2 Commits

Author SHA1 Message Date
04f9c9252a ... 2025-11-04 10:15:06 +01:00
c2d45917ce clean up d3_json 2025-10-31 09:38:41 +01:00
168 changed files with 7965 additions and 16703 deletions

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@ -16,5 +16,3 @@ POSTGRES_PORT=
# MAIL # MAIL
EMAIL_HOST_USER= EMAIL_HOST_USER=
EMAIL_HOST_PASSWORD= EMAIL_HOST_PASSWORD=
# MATOMO
MATOMO_SITE_ID

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@ -1,116 +0,0 @@
name: CI
on:
pull_request:
branches:
- develop
workflow_dispatch:
jobs:
test:
runs-on: ubuntu-latest
services:
postgres:
image: postgres:16
env:
POSTGRES_USER: ${{ vars.POSTGRES_USER }}
POSTGRES_PASSWORD: ${{ secrets.POSTGRES_PASSWORD }}
POSTGRES_DB: ${{ vars.POSTGRES_DB }}
ports:
- ${{ vars.POSTGRES_PORT}}:5432
options: >-
--health-cmd="pg_isready -U postgres"
--health-interval=10s
--health-timeout=5s
--health-retries=5
#redis:
# image: redis:7
# ports:
# - 6379:6379
# options: >-
# --health-cmd "redis-cli ping"
# --health-interval=10s
# --health-timeout=5s
# --health-retries=5
env:
RUNNER_TOOL_CACHE: /toolcache
EP_DATA_DIR: /opt/enviPy/
ALLOWED_HOSTS: 127.0.0.1,localhost
DEBUG: True
LOG_LEVEL: DEBUG
MODEL_BUILDING_ENABLED: True
APPLICABILITY_DOMAIN_ENABLED: True
ENVIFORMER_PRESENT: True
ENVIFORMER_DEVICE: cpu
FLAG_CELERY_PRESENT: False
PLUGINS_ENABLED: True
SERVER_URL: http://localhost:8000
ADMIN_APPROVAL_REQUIRED: True
REGISTRATION_MANDATORY: True
LOG_DIR: ''
# DB
POSTGRES_SERVICE_NAME: postgres
POSTGRES_DB: ${{ vars.POSTGRES_DB }}
POSTGRES_USER: ${{ vars.POSTGRES_USER }}
POSTGRES_PASSWORD: ${{ secrets.POSTGRES_PASSWORD }}
POSTGRES_PORT: 5432
# SENTRY
SENTRY_ENABLED: False
# MS ENTRA
MS_ENTRA_ENABLED: False
steps:
- name: Checkout repository
uses: actions/checkout@v4
- name: Install system tools via apt
run: |
sudo apt-get update
sudo apt-get install -y postgresql-client redis-tools openjdk-11-jre-headless
- name: Setup ssh
run: |
echo "${{ secrets.ENVIPY_CI_PRIVATE_KEY }}" > ~/.ssh/id_ed25519
chmod 600 ~/.ssh/id_ed25519
ssh-keyscan git.envipath.com >> ~/.ssh/known_hosts
eval $(ssh-agent -s)
ssh-add ~/.ssh/id_ed25519
- name: Install pnpm
uses: pnpm/action-setup@v4
with:
version: 10
- name: Use Node.js
uses: actions/setup-node@v4
with:
node-version: 20
cache: "pnpm"
- name: Install uv
uses: astral-sh/setup-uv@v6
with:
enable-cache: true
- name: Setup venv
run: |
uv sync --locked --all-extras --dev
- name: Wait for services
run: |
until pg_isready -h postgres -U postgres; do sleep 2; done
# until redis-cli -h redis ping; do sleep 2; done
- name: Run Django Migrations
run: |
source .venv/bin/activate
python manage.py migrate --noinput
- name: Run Django tests
run: |
source .venv/bin/activate
python manage.py test tests --exclude-tag slow

5
.gitignore vendored
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@ -10,8 +10,3 @@ scratches/
data/ data/
.DS_Store .DS_Store
node_modules/
static/css/output.css
*.code-workspace

View File

@ -8,7 +8,6 @@ repos:
- id: end-of-file-fixer - id: end-of-file-fixer
- id: check-yaml - id: check-yaml
- id: check-added-large-files - id: check-added-large-files
exclude: ^static/images/
- repo: https://github.com/astral-sh/ruff-pre-commit - repo: https://github.com/astral-sh/ruff-pre-commit
rev: v0.13.3 rev: v0.13.3
@ -21,15 +20,6 @@ repos:
- id: ruff-format - id: ruff-format
types_or: [python, pyi] types_or: [python, pyi]
- repo: local
hooks:
- id: prettier-jinja-templates
name: Format Jinja templates with Prettier
entry: pnpm exec prettier --plugin=prettier-plugin-jinja-template --parser=jinja-template --write
language: system
types: [file]
files: ^templates/.*\.html$
# - repo: local # - repo: local
# hooks: # hooks:
# - id: django-check # - id: django-check

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@ -1,11 +0,0 @@
{
"plugins": ["prettier-plugin-jinja-template", "prettier-plugin-tailwindcss"],
"overrides": [
{
"files": "templates/**/*.html",
"options": {
"parser": "jinja-template"
}
}
]
}

View File

@ -7,13 +7,11 @@ These instructions will guide you through setting up the project for local devel
### Prerequisites ### Prerequisites
- Python 3.11 or later - Python 3.11 or later
- [uv](https://github.com/astral-sh/uv) - Python package manager - [uv](https://github.com/astral-sh/uv) - A fast Python package installer and resolver.
- **Docker and Docker Compose** - Required for running PostgreSQL database - **Docker and Docker Compose** - Required for running the PostgreSQL database.
- Git - Git
- Make
> **Note:** This application requires PostgreSQL (uses `ArrayField`). Docker is the easiest way to run PostgreSQL locally.
> **Note:** This application requires PostgreSQL, which uses `ArrayField`. Docker is the recommended way to run PostgreSQL locally.
### 1. Install Dependencies ### 1. Install Dependencies
@ -25,12 +23,7 @@ Then, sync the project dependencies. This will create a virtual environment in `
uv sync --dev uv sync --dev
``` ```
Note on RDkit installation: if you have rdkit installed on your system globally with a different version of python, the installation will try to link against that and subsequent calls fail. Only option remove global rdkit and rerun sync. > **Note on RDkit:** If you have a different version of rdkit installed globally, the dependency installation may fail. If this happens, please uninstall the global version and run `uv sync` again.
---
The frontend requires `pnpm` to correctly display in development.
[Install it here](https://pnpm.io/installation).
### 2. Set Up Environment File ### 2. Set Up Environment File
@ -51,7 +44,6 @@ uv run poe setup
``` ```
This single command will: This single command will:
1. Start the PostgreSQL database using Docker Compose. 1. Start the PostgreSQL database using Docker Compose.
2. Run database migrations. 2. Run database migrations.
3. Bootstrap initial data (anonymous user, default packages, models). 3. Bootstrap initial data (anonymous user, default packages, models).
@ -62,12 +54,9 @@ After setup, start the development server:
uv run poe dev uv run poe dev
``` ```
This will start the css-watcher as well as the django-development server,
The application will be available at `http://localhost:8000`. The application will be available at `http://localhost:8000`.
**Note:** The development server automatically starts a CSS watcher (`pnpm run dev`) alongside the Django server to rebuild CSS files when changes are detected. This ensures your styles are always up-to-date during development. #### Other useful Poe commands:
#### Other useful Poe commands
You can list all available commands by running `uv run poe --help`. You can list all available commands by running `uv run poe --help`.
@ -77,7 +66,6 @@ uv run poe db-down # Stop PostgreSQL
uv run poe migrate # Run migrations only uv run poe migrate # Run migrations only
uv run poe bootstrap # Bootstrap data only uv run poe bootstrap # Bootstrap data only
uv run poe shell # Open the Django shell uv run poe shell # Open the Django shell
uv run poe build # Build frontend assets and collect static files
uv run poe clean # Remove database volumes (WARNING: destroys all data) uv run poe clean # Remove database volumes (WARNING: destroys all data)
``` ```

View File

@ -87,14 +87,11 @@ TEMPLATES = [
"django.template.context_processors.request", "django.template.context_processors.request",
"django.contrib.auth.context_processors.auth", "django.contrib.auth.context_processors.auth",
"django.contrib.messages.context_processors.messages", "django.contrib.messages.context_processors.messages",
"epdb.context_processors.package_context",
], ],
}, },
}, },
] ]
ALLOWED_HTML_TAGS = {"b", "i", "u", "br", "em", "mark", "p", "s", "strong"}
WSGI_APPLICATION = "envipath.wsgi.application" WSGI_APPLICATION = "envipath.wsgi.application"
# Database # Database
@ -246,7 +243,6 @@ LOGGING = {
ENVIFORMER_PRESENT = os.environ.get("ENVIFORMER_PRESENT", "False") == "True" ENVIFORMER_PRESENT = os.environ.get("ENVIFORMER_PRESENT", "False") == "True"
ENVIFORMER_DEVICE = os.environ.get("ENVIFORMER_DEVICE", "cpu") ENVIFORMER_DEVICE = os.environ.get("ENVIFORMER_DEVICE", "cpu")
# If celery is not present set always eager to true which will cause delayed tasks to block until finished # If celery is not present set always eager to true which will cause delayed tasks to block until finished
FLAG_CELERY_PRESENT = os.environ.get("FLAG_CELERY_PRESENT", "False") == "True" FLAG_CELERY_PRESENT = os.environ.get("FLAG_CELERY_PRESENT", "False") == "True"
if not FLAG_CELERY_PRESENT: if not FLAG_CELERY_PRESENT:
@ -347,14 +343,6 @@ LOGIN_EXEMPT_URLS = [
"/password_reset/", "/password_reset/",
"/reset/", "/reset/",
"/microsoft/", "/microsoft/",
"/terms",
"/privacy",
"/cookie-policy",
"/about",
"/contact",
"/jobs",
"/cite",
"/legal",
] ]
# MS AD/Entra # MS AD/Entra
@ -369,6 +357,3 @@ if MS_ENTRA_ENABLED:
MS_ENTRA_AUTHORITY = f"https://login.microsoftonline.com/{MS_ENTRA_TENANT_ID}" MS_ENTRA_AUTHORITY = f"https://login.microsoftonline.com/{MS_ENTRA_TENANT_ID}"
MS_ENTRA_REDIRECT_URI = os.environ["MS_REDIRECT_URI"] MS_ENTRA_REDIRECT_URI = os.environ["MS_REDIRECT_URI"]
MS_ENTRA_SCOPES = os.environ.get("MS_SCOPES", "").split(",") MS_ENTRA_SCOPES = os.environ.get("MS_SCOPES", "").split(",")
# Site ID 10 -> beta.envipath.org
MATOMO_SITE_ID = os.environ.get("MATOMO_SITE_ID", "10")

View File

@ -21,7 +21,6 @@ from .models import (
ExternalDatabase, ExternalDatabase,
ExternalIdentifier, ExternalIdentifier,
JobLog, JobLog,
License,
) )
@ -63,10 +62,6 @@ class EnviFormerAdmin(EPAdmin):
pass pass
class LicenseAdmin(admin.ModelAdmin):
list_display = ["cc_string", "link", "image_link"]
class CompoundAdmin(EPAdmin): class CompoundAdmin(EPAdmin):
pass pass
@ -123,7 +118,6 @@ admin.site.register(JobLog, JobLogAdmin)
admin.site.register(Package, PackageAdmin) admin.site.register(Package, PackageAdmin)
admin.site.register(MLRelativeReasoning, MLRelativeReasoningAdmin) admin.site.register(MLRelativeReasoning, MLRelativeReasoningAdmin)
admin.site.register(EnviFormer, EnviFormerAdmin) admin.site.register(EnviFormer, EnviFormerAdmin)
admin.site.register(License, LicenseAdmin)
admin.site.register(Compound, CompoundAdmin) admin.site.register(Compound, CompoundAdmin)
admin.site.register(CompoundStructure, CompoundStructureAdmin) admin.site.register(CompoundStructure, CompoundStructureAdmin)
admin.site.register(SimpleAmbitRule, SimpleAmbitRuleAdmin) admin.site.register(SimpleAmbitRule, SimpleAmbitRuleAdmin)

View File

@ -1,32 +0,0 @@
"""
Context processors for enviPy application.
Context processors automatically make variables available to all templates.
"""
from .logic import PackageManager
from .models import Package
def package_context(request):
"""
Provides package data for the search modal which is included globally
in framework_modern.html.
Returns:
dict: Context dictionary with reviewed and unreviewed packages
"""
current_user = request.user
reviewed_package_qs = PackageManager.get_reviewed_packages()
unreviewed_package_qs = Package.objects.none()
# Only get user-specific packages if user is authenticated
if current_user.is_authenticated:
unreviewed_package_qs = PackageManager.get_all_readable_packages(current_user)
return {
"reviewed_packages": reviewed_package_qs,
"unreviewed_packages": unreviewed_package_qs,
}

View File

@ -4,7 +4,6 @@ import json
from typing import Union, List, Optional, Set, Dict, Any from typing import Union, List, Optional, Set, Dict, Any
from uuid import UUID from uuid import UUID
import nh3
from django.contrib.auth import get_user_model from django.contrib.auth import get_user_model
from django.db import transaction from django.db import transaction
from django.conf import settings as s from django.conf import settings as s
@ -186,12 +185,6 @@ class UserManager(object):
def create_user( def create_user(
username, email, password, set_setting=True, add_to_group=True, *args, **kwargs username, email, password, set_setting=True, add_to_group=True, *args, **kwargs
): ):
# Clean for potential XSS
clean_username = nh3.clean(username).strip()
clean_email = nh3.clean(email).strip()
if clean_username != username or clean_email != email:
# This will be caught by the try in view.py/register
raise ValueError("Invalid username or password")
# avoid circular import :S # avoid circular import :S
from .tasks import send_registration_mail from .tasks import send_registration_mail
@ -269,9 +262,8 @@ class GroupManager(object):
@staticmethod @staticmethod
def create_group(current_user, name, description): def create_group(current_user, name, description):
g = Group() g = Group()
# Clean for potential XSS g.name = name
g.name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip() g.description = description
g.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip()
g.owner = current_user g.owner = current_user
g.save() g.save()
@ -526,13 +518,8 @@ class PackageManager(object):
@transaction.atomic @transaction.atomic
def create_package(current_user, name: str, description: str = None): def create_package(current_user, name: str, description: str = None):
p = Package() p = Package()
p.name = name
# Clean for potential XSS p.description = description
p.name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip()
if description is not None and description.strip() != "":
p.description = nh3.clean(description.strip(), tags=s.ALLOWED_HTML_TAGS).strip()
p.save() p.save()
up = UserPackagePermission() up = UserPackagePermission()
@ -1107,29 +1094,28 @@ class SettingManager(object):
model: EPModel = None, model: EPModel = None,
model_threshold: float = None, model_threshold: float = None,
): ):
new_s = Setting() s = Setting()
# Clean for potential XSS s.name = name
new_s.name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip() s.description = description
new_s.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip() s.max_nodes = max_nodes
new_s.max_nodes = max_nodes s.max_depth = max_depth
new_s.max_depth = max_depth s.model = model
new_s.model = model s.model_threshold = model_threshold
new_s.model_threshold = model_threshold
new_s.save() s.save()
if rule_packages is not None: if rule_packages is not None:
for r in rule_packages: for r in rule_packages:
new_s.rule_packages.add(r) s.rule_packages.add(r)
new_s.save() s.save()
usp = UserSettingPermission() usp = UserSettingPermission()
usp.user = user usp.user = user
usp.setting = new_s usp.setting = s
usp.permission = Permission.ALL[0] usp.permission = Permission.ALL[0]
usp.save() usp.save()
return new_s return s
@staticmethod @staticmethod
def get_default_setting(user: User): def get_default_setting(user: User):
@ -1558,7 +1544,7 @@ class SPathway(object):
if self.prediction_setting.model.app_domain: if self.prediction_setting.model.app_domain:
app_domain_assessment = self.prediction_setting.model.app_domain.assess( app_domain_assessment = self.prediction_setting.model.app_domain.assess(
sub.smiles sub.smiles
) )[0]
if self.persist is not None: if self.persist is not None:
n = self.snode_persist_lookup[sub] n = self.snode_persist_lookup[sub]
@ -1591,7 +1577,9 @@ class SPathway(object):
if self.prediction_setting.model: if self.prediction_setting.model:
if self.prediction_setting.model.app_domain: if self.prediction_setting.model.app_domain:
app_domain_assessment = ( app_domain_assessment = (
self.prediction_setting.model.app_domain.assess(c) self.prediction_setting.model.app_domain.assess(c)[
0
]
) )
self.smiles_to_node[c] = SNode( self.smiles_to_node[c] = SNode(

View File

@ -12,16 +12,10 @@ from epdb.models import (
Permission, Permission,
User, User,
ExternalDatabase, ExternalDatabase,
License,
) )
class Command(BaseCommand): class Command(BaseCommand):
def add_arguments(self, parser):
parser.add_argument(
"-ol", "--only-licenses", action="store_true", help="Only create licenses."
)
def create_users(self): def create_users(self):
# Anonymous User # Anonymous User
if not User.objects.filter(email="anon@envipath.com").exists(): if not User.objects.filter(email="anon@envipath.com").exists():
@ -89,17 +83,6 @@ class Command(BaseCommand):
return anon, admin, g, user0 return anon, admin, g, user0
def create_licenses(self):
"""Create the six default licenses supported by enviPath"""
cc_strings = ["by", "by-nc", "by-nc-nd", "by-nc-sa", "by-nd", "by-sa"]
for cc_string in cc_strings:
if not License.objects.filter(cc_string=cc_string).exists():
new_license = License()
new_license.cc_string = cc_string
new_license.link = f"https://creativecommons.org/licenses/{cc_string}/4.0/"
new_license.image_link = f"https://licensebuttons.net/l/{cc_string}/4.0/88x31.png"
new_license.save()
def import_package(self, data, owner): def import_package(self, data, owner):
return PackageManager.import_legacy_package( return PackageManager.import_legacy_package(
data, owner, keep_ids=True, add_import_timestamp=False, trust_reviewed=True data, owner, keep_ids=True, add_import_timestamp=False, trust_reviewed=True
@ -174,10 +157,6 @@ class Command(BaseCommand):
@transaction.atomic @transaction.atomic
def handle(self, *args, **options): def handle(self, *args, **options):
# Create licenses
self.create_licenses()
if options.get("only_licenses", False):
return
# Create users # Create users
anon, admin, g, user0 = self.create_users() anon, admin, g, user0 = self.create_users()

View File

@ -1,18 +0,0 @@
# Generated by Django 5.2.7 on 2025-11-11 14:11
from django.db import migrations, models
class Migration(migrations.Migration):
dependencies = [
("epdb", "0009_joblog"),
]
operations = [
migrations.AddField(
model_name="license",
name="cc_string",
field=models.TextField(default="by-nc-sa", verbose_name="CC string"),
preserve_default=False,
),
]

View File

@ -1,59 +0,0 @@
# Generated by Django 5.2.7 on 2025-11-11 14:13
import re
from django.contrib.postgres.aggregates import ArrayAgg
from django.db import migrations
from django.db.models import Min
def set_cc(apps, schema_editor):
License = apps.get_model("epdb", "License")
# For all existing licenses extract cc_string from link
for license in License.objects.all():
pattern = r"/licenses/([^/]+)/4\.0"
match = re.search(pattern, license.link)
if match:
license.cc_string = match.group(1)
license.save()
else:
raise ValueError(f"Could not find license for {license.link}")
# Ensure we have all licenses
cc_strings = ["by", "by-nc", "by-nc-nd", "by-nc-sa", "by-nd", "by-sa"]
for cc_string in cc_strings:
if not License.objects.filter(cc_string=cc_string).exists():
new_license = License()
new_license.cc_string = cc_string
new_license.link = f"https://creativecommons.org/licenses/{cc_string}/4.0/"
new_license.image_link = f"https://licensebuttons.net/l/{cc_string}/4.0/88x31.png"
new_license.save()
# As we might have existing Licenses representing the same License,
# get min pk and all pks as a list
license_lookup_qs = License.objects.values("cc_string").annotate(
lowest_pk=Min("id"), all_pks=ArrayAgg("id", order_by=("id",))
)
license_lookup = {
row["cc_string"]: (row["lowest_pk"], row["all_pks"]) for row in license_lookup_qs
}
Packages = apps.get_model("epdb", "Package")
for k, v in license_lookup.items():
# Set min pk to all packages pointing to any of the duplicates
Packages.objects.filter(pk__in=v[1]).update(license_id=v[0])
# remove the min pk from "other" pks as we use them for deletion
v[1].remove(v[0])
# Delete redundant License objects
License.objects.filter(pk__in=v[1]).delete()
class Migration(migrations.Migration):
dependencies = [
("epdb", "0010_license_cc_string"),
]
operations = [migrations.RunPython(set_cc)]

View File

@ -11,7 +11,6 @@ from typing import Union, List, Optional, Dict, Tuple, Set, Any
from uuid import uuid4 from uuid import uuid4
import math import math
import joblib import joblib
import nh3
import numpy as np import numpy as np
from django.conf import settings as s from django.conf import settings as s
from django.contrib.auth.models import AbstractUser from django.contrib.auth.models import AbstractUser
@ -29,14 +28,7 @@ from sklearn.metrics import precision_score, recall_score, jaccard_score
from sklearn.model_selection import ShuffleSplit from sklearn.model_selection import ShuffleSplit
from utilities.chem import FormatConverter, ProductSet, PredictionResult, IndigoUtils from utilities.chem import FormatConverter, ProductSet, PredictionResult, IndigoUtils
from utilities.ml import ( from utilities.ml import Dataset, ApplicabilityDomainPCA, EnsembleClassifierChain, RelativeReasoning
RuleBasedDataset,
ApplicabilityDomainPCA,
EnsembleClassifierChain,
RelativeReasoning,
EnviFormerDataset,
Dataset,
)
logger = logging.getLogger(__name__) logger = logging.getLogger(__name__)
@ -655,7 +647,6 @@ class ScenarioMixin(models.Model):
class License(models.Model): class License(models.Model):
cc_string = models.TextField(blank=False, null=False, verbose_name="CC string")
link = models.URLField(blank=False, null=False, verbose_name="link") link = models.URLField(blank=False, null=False, verbose_name="link")
image_link = models.URLField(blank=False, null=False, verbose_name="Image link") image_link = models.URLField(blank=False, null=False, verbose_name="Image link")
@ -811,16 +802,14 @@ class Compound(EnviPathModel, AliasMixin, ScenarioMixin, ChemicalIdentifierMixin
c = Compound() c = Compound()
c.package = package c.package = package
if name is not None: if name is None or name.strip() == "":
# Clean for potential XSS
name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip()
if name is None or name == "":
name = f"Compound {Compound.objects.filter(package=package).count() + 1}" name = f"Compound {Compound.objects.filter(package=package).count() + 1}"
c.name = name c.name = name
# We have a default here only set the value if it carries some payload # We have a default here only set the value if it carries some payload
if description is not None and description.strip() != "": if description is not None and description.strip() != "":
c.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip() c.description = description.strip()
c.save() c.save()
@ -992,11 +981,11 @@ class CompoundStructure(EnviPathModel, AliasMixin, ScenarioMixin, ChemicalIdenti
raise ValueError("Unpersisted Compound! Persist compound first!") raise ValueError("Unpersisted Compound! Persist compound first!")
cs = CompoundStructure() cs = CompoundStructure()
# Clean for potential XSS
if name is not None: if name is not None:
cs.name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip() cs.name = name
if description is not None: if description is not None:
cs.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip() cs.description = description
cs.smiles = smiles cs.smiles = smiles
cs.compound = compound cs.compound = compound
@ -1198,29 +1187,21 @@ class SimpleAmbitRule(SimpleRule):
r = SimpleAmbitRule() r = SimpleAmbitRule()
r.package = package r.package = package
if name is not None: if name is None or name.strip() == "":
name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip()
if name is None or name == "":
name = f"Rule {Rule.objects.filter(package=package).count() + 1}" name = f"Rule {Rule.objects.filter(package=package).count() + 1}"
r.name = name r.name = name
if description is not None and description.strip() != "": if description is not None and description.strip() != "":
r.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip() r.description = description
r.smirks = smirks r.smirks = smirks
if reactant_filter_smarts is not None and reactant_filter_smarts.strip() != "": if reactant_filter_smarts is not None and reactant_filter_smarts.strip() != "":
if not FormatConverter.is_valid_smarts(reactant_filter_smarts.strip()): r.reactant_filter_smarts = reactant_filter_smarts
raise ValueError(f'Reactant Filter SMARTS "{reactant_filter_smarts}" is invalid!')
else:
r.reactant_filter_smarts = reactant_filter_smarts.strip()
if product_filter_smarts is not None and product_filter_smarts.strip() != "": if product_filter_smarts is not None and product_filter_smarts.strip() != "":
if not FormatConverter.is_valid_smarts(product_filter_smarts.strip()): r.product_filter_smarts = product_filter_smarts
raise ValueError(f'Product Filter SMARTS "{product_filter_smarts}" is invalid!')
else:
r.product_filter_smarts = product_filter_smarts.strip()
r.save() r.save()
return r return r
@ -1421,11 +1402,12 @@ class Reaction(EnviPathModel, AliasMixin, ScenarioMixin, ReactionIdentifierMixin
r = Reaction() r = Reaction()
r.package = package r.package = package
# Clean for potential XSS
if name is not None and name.strip() != "": if name is not None and name.strip() != "":
r.name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip() r.name = name
if description is not None and name.strip() != "": if description is not None and name.strip() != "":
r.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip() r.description = description
r.multi_step = multi_step r.multi_step = multi_step
@ -1591,14 +1573,12 @@ class Pathway(EnviPathModel, AliasMixin, ScenarioMixin):
while len(queue): while len(queue):
current = queue.pop() current = queue.pop()
processed.add(current) processed.add(current)
nodes.append(current.d3_json()) nodes.append(current.d3_json())
for e in self.edges: for e in self.edges.filter(start_nodes=current).distinct():
if current in e.start_nodes.all(): for prod in e.end_nodes.all():
for prod in e.end_nodes.all(): if prod not in queue and prod not in processed:
if prod not in queue and prod not in processed: queue.append(prod)
queue.append(prod)
# We shouldn't lose or make up nodes... # We shouldn't lose or make up nodes...
assert len(nodes) == len(self.nodes) assert len(nodes) == len(self.nodes)
@ -1733,15 +1713,14 @@ class Pathway(EnviPathModel, AliasMixin, ScenarioMixin):
): ):
pw = Pathway() pw = Pathway()
pw.package = package pw.package = package
if name is not None:
# Clean for potential XSS if name is None or name.strip() == "":
name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip()
if name is None or name == "":
name = f"Pathway {Pathway.objects.filter(package=package).count() + 1}" name = f"Pathway {Pathway.objects.filter(package=package).count() + 1}"
pw.name = name pw.name = name
if description is not None and description.strip() != "": if description is not None and description.strip() != "":
pw.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip() pw.description = description
pw.save() pw.save()
try: try:
@ -2036,16 +2015,11 @@ class Edge(EnviPathModel, AliasMixin, ScenarioMixin):
for node in end_nodes: for node in end_nodes:
e.end_nodes.add(node) e.end_nodes.add(node)
# Clean for potential XSS if name is None:
# Cleaning technically not needed as it is also done in Reaction.create, including it here for consistency
if name is not None:
name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip()
if name is None or name == "":
name = f"Reaction {pathway.package.reactions.count() + 1}" name = f"Reaction {pathway.package.reactions.count() + 1}"
if description is None: if description is None:
description = s.DEFAULT_VALUES["description"] description = s.DEFAULT_VALUES["description"]
description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip()
r = Reaction.create( r = Reaction.create(
pathway.package, pathway.package,
@ -2199,7 +2173,7 @@ class PackageBasedModel(EPModel):
applicable_rules = self.applicable_rules applicable_rules = self.applicable_rules
reactions = list(self._get_reactions()) reactions = list(self._get_reactions())
ds = RuleBasedDataset.generate_dataset(reactions, applicable_rules, educts_only=True) ds = Dataset.generate_dataset(reactions, applicable_rules, educts_only=True)
end = datetime.now() end = datetime.now()
logger.debug(f"build_dataset took {(end - start).total_seconds()} seconds") logger.debug(f"build_dataset took {(end - start).total_seconds()} seconds")
@ -2208,7 +2182,7 @@ class PackageBasedModel(EPModel):
ds.save(f) ds.save(f)
return ds return ds
def load_dataset(self) -> "Dataset | RuleBasedDataset | EnviFormerDataset": def load_dataset(self) -> "Dataset":
ds_path = os.path.join(s.MODEL_DIR, f"{self.uuid}_ds.pkl") ds_path = os.path.join(s.MODEL_DIR, f"{self.uuid}_ds.pkl")
return Dataset.load(ds_path) return Dataset.load(ds_path)
@ -2249,7 +2223,7 @@ class PackageBasedModel(EPModel):
self.model_status = self.BUILT_NOT_EVALUATED self.model_status = self.BUILT_NOT_EVALUATED
self.save() self.save()
def evaluate_model(self, multigen: bool, eval_packages: List["Package"] = None, **kwargs): def evaluate_model(self, multigen: bool, eval_packages: List["Package"] = None):
if self.model_status != self.BUILT_NOT_EVALUATED: if self.model_status != self.BUILT_NOT_EVALUATED:
raise ValueError(f"Can't evaluate a model in state {self.model_status}!") raise ValueError(f"Can't evaluate a model in state {self.model_status}!")
@ -2367,39 +2341,37 @@ class PackageBasedModel(EPModel):
eval_reactions = list( eval_reactions = list(
Reaction.objects.filter(package__in=self.eval_packages.all()).distinct() Reaction.objects.filter(package__in=self.eval_packages.all()).distinct()
) )
ds = RuleBasedDataset.generate_dataset( ds = Dataset.generate_dataset(eval_reactions, self.applicable_rules, educts_only=True)
eval_reactions, self.applicable_rules, educts_only=True
)
if isinstance(self, RuleBasedRelativeReasoning): if isinstance(self, RuleBasedRelativeReasoning):
X = ds.X(exclude_id_col=False, na_replacement=None).to_numpy() X = np.array(ds.X(exclude_id_col=False, na_replacement=None))
y = ds.y(na_replacement=np.nan).to_numpy() y = np.array(ds.y(na_replacement=np.nan))
else: else:
X = ds.X(na_replacement=np.nan).to_numpy() X = np.array(ds.X(na_replacement=np.nan))
y = ds.y(na_replacement=np.nan).to_numpy() y = np.array(ds.y(na_replacement=np.nan))
single_gen_result = evaluate_sg(self.model, X, y, np.arange(len(X)), self.threshold) single_gen_result = evaluate_sg(self.model, X, y, np.arange(len(X)), self.threshold)
self.eval_results = self.compute_averages([single_gen_result]) self.eval_results = self.compute_averages([single_gen_result])
else: else:
ds = self.load_dataset() ds = self.load_dataset()
if isinstance(self, RuleBasedRelativeReasoning): if isinstance(self, RuleBasedRelativeReasoning):
X = ds.X(exclude_id_col=False, na_replacement=None).to_numpy() X = np.array(ds.X(exclude_id_col=False, na_replacement=None))
y = ds.y(na_replacement=np.nan).to_numpy() y = np.array(ds.y(na_replacement=np.nan))
else: else:
X = ds.X(na_replacement=np.nan).to_numpy() X = np.array(ds.X(na_replacement=np.nan))
y = ds.y(na_replacement=np.nan).to_numpy() y = np.array(ds.y(na_replacement=np.nan))
n_splits = kwargs.get("n_splits", 20) n_splits = 20
shuff = ShuffleSplit(n_splits=n_splits, test_size=0.25, random_state=42) shuff = ShuffleSplit(n_splits=n_splits, test_size=0.25, random_state=42)
splits = list(shuff.split(X)) splits = list(shuff.split(X))
from joblib import Parallel, delayed from joblib import Parallel, delayed
models = Parallel(n_jobs=min(10, len(splits)))( models = Parallel(n_jobs=10)(
delayed(train_func)(X, y, train_index, self._model_args()) delayed(train_func)(X, y, train_index, self._model_args())
for train_index, _ in splits for train_index, _ in splits
) )
evaluations = Parallel(n_jobs=min(10, len(splits)))( evaluations = Parallel(n_jobs=10)(
delayed(evaluate_sg)(model, X, y, test_index, self.threshold) delayed(evaluate_sg)(model, X, y, test_index, self.threshold)
for model, (_, test_index) in zip(models, splits) for model, (_, test_index) in zip(models, splits)
) )
@ -2567,15 +2539,14 @@ class RuleBasedRelativeReasoning(PackageBasedModel):
): ):
rbrr = RuleBasedRelativeReasoning() rbrr = RuleBasedRelativeReasoning()
rbrr.package = package rbrr.package = package
if name is not None:
# Clean for potential XSS if name is None or name.strip() == "":
name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip()
if name is None or name == "":
name = f"RuleBasedRelativeReasoning {RuleBasedRelativeReasoning.objects.filter(package=package).count() + 1}" name = f"RuleBasedRelativeReasoning {RuleBasedRelativeReasoning.objects.filter(package=package).count() + 1}"
rbrr.name = name rbrr.name = name
if description is not None and description.strip() != "": if description is not None and description.strip() != "":
rbrr.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip() rbrr.description = description
if threshold is None or (threshold <= 0 or 1 <= threshold): if threshold is None or (threshold <= 0 or 1 <= threshold):
raise ValueError("Threshold must be a float between 0 and 1.") raise ValueError("Threshold must be a float between 0 and 1.")
@ -2612,11 +2583,11 @@ class RuleBasedRelativeReasoning(PackageBasedModel):
return rbrr return rbrr
def _fit_model(self, ds: RuleBasedDataset): def _fit_model(self, ds: Dataset):
X, y = ds.X(exclude_id_col=False, na_replacement=None), ds.y(na_replacement=None) X, y = ds.X(exclude_id_col=False, na_replacement=None), ds.y(na_replacement=None)
model = RelativeReasoning( model = RelativeReasoning(
start_index=ds.triggered()[0], start_index=ds.triggered()[0],
end_index=ds.triggered()[-1], end_index=ds.triggered()[1],
) )
model.fit(X, y) model.fit(X, y)
return model return model
@ -2626,7 +2597,7 @@ class RuleBasedRelativeReasoning(PackageBasedModel):
return { return {
"clz": "RuleBaseRelativeReasoning", "clz": "RuleBaseRelativeReasoning",
"start_index": ds.triggered()[0], "start_index": ds.triggered()[0],
"end_index": ds.triggered()[-1], "end_index": ds.triggered()[1],
} }
def _save_model(self, model): def _save_model(self, model):
@ -2672,15 +2643,14 @@ class MLRelativeReasoning(PackageBasedModel):
): ):
mlrr = MLRelativeReasoning() mlrr = MLRelativeReasoning()
mlrr.package = package mlrr.package = package
if name is not None:
# Clean for potential XSS if name is None or name.strip() == "":
name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip()
if name is None or name == "":
name = f"MLRelativeReasoning {MLRelativeReasoning.objects.filter(package=package).count() + 1}" name = f"MLRelativeReasoning {MLRelativeReasoning.objects.filter(package=package).count() + 1}"
mlrr.name = name mlrr.name = name
if description is not None and description.strip() != "": if description is not None and description.strip() != "":
mlrr.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip() mlrr.description = description
if threshold is None or (threshold <= 0 or 1 <= threshold): if threshold is None or (threshold <= 0 or 1 <= threshold):
raise ValueError("Threshold must be a float between 0 and 1.") raise ValueError("Threshold must be a float between 0 and 1.")
@ -2715,11 +2685,11 @@ class MLRelativeReasoning(PackageBasedModel):
return mlrr return mlrr
def _fit_model(self, ds: RuleBasedDataset): def _fit_model(self, ds: Dataset):
X, y = ds.X(na_replacement=np.nan), ds.y(na_replacement=np.nan) X, y = ds.X(na_replacement=np.nan), ds.y(na_replacement=np.nan)
model = EnsembleClassifierChain(**s.DEFAULT_MODEL_PARAMS) model = EnsembleClassifierChain(**s.DEFAULT_MODEL_PARAMS)
model.fit(X.to_numpy(), y.to_numpy()) model.fit(X, y)
return model return model
def _model_args(self): def _model_args(self):
@ -2742,7 +2712,7 @@ class MLRelativeReasoning(PackageBasedModel):
start = datetime.now() start = datetime.now()
ds = self.load_dataset() ds = self.load_dataset()
classify_ds, classify_prods = ds.classification_dataset([smiles], self.applicable_rules) classify_ds, classify_prods = ds.classification_dataset([smiles], self.applicable_rules)
pred = self.model.predict_proba(classify_ds.X().to_numpy()) pred = self.model.predict_proba(classify_ds.X())
res = MLRelativeReasoning.combine_products_and_probs( res = MLRelativeReasoning.combine_products_and_probs(
self.applicable_rules, pred[0], classify_prods[0] self.applicable_rules, pred[0], classify_prods[0]
@ -2787,9 +2757,7 @@ class ApplicabilityDomain(EnviPathModel):
@cached_property @cached_property
def training_set_probs(self): def training_set_probs(self):
ds = self.model.load_dataset() return joblib.load(os.path.join(s.MODEL_DIR, f"{self.model.uuid}_train_probs.pkl"))
col_ids = ds.block_indices("prob")
return ds[:, col_ids]
def build(self): def build(self):
ds = self.model.load_dataset() ds = self.model.load_dataset()
@ -2797,9 +2765,9 @@ class ApplicabilityDomain(EnviPathModel):
start = datetime.now() start = datetime.now()
# Get Trainingset probs and dump them as they're required when using the app domain # Get Trainingset probs and dump them as they're required when using the app domain
probs = self.model.model.predict_proba(ds.X().to_numpy()) probs = self.model.model.predict_proba(ds.X())
ds.add_probs(probs) f = os.path.join(s.MODEL_DIR, f"{self.model.uuid}_train_probs.pkl")
ds.save(os.path.join(s.MODEL_DIR, f"{self.model.uuid}_ds.pkl")) joblib.dump(probs, f)
ad = ApplicabilityDomainPCA(num_neighbours=self.num_neighbours) ad = ApplicabilityDomainPCA(num_neighbours=self.num_neighbours)
ad.build(ds) ad.build(ds)
@ -2822,20 +2790,15 @@ class ApplicabilityDomain(EnviPathModel):
joblib.dump(ad, f) joblib.dump(ad, f)
def assess(self, structure: Union[str, "CompoundStructure"]): def assess(self, structure: Union[str, "CompoundStructure"]):
return self.assess_batch([structure])[0]
def assess_batch(self, structures: List["CompoundStructure | str"]):
ds = self.model.load_dataset() ds = self.model.load_dataset()
smiles = [] if isinstance(structure, CompoundStructure):
for struct in structures: smiles = structure.smiles
if isinstance(struct, CompoundStructure): else:
smiles.append(structures.smiles) smiles = structure
else:
smiles.append(structures)
assessment_ds, assessment_prods = ds.classification_dataset( assessment_ds, assessment_prods = ds.classification_dataset(
structures, self.model.applicable_rules [structure], self.model.applicable_rules
) )
# qualified_neighbours_per_rule is a nested dictionary structured as: # qualified_neighbours_per_rule is a nested dictionary structured as:
@ -2849,61 +2812,82 @@ class ApplicabilityDomain(EnviPathModel):
# it identifies all training structures that have the same trigger reaction activated (i.e., value 1). # it identifies all training structures that have the same trigger reaction activated (i.e., value 1).
# This is used to find "qualified neighbours" — training examples that share the same triggered feature # This is used to find "qualified neighbours" — training examples that share the same triggered feature
# with a given assessment structure under a particular rule. # with a given assessment structure under a particular rule.
qualified_neighbours_per_rule: Dict = {} qualified_neighbours_per_rule: Dict[int, Dict[int, List[int]]] = defaultdict(
lambda: defaultdict(list)
)
import polars as pl for rule_idx, feature_index in enumerate(range(*assessment_ds.triggered())):
feature = ds.columns[feature_index]
if feature.startswith("trig_"):
# TODO unroll loop
for i, cx in enumerate(assessment_ds.X(exclude_id_col=False)):
if int(cx[feature_index]) == 1:
for j, tx in enumerate(ds.X(exclude_id_col=False)):
if int(tx[feature_index]) == 1:
qualified_neighbours_per_rule[i][rule_idx].append(j)
# Select only the triggered columns probs = self.training_set_probs
for i, row in enumerate(assessment_ds[:, assessment_ds.triggered()].iter_rows(named=True)): # preds = self.model.model.predict_proba(assessment_ds.X())
# Find the rules the structure triggers. For each rule, filter the training dataset to rows that also
# trigger that rule.
train_trig = {
trig_uuid.split("_")[-1]: ds.filter(pl.col(trig_uuid).eq(1))
for trig_uuid, value in row.items()
if value == 1
}
qualified_neighbours_per_rule[i] = train_trig
rule_to_i = {str(r.uuid): i for i, r in enumerate(self.model.applicable_rules)}
preds = self.model.combine_products_and_probs( preds = self.model.combine_products_and_probs(
self.model.applicable_rules, self.model.applicable_rules,
self.model.model.predict_proba(assessment_ds.X().to_numpy())[0], self.model.model.predict_proba(assessment_ds.X())[0],
assessment_prods[0], assessment_prods[0],
) )
assessments = list() assessments = list()
# loop through our assessment dataset # loop through our assessment dataset
for i, instance in enumerate(assessment_ds[:, assessment_ds.struct_features()]): for i, instance in enumerate(assessment_ds):
rule_reliabilities = dict() rule_reliabilities = dict()
local_compatibilities = dict() local_compatibilities = dict()
neighbours_per_rule = dict() neighbours_per_rule = dict()
neighbor_probs_per_rule = dict() neighbor_probs_per_rule = dict()
# loop through rule indices together with the collected neighbours indices from train dataset # loop through rule indices together with the collected neighbours indices from train dataset
for rule_uuid, train_instances in qualified_neighbours_per_rule[i].items(): for rule_idx, vals in qualified_neighbours_per_rule[i].items():
# compute tanimoto distance for all neighbours and add to dataset # collect the train dataset instances and store it along with the index (a.k.a. row number) of the
# train dataset
train_instances = []
for v in vals:
train_instances.append((v, ds.at(v)))
# sf is a tuple with start/end index of the features
sf = ds.struct_features()
# compute tanimoto distance for all neighbours
# result ist a list of tuples with train index and computed distance
dists = self._compute_distances( dists = self._compute_distances(
assessment_ds[i, assessment_ds.struct_features()].to_numpy()[0], instance.X()[0][sf[0] : sf[1]],
train_instances[:, train_instances.struct_features()].to_numpy(), [ti[1].X()[0][sf[0] : sf[1]] for ti in train_instances],
) )
train_instances = train_instances.with_columns(dist=pl.Series(dists))
dists_with_index = list()
for ti, dist in zip(train_instances, dists):
dists_with_index.append((ti[0], dist[1]))
# sort them in a descending way and take at most `self.num_neighbours` # sort them in a descending way and take at most `self.num_neighbours`
# TODO: Should this be descending? If we want the most similar then we want values close to zero (ascending) dists_with_index = sorted(dists_with_index, key=lambda x: x[1], reverse=True)
train_instances = train_instances.sort("dist", descending=True)[ dists_with_index = dists_with_index[: self.num_neighbours]
: self.num_neighbours
]
# compute average distance # compute average distance
rule_reliabilities[rule_uuid] = ( rule_reliabilities[rule_idx] = (
train_instances.select(pl.mean("dist")).fill_nan(0.0).item() sum([d[1] for d in dists_with_index]) / len(dists_with_index)
if len(dists_with_index) > 0
else 0.0
) )
# for local_compatibility we'll need the datasets for the indices having the highest similarity # for local_compatibility we'll need the datasets for the indices having the highest similarity
local_compatibilities[rule_uuid] = self._compute_compatibility( neighbour_datasets = [(d[0], ds.at(d[0])) for d in dists_with_index]
rule_uuid, train_instances local_compatibilities[rule_idx] = self._compute_compatibility(
rule_idx, probs, neighbour_datasets
) )
neighbours_per_rule[rule_uuid] = list( neighbours_per_rule[rule_idx] = [
CompoundStructure.objects.filter(uuid__in=train_instances["structure_id"]) CompoundStructure.objects.get(uuid=ds[1].structure_id())
) for ds in neighbour_datasets
neighbor_probs_per_rule[rule_uuid] = train_instances[f"prob_{rule_uuid}"].to_list() ]
neighbor_probs_per_rule[rule_idx] = [
probs[d[0]][rule_idx] for d in dists_with_index
]
ad_res = { ad_res = {
"ad_params": { "ad_params": {
@ -2914,21 +2898,23 @@ class ApplicabilityDomain(EnviPathModel):
"local_compatibility_threshold": self.local_compatibilty_threshold, "local_compatibility_threshold": self.local_compatibilty_threshold,
}, },
"assessment": { "assessment": {
"smiles": smiles[i], "smiles": smiles,
"inside_app_domain": self.pca.is_applicable(assessment_ds[i])[0], "inside_app_domain": self.pca.is_applicable(instance)[0],
}, },
} }
transformations = list() transformations = list()
for rule_uuid in rule_reliabilities.keys(): for rule_idx in rule_reliabilities.keys():
rule = Rule.objects.get(uuid=rule_uuid) rule = Rule.objects.get(
uuid=instance.columns[instance.observed()[0] + rule_idx].replace("obs_", "")
)
rule_data = rule.simple_json() rule_data = rule.simple_json()
rule_data["image"] = f"{rule.url}?image=svg" rule_data["image"] = f"{rule.url}?image=svg"
neighbors = [] neighbors = []
for n, n_prob in zip( for n, n_prob in zip(
neighbours_per_rule[rule_uuid], neighbor_probs_per_rule[rule_uuid] neighbours_per_rule[rule_idx], neighbor_probs_per_rule[rule_idx]
): ):
neighbor = n.simple_json() neighbor = n.simple_json()
neighbor["image"] = f"{n.url}?image=svg" neighbor["image"] = f"{n.url}?image=svg"
@ -2945,14 +2931,14 @@ class ApplicabilityDomain(EnviPathModel):
transformation = { transformation = {
"rule": rule_data, "rule": rule_data,
"reliability": rule_reliabilities[rule_uuid], "reliability": rule_reliabilities[rule_idx],
# We're setting it here to False, as we don't know whether "assess" is called during pathway # We're setting it here to False, as we don't know whether "assess" is called during pathway
# prediction or from Model Page. For persisted Nodes this field will be overwritten at runtime # prediction or from Model Page. For persisted Nodes this field will be overwritten at runtime
"is_predicted": False, "is_predicted": False,
"local_compatibility": local_compatibilities[rule_uuid], "local_compatibility": local_compatibilities[rule_idx],
"probability": preds[rule_to_i[rule_uuid]].probability, "probability": preds[rule_idx].probability,
"transformation_products": [ "transformation_products": [
x.product_set for x in preds[rule_to_i[rule_uuid]].product_sets x.product_set for x in preds[rule_idx].product_sets
], ],
"times_triggered": ds.times_triggered(str(rule.uuid)), "times_triggered": ds.times_triggered(str(rule.uuid)),
"neighbors": neighbors, "neighbors": neighbors,
@ -2970,24 +2956,32 @@ class ApplicabilityDomain(EnviPathModel):
def _compute_distances(classify_instance: List[int], train_instances: List[List[int]]): def _compute_distances(classify_instance: List[int], train_instances: List[List[int]]):
from utilities.ml import tanimoto_distance from utilities.ml import tanimoto_distance
distances = [tanimoto_distance(classify_instance, train) for train in train_instances] distances = [
(i, tanimoto_distance(classify_instance, train))
for i, train in enumerate(train_instances)
]
return distances return distances
def _compute_compatibility(self, rule_idx: int, neighbours: "RuleBasedDataset"): @staticmethod
def _compute_compatibility(rule_idx: int, preds, neighbours: List[Tuple[int, "Dataset"]]):
tp, tn, fp, fn = 0.0, 0.0, 0.0, 0.0
accuracy = 0.0 accuracy = 0.0
import polars as pl
obs_pred = neighbours.select( for n in neighbours:
obs=pl.col(f"obs_{rule_idx}").cast(pl.Boolean), obs = n[1].y()[0][rule_idx]
pred=pl.col(f"prob_{rule_idx}") >= self.model.threshold, pred = preds[n[0]][rule_idx]
) if obs and pred:
# Compute tp, tn, fp, fn using polars expressions tp += 1
tp = obs_pred.filter((pl.col("obs")) & (pl.col("pred"))).height elif not obs and pred:
tn = obs_pred.filter((~pl.col("obs")) & (~pl.col("pred"))).height fp += 1
fp = obs_pred.filter((~pl.col("obs")) & (pl.col("pred"))).height elif obs and not pred:
fn = obs_pred.filter((pl.col("obs")) & (~pl.col("pred"))).height fn += 1
if tp + tn > 0.0: else:
accuracy = (tp + tn) / (tp + tn + fp + fn) tn += 1
# Jaccard Index
if tp + tn > 0.0:
accuracy = (tp + tn) / (tp + tn + fp + fn)
return accuracy return accuracy
@ -3007,15 +3001,14 @@ class EnviFormer(PackageBasedModel):
): ):
mod = EnviFormer() mod = EnviFormer()
mod.package = package mod.package = package
if name is not None:
# Clean for potential XSS if name is None or name.strip() == "":
name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip()
if name is None or name == "":
name = f"EnviFormer {EnviFormer.objects.filter(package=package).count() + 1}" name = f"EnviFormer {EnviFormer.objects.filter(package=package).count() + 1}"
mod.name = name mod.name = name
if description is not None and description.strip() != "": if description is not None and description.strip() != "":
mod.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip() mod.description = description
if threshold is None or (threshold <= 0 or 1 <= threshold): if threshold is None or (threshold <= 0 or 1 <= threshold):
raise ValueError("Threshold must be a float between 0 and 1.") raise ValueError("Threshold must be a float between 0 and 1.")
@ -3089,24 +3082,44 @@ class EnviFormer(PackageBasedModel):
self.save() self.save()
start = datetime.now() start = datetime.now()
ds = EnviFormerDataset.generate_dataset(self._get_reactions()) # Standardise reactions for the training data, EnviFormer ignores stereochemistry currently
co2 = {"C(=O)=O", "O=C=O"}
ds = []
for reaction in self._get_reactions():
educts = ".".join(
[
FormatConverter.standardize(smile.smiles, remove_stereo=True)
for smile in reaction.educts.all()
]
)
products = ".".join(
[
FormatConverter.standardize(smile.smiles, remove_stereo=True)
for smile in reaction.products.all()
]
)
if products not in co2:
ds.append(f"{educts}>>{products}")
end = datetime.now() end = datetime.now()
logger.debug(f"build_dataset took {(end - start).total_seconds()} seconds") logger.debug(f"build_dataset took {(end - start).total_seconds()} seconds")
f = os.path.join(s.MODEL_DIR, f"{self.uuid}_ds.json") f = os.path.join(s.MODEL_DIR, f"{self.uuid}_ds.json")
ds.save(f) with open(f, "w") as d_file:
json.dump(ds, d_file)
return ds return ds
def load_dataset(self): def load_dataset(self) -> "Dataset":
ds_path = os.path.join(s.MODEL_DIR, f"{self.uuid}_ds.json") ds_path = os.path.join(s.MODEL_DIR, f"{self.uuid}_ds.json")
return EnviFormerDataset.load(ds_path) with open(ds_path) as d_file:
ds = json.load(d_file)
return ds
def _fit_model(self, ds): def _fit_model(self, ds):
# Call to enviFormer's fine_tune function and return the model # Call to enviFormer's fine_tune function and return the model
from enviformer.finetune import fine_tune from enviformer.finetune import fine_tune
start = datetime.now() start = datetime.now()
model = fine_tune(ds.X(), ds.y(), s.MODEL_DIR, str(self.uuid), device=s.ENVIFORMER_DEVICE) model = fine_tune(ds, s.MODEL_DIR, str(self.uuid), device=s.ENVIFORMER_DEVICE)
end = datetime.now() end = datetime.now()
logger.debug(f"EnviFormer finetuning took {(end - start).total_seconds():.2f} seconds") logger.debug(f"EnviFormer finetuning took {(end - start).total_seconds():.2f} seconds")
return model return model
@ -3122,7 +3135,7 @@ class EnviFormer(PackageBasedModel):
args = {"clz": "EnviFormer"} args = {"clz": "EnviFormer"}
return args return args
def evaluate_model(self, multigen: bool, eval_packages: List["Package"] = None, **kwargs): def evaluate_model(self, multigen: bool, eval_packages: List["Package"] = None):
if self.model_status != self.BUILT_NOT_EVALUATED: if self.model_status != self.BUILT_NOT_EVALUATED:
raise ValueError(f"Can't evaluate a model in state {self.model_status}!") raise ValueError(f"Can't evaluate a model in state {self.model_status}!")
@ -3137,20 +3150,21 @@ class EnviFormer(PackageBasedModel):
self.model_status = self.EVALUATING self.model_status = self.EVALUATING
self.save() self.save()
def evaluate_sg(test_ds, predictions, model_thresh): def evaluate_sg(test_reactions, predictions, model_thresh):
# Group the true products of reactions with the same reactant together # Group the true products of reactions with the same reactant together
assert len(test_ds) == len(predictions)
true_dict = {} true_dict = {}
for r in test_ds: for r in test_reactions:
reactant, true_product_set = r reactant, true_product_set = r.split(">>")
true_product_set = {p for p in true_product_set.split(".")} true_product_set = {p for p in true_product_set.split(".")}
true_dict[reactant] = true_dict.setdefault(reactant, []) + [true_product_set] true_dict[reactant] = true_dict.setdefault(reactant, []) + [true_product_set]
assert len(test_reactions) == len(predictions)
assert sum(len(v) for v in true_dict.values()) == len(test_reactions)
# Group the predicted products of reactions with the same reactant together # Group the predicted products of reactions with the same reactant together
pred_dict = {} pred_dict = {}
for k, pred in enumerate(predictions): for k, pred in enumerate(predictions):
pred_smiles, pred_proba = zip(*pred.items()) pred_smiles, pred_proba = zip(*pred.items())
reactant, _ = test_ds[k, "educts"], test_ds[k, "products"] reactant, true_product = test_reactions[k].split(">>")
pred_dict.setdefault(reactant, {"predict": [], "scores": []}) pred_dict.setdefault(reactant, {"predict": [], "scores": []})
for smiles, proba in zip(pred_smiles, pred_proba): for smiles, proba in zip(pred_smiles, pred_proba):
smiles = set(smiles.split(".")) smiles = set(smiles.split("."))
@ -3185,7 +3199,7 @@ class EnviFormer(PackageBasedModel):
break break
# Recall is TP (correct) / TP + FN (len(test_reactions)) # Recall is TP (correct) / TP + FN (len(test_reactions))
rec = {f"{k:.2f}": v / len(test_ds) for k, v in correct.items()} rec = {f"{k:.2f}": v / len(test_reactions) for k, v in correct.items()}
# Precision is TP (correct) / TP + FP (predicted) # Precision is TP (correct) / TP + FP (predicted)
prec = { prec = {
f"{k:.2f}": v / predicted[k] if predicted[k] > 0 else 0 for k, v in correct.items() f"{k:.2f}": v / predicted[k] if predicted[k] > 0 else 0 for k, v in correct.items()
@ -3264,35 +3278,47 @@ class EnviFormer(PackageBasedModel):
# If there are eval packages perform single generation evaluation on them instead of random splits # If there are eval packages perform single generation evaluation on them instead of random splits
if self.eval_packages.count() > 0: if self.eval_packages.count() > 0:
ds = EnviFormerDataset.generate_dataset( ds = []
Reaction.objects.filter(package__in=self.eval_packages.all()).distinct() for reaction in Reaction.objects.filter(
) package__in=self.eval_packages.all()
test_result = self.model.predict_batch(ds.X()) ).distinct():
educts = ".".join(
[
FormatConverter.standardize(smile.smiles, remove_stereo=True)
for smile in reaction.educts.all()
]
)
products = ".".join(
[
FormatConverter.standardize(smile.smiles, remove_stereo=True)
for smile in reaction.products.all()
]
)
ds.append(f"{educts}>>{products}")
test_result = self.model.predict_batch([smirk.split(">>")[0] for smirk in ds])
single_gen_result = evaluate_sg(ds, test_result, self.threshold) single_gen_result = evaluate_sg(ds, test_result, self.threshold)
self.eval_results = self.compute_averages([single_gen_result]) self.eval_results = self.compute_averages([single_gen_result])
else: else:
from enviformer.finetune import fine_tune from enviformer.finetune import fine_tune
ds = self.load_dataset() ds = self.load_dataset()
n_splits = kwargs.get("n_splits", 20) n_splits = 20
shuff = ShuffleSplit(n_splits=n_splits, test_size=0.1, random_state=42) shuff = ShuffleSplit(n_splits=n_splits, test_size=0.1, random_state=42)
# Single gen eval is done in one loop of train then evaluate rather than storing all n_splits trained models # Single gen eval is done in one loop of train then evaluate rather than storing all n_splits trained models
# this helps reduce the memory footprint. # this helps reduce the memory footprint.
single_gen_results = [] single_gen_results = []
for split_id, (train_index, test_index) in enumerate(shuff.split(ds)): for split_id, (train_index, test_index) in enumerate(shuff.split(ds)):
train = ds[train_index] train = [ds[i] for i in train_index]
test = ds[test_index] test = [ds[i] for i in test_index]
start = datetime.now() start = datetime.now()
model = fine_tune( model = fine_tune(train, s.MODEL_DIR, str(split_id), device=s.ENVIFORMER_DEVICE)
train.X(), train.y(), s.MODEL_DIR, str(split_id), device=s.ENVIFORMER_DEVICE
)
end = datetime.now() end = datetime.now()
logger.debug( logger.debug(
f"EnviFormer finetuning took {(end - start).total_seconds():.2f} seconds" f"EnviFormer finetuning took {(end - start).total_seconds():.2f} seconds"
) )
model.to(s.ENVIFORMER_DEVICE) model.to(s.ENVIFORMER_DEVICE)
test_result = model.predict_batch(test.X()) test_result = model.predict_batch([smirk.split(">>")[0] for smirk in test])
single_gen_results.append(evaluate_sg(test, test_result, self.threshold)) single_gen_results.append(evaluate_sg(test, test_result, self.threshold))
self.eval_results = self.compute_averages(single_gen_results) self.eval_results = self.compute_averages(single_gen_results)
@ -3371,12 +3397,23 @@ class EnviFormer(PackageBasedModel):
): ):
overlap += 1 overlap += 1
continue continue
train_reactions.append(reaction) educts = ".".join(
train_ds = EnviFormerDataset.generate_dataset(train_reactions) [
FormatConverter.standardize(smile.smiles, remove_stereo=True)
for smile in reaction.educts.all()
]
)
products = ".".join(
[
FormatConverter.standardize(smile.smiles, remove_stereo=True)
for smile in reaction.products.all()
]
)
train_reactions.append(f"{educts}>>{products}")
logging.debug( logging.debug(
f"{overlap} compounds had to be removed from multigen split due to overlap within pathways" f"{overlap} compounds had to be removed from multigen split due to overlap within pathways"
) )
model = fine_tune(train_ds.X(), train_ds.y(), s.MODEL_DIR, f"mg_{split_id}") model = fine_tune(train_reactions, s.MODEL_DIR, f"mg_{split_id}")
multi_gen_results.append(evaluate_mg(model, test_pathways, self.threshold)) multi_gen_results.append(evaluate_mg(model, test_pathways, self.threshold))
self.eval_results.update( self.eval_results.update(
@ -3425,44 +3462,41 @@ class Scenario(EnviPathModel):
scenario_type: str, scenario_type: str,
additional_information: List["EnviPyModel"], additional_information: List["EnviPyModel"],
): ):
new_s = Scenario() s = Scenario()
new_s.package = package s.package = package
if name is not None:
# Clean for potential XSS if name is None or name.strip() == "":
name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip()
if name is None or name == "":
name = f"Scenario {Scenario.objects.filter(package=package).count() + 1}" name = f"Scenario {Scenario.objects.filter(package=package).count() + 1}"
new_s.name = name
s.name = name
if description is not None and description.strip() != "": if description is not None and description.strip() != "":
new_s.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip() s.description = description
if scenario_date is not None and scenario_date.strip() != "": if scenario_date is not None and scenario_date.strip() != "":
new_s.scenario_date = nh3.clean(scenario_date).strip() s.scenario_date = scenario_date
if scenario_type is not None and scenario_type.strip() != "": if scenario_type is not None and scenario_type.strip() != "":
new_s.scenario_type = scenario_type s.scenario_type = scenario_type
add_inf = defaultdict(list) add_inf = defaultdict(list)
for info in additional_information: for info in additional_information:
cls_name = info.__class__.__name__ cls_name = info.__class__.__name__
# Clean for potential XSS hidden in the additional information fields. ai_data = json.loads(info.model_dump_json())
ai_data = json.loads(nh3.clean(info.model_dump_json()).strip())
ai_data["uuid"] = f"{uuid4()}" ai_data["uuid"] = f"{uuid4()}"
add_inf[cls_name].append(ai_data) add_inf[cls_name].append(ai_data)
new_s.additional_information = add_inf s.additional_information = add_inf
new_s.save() s.save()
return new_s return s
@transaction.atomic @transaction.atomic
def add_additional_information(self, data: "EnviPyModel"): def add_additional_information(self, data: "EnviPyModel"):
cls_name = data.__class__.__name__ cls_name = data.__class__.__name__
# Clean for potential XSS hidden in the additional information fields. ai_data = json.loads(data.model_dump_json())
ai_data = json.loads(nh3.clean(data.model_dump_json()).strip())
ai_data["uuid"] = f"{uuid4()}" ai_data["uuid"] = f"{uuid4()}"
if cls_name not in self.additional_information: if cls_name not in self.additional_information:
@ -3497,8 +3531,7 @@ class Scenario(EnviPathModel):
new_ais = defaultdict(list) new_ais = defaultdict(list)
for k, vals in data.items(): for k, vals in data.items():
for v in vals: for v in vals:
# Clean for potential XSS hidden in the additional information fields. ai_data = json.loads(v.model_dump_json())
ai_data = json.loads(nh3.clean(v.model_dump_json()).strip())
if hasattr(v, "uuid"): if hasattr(v, "uuid"):
ai_data["uuid"] = str(v.uuid) ai_data["uuid"] = str(v.uuid)
else: else:

View File

@ -1,15 +1,15 @@
import csv import csv
import io import io
import logging import logging
from datetime import datetime
from typing import Any, Callable, List, Optional from typing import Any, Callable, List, Optional
from uuid import uuid4 from uuid import uuid4
from celery import shared_task from celery import shared_task
from celery.utils.functional import LRUCache from celery.utils.functional import LRUCache
from django.utils import timezone
from epdb.logic import SPathway from epdb.logic import SPathway
from epdb.models import Edge, EPModel, JobLog, Node, Package, Pathway, Rule, Setting, User from epdb.models import EPModel, JobLog, Node, Package, Pathway, Rule, Setting, User, Edge
logger = logging.getLogger(__name__) logger = logging.getLogger(__name__)
ML_CACHE = LRUCache(3) # Cache the three most recent ML models to reduce load times. ML_CACHE = LRUCache(3) # Cache the three most recent ML models to reduce load times.
@ -29,7 +29,7 @@ def dispatch_eager(user: "User", job: Callable, *args, **kwargs):
log.task_id = uuid4() log.task_id = uuid4()
log.job_name = job.__name__ log.job_name = job.__name__
log.status = "SUCCESS" log.status = "SUCCESS"
log.done_at = timezone.now() log.done_at = datetime.now()
log.task_result = str(x) if x else None log.task_result = str(x) if x else None
log.save() log.save()
@ -172,6 +172,7 @@ def predict(
except Exception as e: except Exception as e:
pw.kv.update({"status": "failed"}) pw.kv.update({"status": "failed"})
pw.kv.update(**{"error": str(e)})
pw.save() pw.save()
if JobLog.objects.filter(task_id=self.request.id).exists(): if JobLog.objects.filter(task_id=self.request.id).exists():

View File

@ -48,7 +48,6 @@ urlpatterns = [
re_path(r"^user$", v.users, name="users"), re_path(r"^user$", v.users, name="users"),
re_path(r"^group$", v.groups, name="groups"), re_path(r"^group$", v.groups, name="groups"),
re_path(r"^search$", v.search, name="search"), re_path(r"^search$", v.search, name="search"),
re_path(r"^predict$", v.predict_pathway, name="predict_pathway"),
# User Detail # User Detail
re_path(rf"^user/(?P<user_uuid>{UUID})", v.user, name="user"), re_path(rf"^user/(?P<user_uuid>{UUID})", v.user, name="user"),
# Group Detail # Group Detail
@ -142,11 +141,6 @@ urlpatterns = [
v.package_pathway, v.package_pathway,
name="package pathway detail", name="package pathway detail",
), ),
re_path(
rf"^package/(?P<package_uuid>{UUID})/predict$",
v.package_predict_pathway,
name="package predict pathway",
),
# Pathway Nodes # Pathway Nodes
re_path( re_path(
rf"^package/(?P<package_uuid>{UUID})/pathway/(?P<pathway_uuid>{UUID})/node$", rf"^package/(?P<package_uuid>{UUID})/pathway/(?P<pathway_uuid>{UUID})/node$",
@ -199,13 +193,4 @@ urlpatterns = [
re_path(r"^jobs", v.jobs, name="jobs"), re_path(r"^jobs", v.jobs, name="jobs"),
# OAuth Stuff # OAuth Stuff
path("o/userinfo/", v.userinfo, name="oauth_userinfo"), path("o/userinfo/", v.userinfo, name="oauth_userinfo"),
# Static Pages
re_path(r"^terms$", v.static_terms_of_use, name="terms_of_use"),
re_path(r"^privacy$", v.static_privacy_policy, name="privacy_policy"),
re_path(r"^cookie-policy$", v.static_cookie_policy, name="cookie_policy"),
re_path(r"^about$", v.static_about_us, name="about_us"),
re_path(r"^contact$", v.static_contact_support, name="contact_support"),
re_path(r"^careers$", v.static_careers, name="careers"),
re_path(r"^cite$", v.static_cite, name="cite"),
re_path(r"^legal$", v.static_legal, name="legal"),
] ]

View File

@ -10,7 +10,6 @@ from django.urls import reverse
from django.views.decorators.csrf import csrf_exempt from django.views.decorators.csrf import csrf_exempt
from envipy_additional_information import NAME_MAPPING from envipy_additional_information import NAME_MAPPING
from oauth2_provider.decorators import protected_resource from oauth2_provider.decorators import protected_resource
import nh3
from utilities.chem import FormatConverter, IndigoUtils from utilities.chem import FormatConverter, IndigoUtils
from utilities.decorators import package_permission_required from utilities.decorators import package_permission_required
@ -86,11 +85,7 @@ def login(request):
from django.contrib.auth import authenticate from django.contrib.auth import authenticate
from django.contrib.auth import login from django.contrib.auth import login
username = request.POST.get("username").strip() username = request.POST.get("username")
if username != request.POST.get("username"):
context["message"] = "Login failed!"
return render(request, "static/login.html", context)
password = request.POST.get("password") password = request.POST.get("password")
# Get email for username and check if the account is active # Get email for username and check if the account is active
@ -105,7 +100,6 @@ def login(request):
except get_user_model().DoesNotExist: except get_user_model().DoesNotExist:
context["message"] = "Login failed!" context["message"] = "Login failed!"
return render(request, "static/login.html", context) return render(request, "static/login.html", context)
try: try:
user = authenticate(username=email, password=password) user = authenticate(username=email, password=password)
except Exception: except Exception:
@ -143,14 +137,9 @@ def register(request):
context = get_base_context(request) context = get_base_context(request)
if request.method == "GET": if request.method == "GET":
# Redirect to unified login page with signup tab context["title"] = "enviPath"
next_url = request.GET.get("next", "") context["next"] = request.GET.get("next", "")
redirect_url = reverse("login") + "#signup" return render(request, "static/register.html", context)
if next_url:
redirect_url += f"?next={next_url}"
return redirect(redirect_url)
elif request.method == "POST": elif request.method == "POST":
context["title"] = "enviPath" context["title"] = "enviPath"
if next := request.POST.get("next"): if next := request.POST.get("next"):
@ -163,18 +152,18 @@ def register(request):
if not (username and email and password): if not (username and email and password):
context["message"] = "Invalid username/email/password" context["message"] = "Invalid username/email/password"
return render(request, "static/login.html", context) return render(request, "static/register.html", context)
if password != rpassword or password == "": if password != rpassword or password == "":
context["message"] = "Registration failed, provided passwords differ!" context["message"] = "Registration failed, provided passwords differ!"
return render(request, "static/login.html", context) return render(request, "static/register.html", context)
try: try:
u = UserManager.create_user(username, email, password) u = UserManager.create_user(username, email, password)
logger.info(f"Created user {u.username} ({u.pk})") logger.info(f"Created user {u.username} ({u.pk})")
except Exception: except Exception:
context["message"] = "Registration failed! Couldn't create User Account." context["message"] = "Registration failed! Couldn't create User Account."
return render(request, "static/login.html", context) return render(request, "static/register.html", context)
if s.ADMIN_APPROVAL_REQUIRED: if s.ADMIN_APPROVAL_REQUIRED:
context["success_message"] = ( context["success_message"] = (
@ -248,7 +237,6 @@ def get_base_context(request, for_user=None) -> Dict[str, Any]:
"enabled_features": s.FLAGS, "enabled_features": s.FLAGS,
"debug": s.DEBUG, "debug": s.DEBUG,
"external_databases": ExternalDatabase.get_databases(), "external_databases": ExternalDatabase.get_databases(),
"site_id": s.MATOMO_SITE_ID,
}, },
} }
@ -362,34 +350,6 @@ def index(request):
return render(request, "index/index.html", context) return render(request, "index/index.html", context)
def predict_pathway(request):
"""Top-level predict pathway view using user's default package."""
if request.method != "GET":
return HttpResponseNotAllowed(["GET"])
context = get_base_context(request)
context["title"] = "enviPath - Predict Pathway"
context["meta"]["current_package"] = context["meta"]["user"].default_package
return render(request, "predict_pathway.html", context)
@package_permission_required()
def package_predict_pathway(request, package_uuid):
"""Package-specific predict pathway view."""
if request.method != "GET":
return HttpResponseNotAllowed(["GET"])
current_user = _anonymous_or_real(request)
current_package = PackageManager.get_package_by_id(current_user, package_uuid)
context = get_base_context(request)
context["title"] = f"enviPath - {current_package.name} - Predict Pathway"
context["meta"]["current_package"] = current_package
return render(request, "predict_pathway.html", context)
def packages(request): def packages(request):
current_user = _anonymous_or_real(request) current_user = _anonymous_or_real(request)
@ -709,7 +669,7 @@ def search(request):
if request.method == "GET": if request.method == "GET":
package_urls = request.GET.getlist("packages") package_urls = request.GET.getlist("packages")
searchterm = request.GET.get("search", "").strip() searchterm = request.GET.get("search")
mode = request.GET.get("mode") mode = request.GET.get("mode")
# add HTTP_ACCEPT check to differentiate between index and ajax call # add HTTP_ACCEPT check to differentiate between index and ajax call
@ -931,7 +891,7 @@ def package_model(request, package_uuid, model_uuid):
return JsonResponse(res, safe=False) return JsonResponse(res, safe=False)
else: else:
app_domain_assessment = current_model.app_domain.assess(stand_smiles) app_domain_assessment = current_model.app_domain.assess(stand_smiles)[0]
return JsonResponse(app_domain_assessment, safe=False) return JsonResponse(app_domain_assessment, safe=False)
context = get_base_context(request) context = get_base_context(request)
@ -971,24 +931,12 @@ def package_model(request, package_uuid, model_uuid):
] ]
dispatch(current_user, evaluate_model, current_model.pk, multigen, eval_package_ids) dispatch(current_user, evaluate_model, current_model.pk, multigen, eval_package_ids)
return redirect(current_model.url)
elif hidden == "retrain":
from .tasks import dispatch, retrain
dispatch(current_user, retrain, current_model.pk)
return redirect(current_model.url) return redirect(current_model.url)
else: else:
return HttpResponseBadRequest() return HttpResponseBadRequest()
else: else:
# TODO: Move cleaning to property updater name = request.POST.get("model-name", "").strip()
name = request.POST.get("model-name") description = request.POST.get("model-description", "").strip()
if name is not None:
name = nh3.clean(name, tags=s.ALLOWED_HTML_TAGS).strip()
description = request.POST.get("model-description")
if description is not None:
description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip()
if any([name, description]): if any([name, description]):
if name: if name:
@ -1090,23 +1038,17 @@ def package(request, package_uuid):
else: else:
return HttpResponseBadRequest() return HttpResponseBadRequest()
# TODO: Move cleaning to property updater
new_package_name = request.POST.get("package-name") new_package_name = request.POST.get("package-name")
if new_package_name is not None:
new_package_name = nh3.clean(new_package_name, tags=s.ALLOWED_HTML_TAGS).strip()
new_package_description = request.POST.get("package-description") new_package_description = request.POST.get("package-description")
if new_package_description is not None:
new_package_description = nh3.clean(
new_package_description, tags=s.ALLOWED_HTML_TAGS
).strip()
grantee_url = request.POST.get("grantee") grantee_url = request.POST.get("grantee")
read = request.POST.get("read") == "on" read = request.POST.get("read") == "on"
write = request.POST.get("write") == "on" write = request.POST.get("write") == "on"
owner = request.POST.get("owner") == "on" owner = request.POST.get("owner") == "on"
cc_string = request.POST.get("license") license = request.POST.get("license")
license_link = request.POST.get("license-link")
license_image_link = request.POST.get("license-image-link")
if new_package_name: if new_package_name:
current_package.name = new_package_name current_package.name = new_package_name
@ -1134,15 +1076,24 @@ def package(request, package_uuid):
PackageManager.update_permissions(current_user, current_package, grantee, max_perm) PackageManager.update_permissions(current_user, current_package, grantee, max_perm)
return redirect(current_package.url) return redirect(current_package.url)
elif license is not None:
if license == "no-license":
if current_package.license is not None:
current_package.license.delete()
elif cc_string is not None:
cc_string = cc_string.strip()
if cc_string == "no-license": # Reset the package's license
current_package.license = None current_package.license = None
current_package.save() current_package.save()
return redirect(current_package.url) return redirect(current_package.url)
else: # Get the license and assign it to the package else:
current_package.license = License.objects.get(cc_string=cc_string) if current_package.license is not None:
current_package.license.delete()
license = License()
license.link = license_link
license.image_link = license_image_link
license.save()
current_package.license = license
current_package.save() current_package.save()
return redirect(current_package.url) return redirect(current_package.url)
@ -1250,16 +1201,8 @@ def package_compound(request, package_uuid, compound_uuid):
return JsonResponse({"success": current_compound.url}) return JsonResponse({"success": current_compound.url})
# TODO: Move cleaning to property updater new_compound_name = request.POST.get("compound-name", "").strip()
new_compound_name = request.POST.get("compound-name") new_compound_description = request.POST.get("compound-description", "").strip()
if new_compound_name is not None:
new_compound_name = nh3.clean(new_compound_name, tags=s.ALLOWED_HTML_TAGS).strip()
new_compound_description = request.POST.get("compound-description")
if new_compound_description is not None:
new_compound_description = nh3.clean(
new_compound_description, tags=s.ALLOWED_HTML_TAGS
).strip()
if new_compound_name: if new_compound_name:
current_compound.name = new_compound_name current_compound.name = new_compound_name
@ -1395,16 +1338,8 @@ def package_compound_structure(request, package_uuid, compound_uuid, structure_u
else: else:
return HttpResponseBadRequest() return HttpResponseBadRequest()
# TODO: Move cleaning to property updater new_structure_name = request.POST.get("compound-structure-name", "").strip()
new_structure_name = request.POST.get("compound-structure-name") new_structure_description = request.POST.get("compound-structure-description", "").strip()
if new_structure_name is not None:
new_structure_name = nh3.clean(new_structure_name, tags=s.ALLOWED_HTML_TAGS).strip()
new_structure_description = request.POST.get("compound-structure-description")
if new_structure_description is not None:
new_structure_description = nh3.clean(
new_structure_description, tags=s.ALLOWED_HTML_TAGS
).strip()
if new_structure_name: if new_structure_name:
current_structure.name = new_structure_name current_structure.name = new_structure_name
@ -1611,14 +1546,8 @@ def package_rule(request, package_uuid, rule_uuid):
return JsonResponse({"success": current_rule.url}) return JsonResponse({"success": current_rule.url})
# TODO: Move cleaning to property updater rule_name = request.POST.get("rule-name", "").strip()
rule_name = request.POST.get("rule-name") rule_description = request.POST.get("rule-description", "").strip()
if rule_name is not None:
rule_name = nh3.clean(rule_name, tags=s.ALLOWED_HTML_TAGS).strip()
rule_description = request.POST.get("rule-description")
if rule_description is not None:
rule_description = nh3.clean(rule_description, tags=s.ALLOWED_HTML_TAGS).strip()
if rule_name: if rule_name:
current_rule.name = rule_name current_rule.name = rule_name
@ -1708,6 +1637,7 @@ def package_reactions(request, package_uuid):
reaction_name = request.POST.get("reaction-name") reaction_name = request.POST.get("reaction-name")
reaction_description = request.POST.get("reaction-description") reaction_description = request.POST.get("reaction-description")
reactions_smirks = request.POST.get("reaction-smirks") reactions_smirks = request.POST.get("reaction-smirks")
educts = reactions_smirks.split(">>")[0].split(".") educts = reactions_smirks.split(">>")[0].split(".")
products = reactions_smirks.split(">>")[1].split(".") products = reactions_smirks.split(">>")[1].split(".")
@ -1768,16 +1698,8 @@ def package_reaction(request, package_uuid, reaction_uuid):
return JsonResponse({"success": current_reaction.url}) return JsonResponse({"success": current_reaction.url})
# TODO: Move cleaning to property updater new_reaction_name = request.POST.get("reaction-name", "").strip()
new_reaction_name = request.POST.get("reaction-name") new_reaction_description = request.POST.get("reaction-description", "").strip()
if new_reaction_name is not None:
new_reaction_name = nh3.clean(new_reaction_name, tags=s.ALLOWED_HTML_TAGS).strip()
new_reaction_description = request.POST.get("reaction-description")
if new_reaction_description is not None:
new_reaction_description = nh3.clean(
new_reaction_description, tags=s.ALLOWED_HTML_TAGS
).strip()
if new_reaction_name: if new_reaction_name:
current_reaction.name = new_reaction_name current_reaction.name = new_reaction_name
@ -1854,9 +1776,8 @@ def package_pathways(request, package_uuid):
name = request.POST.get("name") name = request.POST.get("name")
description = request.POST.get("description") description = request.POST.get("description")
smiles = request.POST.get("smiles", "").strip()
pw_mode = request.POST.get("predict", "predict").strip() pw_mode = request.POST.get("predict", "predict").strip()
smiles = request.POST.get("smiles", "").strip()
if "smiles" in request.POST and smiles == "": if "smiles" in request.POST and smiles == "":
return error( return error(
@ -1865,6 +1786,8 @@ def package_pathways(request, package_uuid):
"Pathway prediction failed due to missing or empty SMILES", "Pathway prediction failed due to missing or empty SMILES",
) )
smiles = smiles.strip()
try: try:
stand_smiles = FormatConverter.standardize(smiles) stand_smiles = FormatConverter.standardize(smiles)
except ValueError: except ValueError:
@ -2023,14 +1946,8 @@ def package_pathway(request, package_uuid, pathway_uuid):
return JsonResponse({"success": current_pathway.url}) return JsonResponse({"success": current_pathway.url})
# TODO: Move cleaning to property updater
pathway_name = request.POST.get("pathway-name") pathway_name = request.POST.get("pathway-name")
if pathway_name is not None:
pathway_name = nh3.clean(pathway_name, tags=s.ALLOWED_HTML_TAGS).strip()
pathway_description = request.POST.get("pathway-description") pathway_description = request.POST.get("pathway-description")
if pathway_description is not None:
pathway_description = nh3.clean(pathway_description, tags=s.ALLOWED_HTML_TAGS).strip()
if any([pathway_name, pathway_description]): if any([pathway_name, pathway_description]):
if pathway_name is not None and pathway_name.strip() != "": if pathway_name is not None and pathway_name.strip() != "":
@ -2118,8 +2035,8 @@ def package_pathway_nodes(request, package_uuid, pathway_uuid):
elif request.method == "POST": elif request.method == "POST":
node_name = request.POST.get("node-name") node_name = request.POST.get("node-name")
node_description = request.POST.get("node-description") node_description = request.POST.get("node-description")
node_smiles = request.POST.get("node-smiles")
node_smiles = request.POST.get("node-smiles").strip()
current_pathway.add_node(node_smiles, name=node_name, description=node_description) current_pathway.add_node(node_smiles, name=node_name, description=node_description)
return redirect(current_pathway.url) return redirect(current_pathway.url)
@ -2284,7 +2201,6 @@ def package_pathway_edges(request, package_uuid, pathway_uuid):
edge_name = request.POST.get("edge-name") edge_name = request.POST.get("edge-name")
edge_description = request.POST.get("edge-description") edge_description = request.POST.get("edge-description")
edge_substrates = request.POST.getlist("edge-substrates") edge_substrates = request.POST.getlist("edge-substrates")
edge_products = request.POST.getlist("edge-products") edge_products = request.POST.getlist("edge-products")
@ -2371,7 +2287,7 @@ def package_scenarios(request, package_uuid):
"all", False "all", False
): ):
scens = Scenario.objects.filter(package=current_package).order_by("name") scens = Scenario.objects.filter(package=current_package).order_by("name")
res = [{"name": s_.name, "url": s_.url, "uuid": s_.uuid} for s_ in scens] res = [{"name": s.name, "url": s.url, "uuid": s.uuid} for s in scens]
return JsonResponse(res, safe=False) return JsonResponse(res, safe=False)
context = get_base_context(request) context = get_base_context(request)
@ -2419,21 +2335,21 @@ def package_scenarios(request, package_uuid):
"name": "soil", "name": "soil",
"widgets": [ "widgets": [
HTMLGenerator.generate_html(ai, prefix=f"soil_{0}") HTMLGenerator.generate_html(ai, prefix=f"soil_{0}")
for ai in [x for sv in SOIL_ADDITIONAL_INFORMATION.values() for x in sv] for ai in [x for s in SOIL_ADDITIONAL_INFORMATION.values() for x in s]
], ],
}, },
"Sludge Data": { "Sludge Data": {
"name": "sludge", "name": "sludge",
"widgets": [ "widgets": [
HTMLGenerator.generate_html(ai, prefix=f"sludge_{0}") HTMLGenerator.generate_html(ai, prefix=f"sludge_{0}")
for ai in [x for sv in SLUDGE_ADDITIONAL_INFORMATION.values() for x in sv] for ai in [x for s in SLUDGE_ADDITIONAL_INFORMATION.values() for x in s]
], ],
}, },
"Water-Sediment System Data": { "Water-Sediment System Data": {
"name": "sediment", "name": "sediment",
"widgets": [ "widgets": [
HTMLGenerator.generate_html(ai, prefix=f"sediment_{0}") HTMLGenerator.generate_html(ai, prefix=f"sediment_{0}")
for ai in [x for sv in SEDIMENT_ADDITIONAL_INFORMATION.values() for x in sv] for ai in [x for s in SEDIMENT_ADDITIONAL_INFORMATION.values() for x in s]
], ],
}, },
} }
@ -2448,7 +2364,6 @@ def package_scenarios(request, package_uuid):
scenario_name = request.POST.get("scenario-name") scenario_name = request.POST.get("scenario-name")
scenario_description = request.POST.get("scenario-description") scenario_description = request.POST.get("scenario-description")
scenario_date_year = request.POST.get("scenario-date-year") scenario_date_year = request.POST.get("scenario-date-year")
scenario_date_month = request.POST.get("scenario-date-month") scenario_date_month = request.POST.get("scenario-date-month")
scenario_date_day = request.POST.get("scenario-date-day") scenario_date_day = request.POST.get("scenario-date-day")
@ -2462,9 +2377,9 @@ def package_scenarios(request, package_uuid):
scenario_type = request.POST.get("scenario-type") scenario_type = request.POST.get("scenario-type")
additional_information = HTMLGenerator.build_models(request.POST.dict()) additional_information = HTMLGenerator.build_models(request.POST.dict())
additional_information = [x for sv in additional_information.values() for x in sv] additional_information = [x for s in additional_information.values() for x in s]
new_scen = Scenario.create( s = Scenario.create(
current_package, current_package,
name=scenario_name, name=scenario_name,
description=scenario_description, description=scenario_description,
@ -2473,7 +2388,7 @@ def package_scenarios(request, package_uuid):
additional_information=additional_information, additional_information=additional_information,
) )
return redirect(new_scen.url) return redirect(s.url)
else: else:
return HttpResponseNotAllowed( return HttpResponseNotAllowed(
[ [
@ -2773,7 +2688,6 @@ def settings(request):
name = request.POST.get("prediction-setting-name") name = request.POST.get("prediction-setting-name")
description = request.POST.get("prediction-setting-description") description = request.POST.get("prediction-setting-description")
new_default = request.POST.get("prediction-setting-new-default", "off") == "on" new_default = request.POST.get("prediction-setting-new-default", "off") == "on"
max_nodes = min( max_nodes = min(
@ -2924,60 +2838,3 @@ def userinfo(request):
"email_verified": user.is_active, "email_verified": user.is_active,
} }
return JsonResponse(res) return JsonResponse(res)
# Static Pages
def static_terms_of_use(request):
context = get_base_context(request)
context["title"] = "enviPath - Terms of Use"
context["public_mode"] = True
return render(request, "static/terms_of_use.html", context)
def static_privacy_policy(request):
context = get_base_context(request)
context["title"] = "enviPath - Privacy Policy"
context["public_mode"] = True
return render(request, "static/privacy_policy.html", context)
def static_cookie_policy(request):
context = get_base_context(request)
context["title"] = "enviPath - Cookie Policy"
context["public_mode"] = True
return render(request, "static/cookie_policy.html", context)
def static_about_us(request):
context = get_base_context(request)
context["title"] = "enviPath - About Us"
context["public_mode"] = True
return render(request, "static/about_us.html", context)
def static_contact_support(request):
context = get_base_context(request)
context["title"] = "enviPath - Contact & Support"
context["public_mode"] = True
return render(request, "static/contact.html", context)
def static_careers(request):
context = get_base_context(request)
context["title"] = "enviPath - Careers"
context["public_mode"] = True
return render(request, "static/careers.html", context)
def static_cite(request):
context = get_base_context(request)
context["title"] = "enviPath - How to Cite"
context["public_mode"] = True
return render(request, "static/cite.html", context)
def static_legal(request):
context = get_base_context(request)
context["title"] = "enviPath - Legal Information"
context["public_mode"] = True
return render(request, "static/legal.html", context)

View File

@ -1,25 +0,0 @@
{
"name": "envipy",
"version": "1.0.0",
"private": true,
"description": "enviPath UI - Tailwind CSS + DaisyUI",
"scripts": {
"dev": "tailwindcss -i static/css/input.css -o static/css/output.css --watch=always",
"build": "tailwindcss -i static/css/input.css -o static/css/output.css --minify"
},
"devDependencies": {
"@tailwindcss/cli": "^4.1.16",
"@tailwindcss/postcss": "^4.1.16",
"daisyui": "^5.4.3",
"postcss": "^8.5.6",
"prettier": "^3.6.2",
"prettier-plugin-jinja-template": "^2.1.0",
"prettier-plugin-tailwindcss": "^0.7.1",
"tailwindcss": "^4.1.16"
},
"keywords": [
"django",
"tailwindcss",
"daisyui"
]
}

740
pnpm-lock.yaml generated
View File

@ -1,740 +0,0 @@
lockfileVersion: '9.0'
settings:
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excludeLinksFromLockfile: false
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.:
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version: 4.1.16
daisyui:
specifier: ^5.4.3
version: 5.4.3
postcss:
specifier: ^8.5.6
version: 8.5.6
prettier:
specifier: ^3.6.2
version: 3.6.2
prettier-plugin-jinja-template:
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version: 2.1.0(prettier@3.6.2)
prettier-plugin-tailwindcss:
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tailwindcss:
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version: 4.1.16
packages:
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'@tailwindcss/oxide-linux-arm-gnueabihf': 4.1.16
'@tailwindcss/oxide-linux-arm64-gnu': 4.1.16
'@tailwindcss/oxide-linux-arm64-musl': 4.1.16
'@tailwindcss/oxide-linux-x64-gnu': 4.1.16
'@tailwindcss/oxide-linux-x64-musl': 4.1.16
'@tailwindcss/oxide-wasm32-wasi': 4.1.16
'@tailwindcss/oxide-win32-arm64-msvc': 4.1.16
'@tailwindcss/oxide-win32-x64-msvc': 4.1.16
'@tailwindcss/postcss@4.1.16':
dependencies:
'@alloc/quick-lru': 5.2.0
'@tailwindcss/node': 4.1.16
'@tailwindcss/oxide': 4.1.16
postcss: 8.5.6
tailwindcss: 4.1.16
braces@3.0.3:
dependencies:
fill-range: 7.1.1
daisyui@5.4.3: {}
detect-libc@1.0.3: {}
detect-libc@2.1.2: {}
enhanced-resolve@5.18.3:
dependencies:
graceful-fs: 4.2.11
tapable: 2.3.0
fill-range@7.1.1:
dependencies:
to-regex-range: 5.0.1
graceful-fs@4.2.11: {}
is-extglob@2.1.1: {}
is-glob@4.0.3:
dependencies:
is-extglob: 2.1.1
is-number@7.0.0: {}
jiti@2.6.1: {}
lightningcss-android-arm64@1.30.2:
optional: true
lightningcss-darwin-arm64@1.30.2:
optional: true
lightningcss-darwin-x64@1.30.2:
optional: true
lightningcss-freebsd-x64@1.30.2:
optional: true
lightningcss-linux-arm-gnueabihf@1.30.2:
optional: true
lightningcss-linux-arm64-gnu@1.30.2:
optional: true
lightningcss-linux-arm64-musl@1.30.2:
optional: true
lightningcss-linux-x64-gnu@1.30.2:
optional: true
lightningcss-linux-x64-musl@1.30.2:
optional: true
lightningcss-win32-arm64-msvc@1.30.2:
optional: true
lightningcss-win32-x64-msvc@1.30.2:
optional: true
lightningcss@1.30.2:
dependencies:
detect-libc: 2.1.2
optionalDependencies:
lightningcss-android-arm64: 1.30.2
lightningcss-darwin-arm64: 1.30.2
lightningcss-darwin-x64: 1.30.2
lightningcss-freebsd-x64: 1.30.2
lightningcss-linux-arm-gnueabihf: 1.30.2
lightningcss-linux-arm64-gnu: 1.30.2
lightningcss-linux-arm64-musl: 1.30.2
lightningcss-linux-x64-gnu: 1.30.2
lightningcss-linux-x64-musl: 1.30.2
lightningcss-win32-arm64-msvc: 1.30.2
lightningcss-win32-x64-msvc: 1.30.2
magic-string@0.30.21:
dependencies:
'@jridgewell/sourcemap-codec': 1.5.5
micromatch@4.0.8:
dependencies:
braces: 3.0.3
picomatch: 2.3.1
mri@1.2.0: {}
nanoid@3.3.11: {}
node-addon-api@7.1.1: {}
picocolors@1.1.1: {}
picomatch@2.3.1: {}
postcss@8.5.6:
dependencies:
nanoid: 3.3.11
picocolors: 1.1.1
source-map-js: 1.2.1
prettier-plugin-jinja-template@2.1.0(prettier@3.6.2):
dependencies:
prettier: 3.6.2
prettier-plugin-tailwindcss@0.7.1(prettier@3.6.2):
dependencies:
prettier: 3.6.2
prettier@3.6.2: {}
source-map-js@1.2.1: {}
tailwindcss@4.1.16: {}
tapable@2.3.0: {}
to-regex-range@5.0.1:
dependencies:
is-number: 7.0.0

View File

@ -27,12 +27,10 @@ dependencies = [
"scikit-learn>=1.6.1", "scikit-learn>=1.6.1",
"sentry-sdk[django]>=2.32.0", "sentry-sdk[django]>=2.32.0",
"setuptools>=80.8.0", "setuptools>=80.8.0",
"nh3==0.3.2",
"polars==1.35.1",
] ]
[tool.uv.sources] [tool.uv.sources]
enviformer = { git = "ssh://git@git.envipath.com/enviPath/enviformer.git", rev = "v0.1.4" } enviformer = { git = "ssh://git@git.envipath.com/enviPath/enviformer.git", rev = "v0.1.2" }
envipy-plugins = { git = "ssh://git@git.envipath.com/enviPath/enviPy-plugins.git", rev = "v0.1.0" } envipy-plugins = { git = "ssh://git@git.envipath.com/enviPath/enviPy-plugins.git", rev = "v0.1.0" }
envipy-additional-information = { git = "ssh://git@git.envipath.com/enviPath/enviPy-additional-information.git", rev = "v0.1.7"} envipy-additional-information = { git = "ssh://git@git.envipath.com/enviPath/enviPy-additional-information.git", rev = "v0.1.7"}
envipy-ambit = { git = "ssh://git@git.envipath.com/enviPath/enviPy-ambit.git" } envipy-ambit = { git = "ssh://git@git.envipath.com/enviPath/enviPy-ambit.git" }
@ -67,54 +65,22 @@ docstring-code-format = true
[tool.poe.tasks] [tool.poe.tasks]
# Main tasks # Main tasks
setup = { sequence = ["db-up", "migrate", "bootstrap"], help = "Complete setup: start database, run migrations, and bootstrap data" } setup = { sequence = ["db-up", "migrate", "bootstrap"], help = "Complete setup: start database, run migrations, and bootstrap data" }
dev = { shell = """ dev = { cmd = "python manage.py runserver", help = "Start the development server", deps = ["db-up"] }
# Start pnpm CSS watcher in background
pnpm run dev &
PNPM_PID=$!
echo "Started CSS watcher (PID: $PNPM_PID)"
# Cleanup function
cleanup() {
echo "\nShutting down..."
if kill -0 $PNPM_PID 2>/dev/null; then
kill $PNPM_PID
echo " CSS watcher stopped"
fi
if [ ! -z "${DJ_PID:-}" ] && kill -0 $DJ_PID 2>/dev/null; then
kill $DJ_PID
echo " Django server stopped"
fi
}
# Set trap for cleanup
trap cleanup EXIT INT TERM
# Start Django dev server in background
uv run python manage.py runserver &
DJ_PID=$!
# Wait for Django to finish
wait $DJ_PID
""", help = "Start the development server with CSS watcher", deps = ["db-up", "js-deps"] }
build = { sequence = ["build-frontend", "collectstatic"], help = "Build frontend assets and collect static files" }
# Database tasks # Database tasks
db-up = { cmd = "docker compose -f docker-compose.dev.yml up -d", help = "Start PostgreSQL database using Docker Compose" } db-up = { cmd = "docker compose -f docker-compose.dev.yml up -d", help = "Start PostgreSQL database using Docker Compose" }
db-down = { cmd = "docker compose -f docker-compose.dev.yml down", help = "Stop PostgreSQL database" } db-down = { cmd = "docker compose -f docker-compose.dev.yml down", help = "Stop PostgreSQL database" }
# Frontend tasks
js-deps = { cmd = "pnpm install", help = "Install frontend dependencies" }
# Full cleanup tasks # Full cleanup tasks
clean = { sequence = ["clean-db"], help = "Remove model files and database volumes (WARNING: destroys all data!)" } clean = { sequence = ["clean-db"], help = "Remove model files and database volumes (WARNING: destroys all data!)" }
clean-db = { cmd = "docker compose -f docker-compose.dev.yml down -v", help = "Removes the database container and volume." } clean-db = { cmd = "docker compose -f docker-compose.dev.yml down -v", help = "Removes the database container and volume." }
# Django tasks # Django tasks
migrate = { cmd = "uv run python manage.py migrate", help = "Run database migrations" } migrate = { cmd = "python manage.py migrate", help = "Run database migrations" }
bootstrap = { shell = """ bootstrap = { shell = """
echo "Bootstrapping initial data..." echo "Bootstrapping initial data..."
echo "This will take a bit . Get yourself some coffee..." echo "This will take a bit . Get yourself some coffee..."
uv run python manage.py bootstrap python manage.py bootstrap
echo " Bootstrap complete" echo " Bootstrap complete"
echo "" echo ""
echo "Default admin credentials:" echo "Default admin credentials:"
@ -122,8 +88,4 @@ echo " Username: admin"
echo " Email: admin@envipath.com" echo " Email: admin@envipath.com"
echo " Password: SuperSafe" echo " Password: SuperSafe"
""", help = "Bootstrap initial data (anonymous user, packages, models)" } """, help = "Bootstrap initial data (anonymous user, packages, models)" }
shell = { cmd = "uv run python manage.py shell", help = "Open Django shell" } shell = { cmd = "python manage.py shell", help = "Open Django shell" }
# Build tasks
build-frontend = { cmd = "pnpm run build", help = "Build frontend assets using pnpm", deps = ["js-deps"] }
collectstatic = { cmd = "uv run python manage.py collectstatic --noinput", help = "Collect static files for production", deps = ["build-frontend"] }

View File

@ -1,84 +0,0 @@
/**
* DaisyUI Themes - Generated by Style Dictionary
* Theme mappings defined in tokens/daisyui-themes.json
*/
/* Light theme (default) */
@plugin "daisyui/theme" {
name: "envipath";
default: true;
color-scheme: light;
--color-base-100: var(--color-neutral-50);
--color-base-200: var(--color-neutral-100);
--color-base-300: var(--color-neutral-200);
--color-base-content: var(--color-neutral-900);
--color-primary: var(--color-primary-500);
--color-primary-content: var(--color-primary-50);
--color-secondary: var(--color-secondary-500);
--color-secondary-content: var(--color-secondary-50);
--color-accent: var(--color-accent-500);
--color-accent-content: var(--color-accent-50);
--color-neutral: var(--color-neutral-950);
--color-neutral-content: var(--color-neutral-100);
--color-info: var(--color-info-500);
--color-info-content: var(--color-info-950);
--color-success: var(--color-success-500);
--color-success-content: var(--color-success-950);
--color-warning: var(--color-warning-500);
--color-warning-content: var(--color-warning-950);
--color-error: var(--color-error-500);
--color-error-content: var(--color-error-950);
/* border radius */
--radius-selector: 1rem;
--radius-field: 0.25rem;
--radius-box: 0.5rem;
/* base sizes */
--size-selector: 0.25rem;
--size-field: 0.25rem;
/* border size */
--border: 1px;
/* effects */
--depth: 1;
--noise: 0;
}
/* Dark theme (prefers-color-scheme: dark) */
@plugin "daisyui/theme" {
name: "envipath-dark";
prefersdark: true;
color-scheme: dark;
--color-primary: var(--color-primary-400);
--color-primary-content: var(--color-neutral-950);
--color-secondary: var(--color-secondary-400);
--color-secondary-content: var(--color-neutral-950);
--color-accent: var(--color-primary-500);
--color-accent-content: var(--color-neutral-950);
--color-neutral: var(--color-neutral-300);
--color-neutral-content: var(--color-neutral-900);
--color-base-100: var(--color-neutral-900);
--color-base-200: var(--color-neutral-800);
--color-base-300: var(--color-neutral-700);
--color-base-content: var(--color-neutral-50);
--color-info: var(--color-primary-400);
--color-info-content: var(--color-neutral-950);
--color-success: var(--color-success-400);
--color-success-content: var(--color-neutral-950);
--color-warning: var(--color-warning-400);
--color-warning-content: var(--color-neutral-950);
--color-error: var(--color-error-400);
--color-error-content: var(--color-neutral-950);
--radius-selector: 1rem;
--radius-field: 0.25rem;
--radius-box: 0.5rem;
--size-selector: 0.25rem;
--size-field: 0.25rem;
--border: 1px;
--depth: 1;
--noise: 0;
}

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@ -1,36 +0,0 @@
@import "tailwindcss";
/* fira-code-latin-wght-normal */
@font-face {
font-family: 'Fira Code Variable';
font-style: normal;
font-display: swap;
font-weight: 300 700;
src: url(https://cdn.jsdelivr.net/fontsource/fonts/fira-code:vf@latest/latin-wght-normal.woff2) format('woff2-variations');
unicode-range: U+0000-00FF,U+0131,U+0152-0153,U+02BB-02BC,U+02C6,U+02DA,U+02DC,U+0304,U+0308,U+0329,U+2000-206F,U+20AC,U+2122,U+2191,U+2193,U+2212,U+2215,U+FEFF,U+FFFD;
}
/* inter-latin-wght-normal */
@font-face {
font-family: 'Inter Variable';
font-style: normal;
font-display: swap;
font-weight: 100 900;
src: url(https://cdn.jsdelivr.net/fontsource/fonts/inter:vf@latest/latin-wght-normal.woff2) format('woff2-variations');
unicode-range: U+0000-00FF,U+0131,U+0152-0153,U+02BB-02BC,U+02C6,U+02DA,U+02DC,U+0304,U+0308,U+0329,U+2000-206F,U+20AC,U+2122,U+2191,U+2193,U+2212,U+2215,U+FEFF,U+FFFD;
}
/* Tell Tailwind where to find Django templates and Python files */
@source "../../templates";
/* Custom theme configuration - must come before plugins */
@import "./theme.css";
/* Import DaisyUI plugin */
@plugin "daisyui" {
logs: true;
exclude: rootscrollgutter;
}
@import "./daisyui-theme.css";

View File

@ -1,111 +0,0 @@
/**
* Tailwind v4 Theme - Generated by Style Dictionary
* This creates Tailwind utility classes from design tokens
*/
@theme {
/* Colors */
--color-primary-50: oklch(0.98 0.02 201);
--color-primary-100: oklch(0.96 0.04 203);
--color-primary-200: oklch(0.92 0.08 205);
--color-primary-300: oklch(0.87 0.12 207);
--color-primary-400: oklch(0.80 0.13 212);
--color-primary-500: oklch(0.71 0.13 215);
--color-primary-600: oklch(0.61 0.11 222);
--color-primary-700: oklch(0.52 0.09 223);
--color-primary-800: oklch(0.45 0.08 224);
--color-primary-900: oklch(0.40 0.07 227);
--color-primary-950: oklch(0.30 0.05 230);
--color-secondary-50: oklch(0.98 0.02 166);
--color-secondary-100: oklch(0.95 0.05 163);
--color-secondary-200: oklch(0.90 0.09 164);
--color-secondary-300: oklch(0.85 0.13 165);
--color-secondary-400: oklch(0.77 0.15 163);
--color-secondary-500: oklch(0.70 0.15 162);
--color-secondary-600: oklch(0.60 0.13 163);
--color-secondary-700: oklch(0.51 0.10 166);
--color-secondary-800: oklch(0.43 0.09 167);
--color-secondary-900: oklch(0.38 0.07 169);
--color-secondary-950: oklch(0.26 0.05 173);
--color-success-50: oklch(0.98 0.02 156);
--color-success-100: oklch(0.96 0.04 157);
--color-success-200: oklch(0.93 0.08 156);
--color-success-300: oklch(0.87 0.14 154);
--color-success-400: oklch(0.80 0.18 152);
--color-success-500: oklch(0.72 0.19 150);
--color-success-600: oklch(0.63 0.17 149);
--color-success-700: oklch(0.53 0.14 150);
--color-success-800: oklch(0.45 0.11 151);
--color-success-900: oklch(0.39 0.09 153);
--color-success-950: oklch(0.27 0.06 153);
--color-warning-50: oklch(0.99 0.03 102);
--color-warning-100: oklch(0.97 0.07 103);
--color-warning-200: oklch(0.95 0.12 102);
--color-warning-300: oklch(0.91 0.17 98);
--color-warning-400: oklch(0.86 0.17 92);
--color-warning-500: oklch(0.80 0.16 86);
--color-warning-600: oklch(0.68 0.14 76);
--color-warning-700: oklch(0.55 0.12 66);
--color-warning-800: oklch(0.48 0.10 62);
--color-warning-900: oklch(0.42 0.09 58);
--color-warning-950: oklch(0.29 0.06 54);
--color-error-50: oklch(0.97 0.01 17);
--color-error-100: oklch(0.94 0.03 18);
--color-error-200: oklch(0.88 0.06 18);
--color-error-300: oklch(0.81 0.10 20);
--color-error-400: oklch(0.71 0.17 22);
--color-error-500: oklch(0.64 0.21 25);
--color-error-600: oklch(0.58 0.22 27);
--color-error-700: oklch(0.51 0.19 28);
--color-error-800: oklch(0.44 0.16 27);
--color-error-900: oklch(0.40 0.13 26);
--color-error-950: oklch(0.26 0.09 26);
--color-neutral-50: oklch(0.98 0.00 248);
--color-neutral-100: oklch(0.97 0.01 248);
--color-neutral-200: oklch(0.93 0.01 256);
--color-neutral-300: oklch(0.87 0.02 253);
--color-neutral-400: oklch(0.71 0.04 257);
--color-neutral-500: oklch(0.55 0.04 257);
--color-neutral-600: oklch(0.45 0.04 257);
--color-neutral-700: oklch(0.37 0.04 257);
--color-neutral-800: oklch(0.28 0.04 260);
--color-neutral-900: oklch(0.28 0.04 260);
--color-neutral-950: oklch(0.28 0.04 260);
/* Spacing */
--spacing-0: 0;
--spacing-1: 0.25rem;
--spacing-2: 0.5rem;
--spacing-3: 0.75rem;
--spacing-4: 1rem;
--spacing-5: 1.25rem;
--spacing-6: 1.5rem;
--spacing-7: 1.75rem;
--spacing-8: 2rem;
--spacing-10: 2.5rem;
--spacing-12: 3rem;
--spacing-16: 4rem;
--spacing-20: 5rem;
--spacing-24: 6rem;
--spacing-32: 8rem;
--spacing-40: 10rem;
--spacing-48: 12rem;
--spacing-56: 14rem;
--spacing-64: 16rem;
/* Typography */
--font-family-sans: 'Inter Variable', system-ui, -apple-system, 'Segoe UI', Roboto, 'Helvetica Neue', Arial, sans-serif;
--font-family-mono: 'Fira Code Variable', 'Cascadia Code', 'Source Code Pro', Menlo, Consolas, monospace;
--font-family-base: 'Inter Variable', system-ui, -apple-system, 'Segoe UI', Roboto, 'Helvetica Neue', Arial, sans-serif;
--font-size-xs: 0.75rem;
--font-size-sm: 0.875rem;
--font-size-base: 1rem;
--font-size-lg: 1.125rem;
--font-size-xl: 1.25rem;
--font-size-2xl: 1.5rem;
--font-size-3xl: 1.875rem;
--font-size-4xl: 2.25rem;
--font-size-5xl: 3rem;
--font-size-6xl: 3.75rem;
--font-size-7xl: 4.5rem;
}

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/**
* Discourse API Integration for enviPath Community
* Handles fetching topics from the Discourse forum API
*/
class DiscourseAPI {
constructor() {
this.baseUrl = 'https://community.envipath.org';
this.categoryId = 10; // Announcements category
this.limit = 3; // Number of topics to fetch
}
/**
* Fetch topics from Discourse API
* @param {number} limit - Number of topics to fetch
* @returns {Promise<Array>} Array of topic objects
*/
async fetchTopics(limit = this.limit) {
try {
const url = `${this.baseUrl}/c/announcements/${this.categoryId}.json`;
const response = await fetch(url);
if (!response.ok) {
throw new Error(`HTTP error! status: ${response.status}`);
}
const data = await response.json();
return this.processTopics(data.topic_list.topics, limit);
} catch (error) {
console.error('Error fetching Discourse topics:', error);
return this.getFallbackTopics();
}
}
/**
* Process raw Discourse topics into standardized format
* @param {Array} topics - Raw topics from Discourse API
* @param {number} limit - Number of topics to return
* @returns {Array} Processed topics
*/
processTopics(topics, limit) {
return topics
.slice(0, limit)
.map(topic => ({
id: topic.id,
title: topic.title,
excerpt: this.extractExcerpt(topic.excerpt),
url: `${this.baseUrl}/t/${topic.slug}/${topic.id}`,
replies: topic.reply_count,
views: topic.views,
created_at: topic.created_at,
category: 'Announcements',
category_id: this.categoryId,
author: topic.last_poster_username,
author_avatar: this.getAvatarUrl(topic.last_poster_username)
}))
.sort((a, b) => new Date(b.created_at) - new Date(a.created_at)); // Latest first
}
/**
* Extract excerpt from topic content
* @param {string} excerpt - Raw excerpt from Discourse
* @returns {string} Cleaned excerpt
*/
extractExcerpt(excerpt) {
if (!excerpt) return 'Click to read more';
// Remove HTML tags and clean up; collapse whitespace; do not add manual ellipsis
return excerpt
.replace(/<[^>]*>/g, '') // Remove HTML tags
.replace(/&nbsp;/g, ' ') // Replace &nbsp; with spaces
.replace(/&amp;/g, '&') // Replace &amp; with &
.replace(/&lt;/g, '<') // Replace &lt; with <
.replace(/&gt;/g, '>') // Replace &gt; with >
.replace(/\s+/g, ' ') // Collapse all whitespace/newlines
.trim()
}
/**
* Get avatar URL for user
* @param {string} username - Username
* @returns {string} Avatar URL
*/
getAvatarUrl(username) {
if (!username) return `${this.baseUrl}/letter_avatar_proxy/v4/letter/u/1.png`;
return `${this.baseUrl}/user_avatar/${this.baseUrl.replace('https://', '')}/${username}/40/1_1.png`;
}
/**
* Get fallback topics when API fails
* @returns {Array} Fallback topics
*/
getFallbackTopics() {
return [
{
id: 110,
title: "enviPath Beta Update: Major Improvements to Prediction, Analysis & Collaboration!",
excerpt: "We're excited to announce major updates to the enviPath beta platform! This release includes significant improvements to our prediction algorithms, enhanced analysis tools, and new collaboration features that will make environmental biotransformation research more accessible and efficient.",
url: "https://community.envipath.org/t/envipath-beta-update-major-improvements-to-prediction-analysis-collaboration/110",
replies: 0,
views: 16,
created_at: "2025-09-23T00:00:00Z",
category: "Announcements",
category_id: 10,
author: "wicker",
author_avatar: "https://community.envipath.org/user_avatar/community.envipath.org/wicker/40/1_1.png"
}
];
}
/**
* Format date for display
* @param {string} dateString - ISO date string
* @returns {string} Formatted date
*/
formatDate(dateString) {
const date = new Date(dateString);
return date.toLocaleDateString();
}
/**
* Load topics and call render function
* @param {string} containerId - ID of container element
* @param {Function} renderCallback - Function to render topics
*/
async loadTopics(containerId = 'community-news-container', renderCallback = null) {
const container = document.getElementById(containerId);
if (!container) {
console.error(`Container with ID '${containerId}' not found`);
return;
}
// Hide loading spinner
const loading = document.getElementById('loading');
if (loading) {
loading.style.display = 'none';
}
try {
const topics = await this.fetchTopics();
if (renderCallback && typeof renderCallback === 'function') {
renderCallback(topics);
} else {
// Default rendering - just log topics
console.log('Topics loaded:', topics);
}
} catch (error) {
console.error('Error loading topics:', error);
container.innerHTML = '<p class="text-neutral">No updates found. Head over to the <a href="https://community.envipath.org" target="_blank" class="link link-primary">community</a> to see the latest discussions.</p>';
}
}
}
// Export for use in other scripts
window.DiscourseAPI = DiscourseAPI;
// Auto-initialize if container exists
document.addEventListener('DOMContentLoaded', function() {
if (document.getElementById('community-news-container')) {
const discourseAPI = new DiscourseAPI();
discourseAPI.loadTopics('community-news-container', function(topics) {
// This will be handled by the template's render function
if (window.renderDiscourseTopics) {
window.renderDiscourseTopics(topics);
}
});
}
});

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@ -1,7 +1,6 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#new_compound_modal"> <a role="button" data-toggle="modal" data-target="#new_compound_modal">
<span class="glyphicon glyphicon-plus"></span> New Compound</a <span class="glyphicon glyphicon-plus"></span> New Compound</a>
> </li>
</li> {% endif %}
{% endif %}

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@ -1,11 +1,6 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a <a role="button" data-toggle="modal" data-target="#new_compound_structure_modal">
role="button" <span class="glyphicon glyphicon-plus"></span> New Compound Structure</a>
data-toggle="modal" </li>
data-target="#new_compound_structure_modal" {% endif %}
>
<span class="glyphicon glyphicon-plus"></span> New Compound Structure</a
>
</li>
{% endif %}

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@ -1,7 +1,6 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#new_edge_modal"> <a role="button" data-toggle="modal" data-target="#new_edge_modal">
<span class="glyphicon glyphicon-plus"></span> New Edge</a <span class="glyphicon glyphicon-plus"></span> New Edge</a>
> </li>
</li> {% endif %}
{% endif %}

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@ -1,5 +1,4 @@
<li> <li>
<a role="button" data-toggle="modal" data-target="#new_group_modal"> <a role="button" data-toggle="modal" data-target="#new_group_modal">
<span class="glyphicon glyphicon-plus"></span> New Group</a <span class="glyphicon glyphicon-plus"></span> New Group</a>
>
</li> </li>

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@ -1,7 +1,6 @@
{% if meta.can_edit and meta.enabled_features.MODEL_BUILDING %} {% if meta.can_edit and meta.enabled_features.MODEL_BUILDING %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#new_model_modal"> <a role="button" data-toggle="modal" data-target="#new_model_modal">
<span class="glyphicon glyphicon-plus"></span> New Model</a <span class="glyphicon glyphicon-plus"></span> New Model</a>
> </li>
</li>
{% endif %} {% endif %}

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@ -1,7 +1,6 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#new_node_modal"> <a role="button" data-toggle="modal" data-target="#new_node_modal">
<span class="glyphicon glyphicon-plus"></span> New Node</a <span class="glyphicon glyphicon-plus"></span> New Node</a>
> </li>
</li> {% endif %}
{% endif %}

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@ -1,20 +1,12 @@
<li> <li>
<a role="button" data-toggle="modal" data-target="#new_package_modal"> <a role="button" data-toggle="modal" data-target="#new_package_modal">
<span class="glyphicon glyphicon-plus"></span> New Package</a <span class="glyphicon glyphicon-plus"></span> New Package</a>
>
</li> </li>
<li> <li>
<a role="button" data-toggle="modal" data-target="#import_package_modal"> <a role="button" data-toggle="modal" data-target="#import_package_modal">
<span class="glyphicon glyphicon-import"></span> Import Package from JSON</a <span class="glyphicon glyphicon-import"></span> Import Package from JSON</a>
>
</li> </li>
<li> <li>
<a <a role="button" data-toggle="modal" data-target="#import_legacy_package_modal">
role="button" <span class="glyphicon glyphicon-import"></span> Import Package from legacy JSON</a>
data-toggle="modal" </li>
data-target="#import_legacy_package_modal"
>
<span class="glyphicon glyphicon-import"></span> Import Package from legacy
JSON</a
>
</li>

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{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a <a role="button" data-toggle="modal" data-target="#predict_modal">
href="{% if meta.current_package %}{{ meta.current_package.url }}/predict{% else %}{{ meta.server_url }}/predict{% endif %}" <span class="glyphicon glyphicon-plus"></span> New Pathway</a>
> </li>
<span class="glyphicon glyphicon-plus"></span> New Pathway</a {% endif %}
>
</li>
{% endif %}

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@ -1,7 +1,6 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#new_reaction_modal"> <a role="button" data-toggle="modal" data-target="#new_reaction_modal">
<span class="glyphicon glyphicon-plus"></span> New Reaction</a <span class="glyphicon glyphicon-plus"></span> New Reaction</a>
> </li>
</li> {% endif %}
{% endif %}

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@ -1,7 +1,6 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#new_rule_modal"> <a role="button" data-toggle="modal" data-target="#new_rule_modal">
<span class="glyphicon glyphicon-plus"></span> New Rule</a <span class="glyphicon glyphicon-plus"></span> New Rule</a>
> </li>
</li>
{% endif %} {% endif %}

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@ -1,7 +1,6 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#new_scenario_modal"> <a role="button" data-toggle="modal" data-target="#new_scenario_modal">
<span class="glyphicon glyphicon-plus"></span> New Scenario</a <span class="glyphicon glyphicon-plus"></span> New Scenario</a>
> </li>
</li> {% endif %}
{% endif %}

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@ -1,7 +1,6 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#new_setting_modal"> <a role="button" data-toggle="modal" data-target="#new_setting_modal">
<span class="glyphicon glyphicon-plus"></span>New Setting</a <span class="glyphicon glyphicon-plus"></span>New Setting</a>
> </li>
</li> {% endif %}
{% endif %}

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@ -1,43 +1,32 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#edit_compound_modal"> <a role="button" data-toggle="modal" data-target="#edit_compound_modal">
<i class="glyphicon glyphicon-edit"></i> Edit Compound</a <i class="glyphicon glyphicon-edit"></i> Edit Compound</a>
> </li>
</li> <li>
<li> <a role="button" data-toggle="modal" data-target="#set_aliases_modal">
<a role="button" data-toggle="modal" data-target="#set_aliases_modal"> <i class="glyphicon glyphicon-plus"></i> Set Aliases</a>
<i class="glyphicon glyphicon-plus"></i> Set Aliases</a </li>
> <li>
</li> <a role="button" data-toggle="modal" data-target="#add_structure_modal">
<li> <i class="glyphicon glyphicon-plus"></i> Add Structure</a>
<a role="button" data-toggle="modal" data-target="#add_structure_modal"> </li>
<i class="glyphicon glyphicon-plus"></i> Add Structure</a <li>
> <a role="button" data-toggle="modal" data-target="#set_scenario_modal">
</li> <i class="glyphicon glyphicon-plus"></i> Set Scenarios</a>
<li> </li>
<a role="button" data-toggle="modal" data-target="#set_scenario_modal"> <li>
<i class="glyphicon glyphicon-plus"></i> Set Scenarios</a <a role="button" data-toggle="modal" data-target="#generic_set_external_reference_modal">
> <i class="glyphicon glyphicon-plus"></i> Set External Reference</a>
</li> </li>
<li>
<a
role="button"
data-toggle="modal"
data-target="#generic_set_external_reference_modal"
>
<i class="glyphicon glyphicon-plus"></i> Set External Reference</a
>
</li>
{% endif %} {% endif %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#generic_copy_object_modal"> <a role="button" data-toggle="modal" data-target="#generic_copy_object_modal">
<i class="glyphicon glyphicon-duplicate"></i> Copy</a <i class="glyphicon glyphicon-duplicate"></i> Copy</a>
> </li>
</li>
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a class="button" data-toggle="modal" data-target="#generic_delete_modal"> <a class="button" data-toggle="modal" data-target="#generic_delete_modal">
<i class="glyphicon glyphicon-trash"></i> Delete Compound</a <i class="glyphicon glyphicon-trash"></i> Delete Compound</a>
> </li>
</li>
{% endif %} {% endif %}

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@ -1,35 +1,22 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a <a role="button" data-toggle="modal" data-target="#edit_compound_structure_modal">
role="button" <i class="glyphicon glyphicon-edit"></i> Edit Compound Structure</a>
data-toggle="modal" </li>
data-target="#edit_compound_structure_modal" <li>
> <a role="button" data-toggle="modal" data-target="#set_aliases_modal">
<i class="glyphicon glyphicon-edit"></i> Edit Compound Structure</a <i class="glyphicon glyphicon-plus"></i> Set Aliases</a>
> </li>
</li> <li>
<li> <a role="button" data-toggle="modal" data-target="#set_scenario_modal">
<a role="button" data-toggle="modal" data-target="#set_aliases_modal"> <i class="glyphicon glyphicon-plus"></i> Set Scenarios</a>
<i class="glyphicon glyphicon-plus"></i> Set Aliases</a </li>
> <li>
</li> <a role="button" data-toggle="modal" data-target="#generic_set_external_reference_modal">
<li> <i class="glyphicon glyphicon-plus"></i> Set External Reference</a>
<a role="button" data-toggle="modal" data-target="#set_scenario_modal"> </li>
<i class="glyphicon glyphicon-plus"></i> Set Scenarios</a <li>
> <a class="button" data-toggle="modal" data-target="#generic_delete_modal">
</li> <i class="glyphicon glyphicon-trash"></i> Delete Compound Structure</a>
<li> </li>
<a
role="button"
data-toggle="modal"
data-target="#generic_set_external_reference_modal"
>
<i class="glyphicon glyphicon-plus"></i> Set External Reference</a
>
</li>
<li>
<a class="button" data-toggle="modal" data-target="#generic_delete_modal">
<i class="glyphicon glyphicon-trash"></i> Delete Compound Structure</a
>
</li>
{% endif %} {% endif %}

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@ -1,17 +1,14 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#set_aliases_modal"> <a role="button" data-toggle="modal" data-target="#set_aliases_modal">
<i class="glyphicon glyphicon-plus"></i> Set Aliases</a <i class="glyphicon glyphicon-plus"></i> Set Aliases</a>
> </li>
</li> <li>
<li> <a role="button" data-toggle="modal" data-target="#set_scenario_modal">
<a role="button" data-toggle="modal" data-target="#set_scenario_modal"> <i class="glyphicon glyphicon-plus"></i> Set Scenarios</a>
<i class="glyphicon glyphicon-plus"></i> Set Scenarios</a </li>
> <li>
</li> <a class="button" data-toggle="modal" data-target="#generic_delete_modal">
<li> <i class="glyphicon glyphicon-trash"></i> Delete Edge</a>
<a class="button" data-toggle="modal" data-target="#generic_delete_modal"> </li>
<i class="glyphicon glyphicon-trash"></i> Delete Edge</a
>
</li>
{% endif %} {% endif %}

View File

@ -1,12 +1,10 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#edit_group_member_modal"> <a role="button" data-toggle="modal" data-target="#edit_group_member_modal">
<i class="glyphicon glyphicon-trash"></i> Add/Remove Member</a <i class="glyphicon glyphicon-trash"></i> Add/Remove Member</a>
> </li>
</li> <li>
<li> <a role="button" data-toggle="modal" data-target="#generic_delete_modal">
<a role="button" data-toggle="modal" data-target="#generic_delete_modal"> <i class="glyphicon glyphicon-trash"></i> Delete Group</a>
<i class="glyphicon glyphicon-trash"></i> Delete Group</a </li>
> {% endif %}
</li>
{% endif %}

View File

@ -1,22 +1,18 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#edit_model_modal"> <a role="button" data-toggle="modal" data-target="#edit_model_modal">
<i class="glyphicon glyphicon-edit"></i> Edit Model</a <i class="glyphicon glyphicon-edit"></i> Edit Model</a>
> </li>
</li> <li>
<li> <a role="button" data-toggle="modal" data-target="#evaluate_model_modal">
<a role="button" data-toggle="modal" data-target="#evaluate_model_modal"> <i class="glyphicon glyphicon-ok"></i> Evaluate Model</a>
<i class="glyphicon glyphicon-ok"></i> Evaluate Model</a </li>
> <li>
</li> <a role="button" data-toggle="modal" data-target="#retrain_model_modal">
<li> <i class="glyphicon glyphicon-repeat"></i> Retrain Model</a>
<a role="button" data-toggle="modal" data-target="#retrain_model_modal"> </li>
<i class="glyphicon glyphicon-repeat"></i> Retrain Model</a <li>
> <a class="button" data-toggle="modal" data-target="#generic_delete_modal">
</li> <i class="glyphicon glyphicon-trash"></i> Delete Model</a>
<li> </li>
<a class="button" data-toggle="modal" data-target="#generic_delete_modal"> {% endif %}
<i class="glyphicon glyphicon-trash"></i> Delete Model</a
>
</li>
{% endif %}

View File

@ -1,22 +1,18 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#edit_node_modal"> <a role="button" data-toggle="modal" data-target="#edit_node_modal">
<i class="glyphicon glyphicon-edit"></i> Edit Node</a <i class="glyphicon glyphicon-edit"></i> Edit Node</a>
> </li>
</li> <li>
<li> <a role="button" data-toggle="modal" data-target="#set_aliases_modal">
<a role="button" data-toggle="modal" data-target="#set_aliases_modal"> <i class="glyphicon glyphicon-plus"></i> Set Aliases</a>
<i class="glyphicon glyphicon-plus"></i> Set Aliases</a </li>
> <li>
</li> <a role="button" data-toggle="modal" data-target="#set_scenario_modal">
<li> <i class="glyphicon glyphicon-plus"></i> Set Scenarios</a>
<a role="button" data-toggle="modal" data-target="#set_scenario_modal"> </li>
<i class="glyphicon glyphicon-plus"></i> Set Scenarios</a <li>
> <a class="button" data-toggle="modal" data-target="#generic_delete_modal">
</li> <i class="glyphicon glyphicon-trash"></i> Delete Node</a>
<li> </li>
<a class="button" data-toggle="modal" data-target="#generic_delete_modal">
<i class="glyphicon glyphicon-trash"></i> Delete Node</a
>
</li>
{% endif %} {% endif %}

View File

@ -1,36 +1,26 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#edit_package_modal"> <a role="button" data-toggle="modal" data-target="#edit_package_modal">
<i class="glyphicon glyphicon-edit"></i> Edit Package</a <i class="glyphicon glyphicon-edit"></i> Edit Package</a>
> </li>
</li> <li>
<li> <a role="button" data-toggle="modal" data-target="#edit_package_permissions_modal">
<a <i class="glyphicon glyphicon-user"></i> Edit Permissions</a>
role="button" </li>
data-toggle="modal" <li>
data-target="#edit_package_permissions_modal" <a role="button" data-toggle="modal" data-target="#publish_package_modal">
> <i class="glyphicon glyphicon-bullhorn"></i> Publish Package</a>
<i class="glyphicon glyphicon-user"></i> Edit Permissions</a </li>
> <li>
</li> <a role="button" data-toggle="modal" data-target="#export_package_modal">
<li> <i class="glyphicon glyphicon-bullhorn"></i> Export Package as JSON</a>
<a role="button" data-toggle="modal" data-target="#publish_package_modal"> </li>
<i class="glyphicon glyphicon-bullhorn"></i> Publish Package</a <li>
> <a role="button" data-toggle="modal" data-target="#set_license_modal">
</li> <i class="glyphicon glyphicon-duplicate"></i> License</a>
<li> </li>
<a role="button" data-toggle="modal" data-target="#export_package_modal"> <li>
<i class="glyphicon glyphicon-bullhorn"></i> Export Package as JSON</a <a class="button" data-toggle="modal" data-target="#generic_delete_modal">
> <i class="glyphicon glyphicon-trash"></i> Delete Package</a>
</li> </li>
<li> {% endif %}
<a role="button" data-toggle="modal" data-target="#set_license_modal">
<i class="glyphicon glyphicon-duplicate"></i> License</a
>
</li>
<li>
<a class="button" data-toggle="modal" data-target="#generic_delete_modal">
<i class="glyphicon glyphicon-trash"></i> Delete Package</a
>
</li>
{% endif %}

View File

@ -1,92 +1,59 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a class="button" data-toggle="modal" data-target="#add_pathway_node_modal"> <a class="button" data-toggle="modal" data-target="#add_pathway_node_modal">
<i class="glyphicon glyphicon-plus"></i> Add Compound</a <i class="glyphicon glyphicon-plus"></i> Add Compound</a>
> </li>
</li> <li>
<li> <a class="button" data-toggle="modal" data-target="#add_pathway_edge_modal">
<a class="button" data-toggle="modal" data-target="#add_pathway_edge_modal"> <i class="glyphicon glyphicon-plus"></i> Add Reaction</a>
<i class="glyphicon glyphicon-plus"></i> Add Reaction</a </li>
> <li role="separator" class="divider"></li>
</li>
<li role="separator" class="divider"></li>
{% endif %} {% endif %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#generic_copy_object_modal"> <a role="button" data-toggle="modal" data-target="#generic_copy_object_modal">
<i class="glyphicon glyphicon-duplicate"></i> Copy</a <i class="glyphicon glyphicon-duplicate"></i> Copy</a>
> </li>
</li> <li>
<li> <a class="button" data-toggle="modal" data-target="#download_pathway_csv_modal">
<a <i class="glyphicon glyphicon-floppy-save"></i> Download Pathway as CSV</a>
class="button" </li>
data-toggle="modal" <li>
data-target="#download_pathway_csv_modal" <a class="button" data-toggle="modal" data-target="#download_pathway_image_modal">
> <i class="glyphicon glyphicon-floppy-save"></i> Download Pathway as Image</a>
<i class="glyphicon glyphicon-floppy-save"></i> Download Pathway as CSV</a </li>
>
</li>
<li>
<a
class="button"
data-toggle="modal"
data-target="#download_pathway_image_modal"
>
<i class="glyphicon glyphicon-floppy-save"></i> Download Pathway as Image</a
>
</li>
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a <a class="button" data-toggle="modal" data-target="#identify_missing_rules_modal">
class="button" <i class="glyphicon glyphicon-question-sign"></i> Identify Missing Rules</a>
data-toggle="modal" </li>
data-target="#identify_missing_rules_modal" <li role="separator" class="divider"></li>
> <li>
<i class="glyphicon glyphicon-question-sign"></i> Identify Missing <a class="button" data-toggle="modal" data-target="#edit_pathway_modal">
Rules</a <i class="glyphicon glyphicon-edit"></i> Edit Pathway</a>
> </li>
</li> <li>
<li role="separator" class="divider"></li> <a role="button" data-toggle="modal" data-target="#set_scenario_modal">
<li> <i class="glyphicon glyphicon-plus"></i> Set Scenarios</a>
<a class="button" data-toggle="modal" data-target="#edit_pathway_modal"> </li>
<i class="glyphicon glyphicon-edit"></i> Edit Pathway</a <li>
> <a role="button" data-toggle="modal" data-target="#set_aliases_modal">
</li> <i class="glyphicon glyphicon-plus"></i> Set Aliases</a>
<li> </li>
<a role="button" data-toggle="modal" data-target="#set_scenario_modal"> {# <li>#}
<i class="glyphicon glyphicon-plus"></i> Set Scenarios</a {# <a class="button" data-toggle="modal" data-target="#add_pathway_edge_modal">#}
> {# <i class="glyphicon glyphicon-plus"></i> Calculate Compound Properties</a>#}
</li> {# </li>#}
<li> <li role="separator" class="divider"></li>
<a role="button" data-toggle="modal" data-target="#set_aliases_modal"> <li>
<i class="glyphicon glyphicon-plus"></i> Set Aliases</a <a class="button" data-toggle="modal" data-target="#delete_pathway_node_modal">
> <i class="glyphicon glyphicon-trash"></i> Delete Compound</a>
</li> </li>
{# <li>#} <li>
{# <a class="button" data-toggle="modal" data-target="#add_pathway_edge_modal">#} <a class="button" data-toggle="modal" data-target="#delete_pathway_edge_modal">
{# <i class="glyphicon glyphicon-plus"></i> Calculate Compound Properties</a>#} <i class="glyphicon glyphicon-trash"></i> Delete Reaction</a>
{# </li>#} </li>
<li role="separator" class="divider"></li> <li>
<li> <a class="button" data-toggle="modal" data-target="#generic_delete_modal">
<a <i class="glyphicon glyphicon-trash"></i> Delete Pathway</a>
class="button" </li>
data-toggle="modal"
data-target="#delete_pathway_node_modal"
>
<i class="glyphicon glyphicon-trash"></i> Delete Compound</a
>
</li>
<li>
<a
class="button"
data-toggle="modal"
data-target="#delete_pathway_edge_modal"
>
<i class="glyphicon glyphicon-trash"></i> Delete Reaction</a
>
</li>
<li>
<a class="button" data-toggle="modal" data-target="#generic_delete_modal">
<i class="glyphicon glyphicon-trash"></i> Delete Pathway</a
>
</li>
{% endif %} {% endif %}

View File

@ -1,38 +1,28 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#edit_reaction_modal"> <a role="button" data-toggle="modal" data-target="#edit_reaction_modal">
<i class="glyphicon glyphicon-edit"></i> Edit Reaction</a <i class="glyphicon glyphicon-edit"></i> Edit Reaction</a>
> </li>
</li> <li>
<li> <a role="button" data-toggle="modal" data-target="#set_aliases_modal">
<a role="button" data-toggle="modal" data-target="#set_aliases_modal"> <i class="glyphicon glyphicon-plus"></i> Set Aliases</a>
<i class="glyphicon glyphicon-plus"></i> Set Aliases</a </li>
> <li>
</li> <a role="button" data-toggle="modal" data-target="#set_scenario_modal">
<li> <i class="glyphicon glyphicon-plus"></i> Set Scenarios</a>
<a role="button" data-toggle="modal" data-target="#set_scenario_modal"> </li>
<i class="glyphicon glyphicon-plus"></i> Set Scenarios</a <li>
> <a role="button" data-toggle="modal" data-target="#generic_set_external_reference_modal">
</li> <i class="glyphicon glyphicon-plus"></i> Set External Reference</a>
<li> </li>
<a
role="button"
data-toggle="modal"
data-target="#generic_set_external_reference_modal"
>
<i class="glyphicon glyphicon-plus"></i> Set External Reference</a
>
</li>
{% endif %} {% endif %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#generic_copy_object_modal"> <a role="button" data-toggle="modal" data-target="#generic_copy_object_modal">
<i class="glyphicon glyphicon-duplicate"></i> Copy</a <i class="glyphicon glyphicon-duplicate"></i> Copy</a>
> </li>
</li>
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a class="button" data-toggle="modal" data-target="#generic_delete_modal"> <a class="button" data-toggle="modal" data-target="#generic_delete_modal">
<i class="glyphicon glyphicon-trash"></i> Delete Reaction</a <i class="glyphicon glyphicon-trash"></i> Delete Reaction</a>
> </li>
</li>
{% endif %} {% endif %}

View File

@ -1,29 +1,24 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#edit_rule_modal"> <a role="button" data-toggle="modal" data-target="#edit_rule_modal">
<i class="glyphicon glyphicon-edit"></i> Edit Rule</a <i class="glyphicon glyphicon-edit"></i> Edit Rule</a>
> </li>
</li> <li>
<li> <a role="button" data-toggle="modal" data-target="#set_aliases_modal">
<a role="button" data-toggle="modal" data-target="#set_aliases_modal"> <i class="glyphicon glyphicon-plus"></i> Set Aliases</a>
<i class="glyphicon glyphicon-plus"></i> Set Aliases</a </li>
> <li>
</li> <a role="button" data-toggle="modal" data-target="#set_scenario_modal">
<li> <i class="glyphicon glyphicon-plus"></i> Set Scenarios</a>
<a role="button" data-toggle="modal" data-target="#set_scenario_modal"> </li>
<i class="glyphicon glyphicon-plus"></i> Set Scenarios</a
>
</li>
{% endif %} {% endif %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#generic_copy_object_modal"> <a role="button" data-toggle="modal" data-target="#generic_copy_object_modal">
<i class="glyphicon glyphicon-duplicate"></i> Copy</a <i class="glyphicon glyphicon-duplicate"></i> Copy</a>
> </li>
</li>
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a class="button" data-toggle="modal" data-target="#generic_delete_modal"> <a class="button" data-toggle="modal" data-target="#generic_delete_modal">
<i class="glyphicon glyphicon-trash"></i> Delete Rule</a <i class="glyphicon glyphicon-trash"></i> Delete Rule</a>
> </li>
</li>
{% endif %} {% endif %}

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@ -1,25 +1,14 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a <a class="button" data-toggle="modal" data-target="#add_additional_information_modal">
class="button" <i class="glyphicon glyphicon-trash"></i> Add Additional Information</a>
data-toggle="modal" </li>
data-target="#add_additional_information_modal" <li>
> <a class="button" data-toggle="modal" data-target="#update_scenario_additional_information_modal">
<i class="glyphicon glyphicon-trash"></i> Add Additional Information</a <i class="glyphicon glyphicon-trash"></i> Set Additional Information</a>
> </li>
</li> <li>
<li> <a class="button" data-toggle="modal" data-target="#generic_delete_modal">
<a <i class="glyphicon glyphicon-trash"></i> Delete Scenario</a>
class="button" </li>
data-toggle="modal" {% endif %}
data-target="#update_scenario_additional_information_modal"
>
<i class="glyphicon glyphicon-trash"></i> Set Additional Information</a
>
</li>
<li>
<a class="button" data-toggle="modal" data-target="#generic_delete_modal">
<i class="glyphicon glyphicon-trash"></i> Delete Scenario</a
>
</li>
{% endif %}

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@ -1,30 +1,22 @@
{% if meta.can_edit %} {% if meta.can_edit %}
<li> <li>
<a role="button" data-toggle="modal" data-target="#edit_user_modal"> <a role="button" data-toggle="modal" data-target="#edit_user_modal">
<i class="glyphicon glyphicon-edit"></i> Update</a <i class="glyphicon glyphicon-edit"></i> Update</a>
> </li>
</li> <li>
<li> <a role="button" data-toggle="modal" data-target="#edit_password_modal">
<a role="button" data-toggle="modal" data-target="#edit_password_modal"> <i class="glyphicon glyphicon-lock"></i> Update Password</a>
<i class="glyphicon glyphicon-lock"></i> Update Password</a </li>
> <li>
</li> <a role="button" data-toggle="modal" data-target="#new_prediction_setting_modal">
<li> <i class="glyphicon glyphicon-plus"></i> New Prediction Setting</a>
<a </li>
role="button" {# <li>#}
data-toggle="modal" {# <a role="button" data-toggle="modal" data-target="#manage_api_token_modal">#}
data-target="#new_prediction_setting_modal" {# <i class="glyphicon glyphicon-console"></i> Manage API Token</a>#}
> {# </li>#}
<i class="glyphicon glyphicon-plus"></i> New Prediction Setting</a <li>
> <a role="button" data-toggle="modal" data-target="#generic_delete_modal">
</li> <i class="glyphicon glyphicon-trash"></i> Delete Account</a>
{# <li>#} </li>
{# <a role="button" data-toggle="modal" data-target="#manage_api_token_modal">#} {% endif %}
{# <i class="glyphicon glyphicon-console"></i> Manage API Token</a>#}
{# </li>#}
<li>
<a role="button" data-toggle="modal" data-target="#generic_delete_modal">
<i class="glyphicon glyphicon-trash"></i> Delete Account</a
>
</li>
{% endif %}

View File

@ -1,17 +1,12 @@
{% extends "framework.html" %} {% extends "framework.html" %}
{% load static %} {% load static %}
{% block content %} {% block content %}
<div id="searchContent">
<div id=searchContent>
<form id="admin-form" action="{{ SERVER_BASE }}/admin" method="post"> <form id="admin-form" action="{{ SERVER_BASE }}/admin" method="post">
<div class="form-group"> <div class="form-group">
<label for="textarea">Query</label> <label for="textarea">Query</label>
<textarea <textarea id="textarea" class="form-control" rows="10" placeholder="Paste query here" required>
id="textarea"
class="form-control"
rows="10"
placeholder="Paste query here"
required
>
PREFIX pps: <http://localhost:8080/vocabulary#> PREFIX pps: <http://localhost:8080/vocabulary#>
SELECT ?name (count(?objId) as ?xcnt) SELECT ?name (count(?objId) as ?xcnt)
WHERE { WHERE {
@ -20,29 +15,32 @@ WHERE {
?packageId pps:reviewStatus 'reviewed' . ?packageId pps:reviewStatus 'reviewed' .
?packageId pps:pathway ?objId . ?packageId pps:pathway ?objId .
} GROUP BY ?name } GROUP BY ?name
</textarea </textarea>
> </div>
</div> <button id="submit" type="button" class="btn btn-primary">Submit</button>
<button id="submit" type="button" class="btn btn-primary">Submit</button>
</form> </form>
<p></p> <p></p>
</div> </div>
<div id="results"></div> <div id="results">
<div id="loading"></div> </div>
<script> <div id="loading"></div>
$(function () { </div>
$("#submit").on("click", function () { <script>
$(function() {
$('#submit').on('click', function() {
makeLoadingGif("#loading", "{% static '/images/wait.gif' %}"); makeLoadingGif("#loading", "{% static '/images/wait.gif' %}");
data = { data = {
query: $("#textarea").val(), "query": $("#textarea").val()
}; }
$.post("{{ SERVER_BASE }}/expire", data, function (result) { $.post("{{ SERVER_BASE }}/expire", data, function(result) {
$("#loading").empty(); $("#loading").empty();
queryResultToTable("results", result); queryResultToTable("results", result);
}); })
});
}); });
</script> })
</script>
{% endblock content %} {% endblock content %}

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@ -2,79 +2,70 @@
{% load static %} {% load static %}
{% load envipytags %} {% load envipytags %}
{% block content %} {% block content %}
<div class="panel-group" id="reviewListAccordion">
<div class="panel panel-default">
<div
class="panel-heading"
id="headingPanel"
style="font-size:2rem;height: 46px"
>
Jobs
</div>
<div class="panel-body">
<p>Job Logs Desc</p>
</div>
<div <div class="panel-group" id="reviewListAccordion">
class="panel panel-default panel-heading list-group-item" <div class="panel panel-default">
style="background-color:silver" <div class="panel-heading" id="headingPanel" style="font-size:2rem;height: 46px">
> Jobs
<h4 class="panel-title"> </div>
<a <div class="panel-body">
id="job-accordion-link" <p>
data-toggle="collapse" Job Logs Desc
data-parent="#job-accordion" </p>
href="#jobs"
> </div>
Jobs
</a> <div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
</h4> <h4 class="panel-title">
</div> <a id="job-accordion-link" data-toggle="collapse" data-parent="#job-accordion" href="#jobs">
<div id="jobs" class="panel-collapse in collapse"> Jobs
<div class="panel-body list-group-item" id="job-content"> </a>
<table class="table-bordered table-hover table"> </h4>
<tr style="background-color: rgba(0, 0, 0, 0.08);"> </div>
<th scope="col">ID</th> <div id="jobs"
<th scope="col">Name</th> class="panel-collapse collapse in">
<th scope="col">Status</th> <div class="panel-body list-group-item" id="job-content">
<th scope="col">Queued</th> <table class="table table-bordered table-hover">
<th scope="col">Done</th> <tr style="background-color: rgba(0, 0, 0, 0.08);">
<th scope="col">Result</th> <th scope="col">ID</th>
</tr> <th scope="col">Name</th>
<tbody> <th scope="col">Status</th>
{% for job in jobs %} <th scope="col">Queued</th>
<tr> <th scope="col">Done</th>
<td>{{ job.task_id }}</td> <th scope="col">Result</th>
<td>{{ job.job_name }}</td> </tr>
<td>{{ job.status }}</td> <tbody>
<td>{{ job.created }}</td> {% for job in jobs %}
<td>{{ job.done_at }}</td> <tr>
{% if job.task_result and job.task_result|is_url == True %} <td>{{ job.task_id }}</td>
<td><a href="{{ job.task_result }}">Result</a></td> <td>{{ job.job_name }}</td>
{% elif job.task_result %} <td>{{ job.status }}</td>
<td>{{ job.task_result|slice:"40" }}...</td> <td>{{ job.created }}</td>
{% else %} <td>{{ job.done_at }}</td>
<td>Empty</td> {% if job.task_result and job.task_result|is_url == True %}
{% endif %} <td><a href="{{ job.task_result }}">Result</a></td>
</tr> {% elif job.task_result %}
{% endfor %} <td>{{ job.task_result|slice:"40" }}...</td>
</tbody> {% else %}
</table> <td>Empty</td>
{% endif %}
</tr>
{% endfor %}
</tbody>
</table>
</div>
</div>
<!-- Unreviewable objects such as User / Group / Setting -->
<ul class='list-group'>
{% for obj in objects %}
{% if object_type == 'user' %}
<a class="list-group-item" href="{{ obj.url }}">{{ obj.username }}</a>
{% else %}
<a class="list-group-item" href="{{ obj.url }}">{{ obj.name }}</a>
{% endif %}
{% endfor %}
</ul>
</div> </div>
</div>
<!-- Unreviewable objects such as User / Group / Setting -->
<ul class="list-group">
{% for obj in objects %}
{% if object_type == 'user' %}
<a class="list-group-item" href="{{ obj.url }}"
>{{ obj.username }}</a
>
{% else %}
<a class="list-group-item" href="{{ obj.url }}">{{ obj.name }}</a>
{% endif %}
{% endfor %}
</ul>
</div> </div>
</div>
{% endblock content %} {% endblock content %}

View File

@ -2,427 +2,269 @@
{% load static %} {% load static %}
{% block content %} {% block content %}
{% if object_type != 'package' %} {% if object_type != 'package' %}
<div> <div>
<div id="load-all-error" style="display: none;"> <div id="load-all-error" style="display: none;">
<div class="alert alert-danger" role="alert"> <div class="alert alert-danger" role="alert">
<span <span class="glyphicon glyphicon-exclamation-sign" aria-hidden="true"></span>
class="glyphicon glyphicon-exclamation-sign" <span class="sr-only">Error:</span>
aria-hidden="true" Getting objects failed!
></span> </div>
<span class="sr-only">Error:</span>
Getting objects failed!
</div>
</div>
<input
type="text"
id="object-search"
class="form-control"
placeholder="Search by name"
style="display: none;"
/>
<p></p>
</div>
{% endif %}
{% block action_modals %}
{% if object_type == 'package' %}
{% include "modals/collections/new_package_modal.html" %}
{% include "modals/collections/import_package_modal.html" %}
{% include "modals/collections/import_legacy_package_modal.html" %}
{% elif object_type == 'compound' %}
{% include "modals/collections/new_compound_modal.html" %}
{% elif object_type == 'rule' %}
{% include "modals/collections/new_rule_modal.html" %}
{% elif object_type == 'reaction' %}
{% include "modals/collections/new_reaction_modal.html" %}
{% elif object_type == 'pathway' %}
{# {% include "modals/collections/new_pathway_modal.html" %} #}
{% elif object_type == 'node' %}
{% include "modals/collections/new_node_modal.html" %}
{% elif object_type == 'edge' %}
{% include "modals/collections/new_edge_modal.html" %}
{% elif object_type == 'scenario' %}
{% include "modals/collections/new_scenario_modal.html" %}
{% elif object_type == 'model' %}
{% include "modals/collections/new_model_modal.html" %}
{% elif object_type == 'setting' %}
{#{% include "modals/collections/new_setting_modal.html" %}#}
{% elif object_type == 'user' %}
<div></div>
{% elif object_type == 'group' %}
{% include "modals/collections/new_group_modal.html" %}
{% endif %}
{% endblock action_modals %}
<div class="panel-group" id="reviewListAccordion">
<div class="panel panel-default">
<div
class="panel-heading"
id="headingPanel"
style="font-size:2rem;height: 46px"
>
{% if object_type == 'package' %}
Packages
{% elif object_type == 'compound' %}
Compounds
{% elif object_type == 'structure' %}
Compound structures
{% elif object_type == 'rule' %}
Rules
{% elif object_type == 'reaction' %}
Reactions
{% elif object_type == 'pathway' %}
Pathways
{% elif object_type == 'node' %}
Nodes
{% elif object_type == 'edge' %}
Edges
{% elif object_type == 'scenario' %}
Scenarios
{% elif object_type == 'model' %}
Model
{% elif object_type == 'setting' %}
Settings
{% elif object_type == 'user' %}
Users
{% elif object_type == 'group' %}
Groups
{% endif %}
<div
id="actionsButton"
style="float: right;font-weight: normal;font-size: medium;position: relative; top: 50%; transform: translateY(-50%);z-index:100;display: none;"
class="dropdown"
>
<a
href="#"
class="dropdown-toggle"
data-toggle="dropdown"
role="button"
aria-haspopup="true"
aria-expanded="false"
><span class="glyphicon glyphicon-wrench"></span> Actions
<span class="caret"></span><span style="padding-right:1em"></span
></a>
<ul id="actionsList" class="dropdown-menu">
{% block actions %}
{% if object_type == 'package' %}
{% include "actions/collections/package.html" %}
{% elif object_type == 'compound' %}
{% include "actions/collections/compound.html" %}
{% elif object_type == 'structure' %}
{% include "actions/collections/compound_structure.html" %}
{% elif object_type == 'rule' %}
{% include "actions/collections/rule.html" %}
{% elif object_type == 'reaction' %}
{% include "actions/collections/reaction.html" %}
{% elif object_type == 'setting' %}
{% include "actions/collections/setting.html" %}
{% elif object_type == 'scenario' %}
{% include "actions/collections/scenario.html" %}
{% elif object_type == 'model' %}
{% include "actions/collections/model.html" %}
{% elif object_type == 'pathway' %}
{% include "actions/collections/pathway.html" %}
{% elif object_type == 'node' %}
{% include "actions/collections/node.html" %}
{% elif object_type == 'edge' %}
{% include "actions/collections/edge.html" %}
{% elif object_type == 'group' %}
{% include "actions/collections/group.html" %}
{% endif %}
{% endblock %}
</ul>
</div>
</div>
<div class="panel-body">
<!-- Set Text above links -->
{% if object_type == 'package' %}
<p>
A package contains pathways, rules, etc. and can reflect specific
experimental conditions.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/packages"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'compound' %}
<p>
A compound stores the structure of a molecule and can include
meta-information.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/compounds"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'structure' %}
<p>
The structures stored in this compound
<a
target="_blank"
href="https://wiki.envipath.org/index.php/compounds"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'rule' %}
<p>
A rule describes a biotransformation reaction template that is
defined as SMIRKS.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/Rules"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'reaction' %}
<p>
A reaction is a specific biotransformation from educt compounds to
product compounds.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/reactions"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'pathway' %}
<p>
A pathway displays the (predicted) biodegradation of a compound as
graph.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/pathways"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'node' %}
<p>
Nodes represent the (predicted) compounds in a graph.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/nodes"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'edge' %}
<p>
Edges represent the links between Nodes in a graph
<a
target="_blank"
href="https://wiki.envipath.org/index.php/edges"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'scenario' %}
<p>
A scenario contains meta-information that can be attached to other
data (compounds, rules, ..).
<a
target="_blank"
href="https://wiki.envipath.org/index.php/scenarios"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'model' %}
<p>
A model applies machine learning to limit the combinatorial
explosion.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/relative_reasoning"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'setting' %}
<p>
A setting includes configuration parameters for pathway predictions.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/settings"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'user' %}
<p>
Register now to create own packages and to submit and manage your
data.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/users"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% elif object_type == 'group' %}
<p>
Users can team up in groups to share packages.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/groups"
role="button"
>Learn more &gt;&gt;</a
>
</p>
{% endif %}
<!-- If theres nothing to show extend the text above -->
{% if reviewed_objects and unreviewed_objects %}
{% if reviewed_objects|length == 0 and unreviewed_objects|length == 0 %}
<p>
Nothing found. There are two possible reasons: <br /><br />1.
There is no content yet.<br />2. You have no reading
permissions.<br /><br />Please be sure you have at least reading
permissions.
</p>
{% endif %}
{% endif %}
</div>
{% if reviewed_objects %}
{% if reviewed_objects|length > 0 %}
<div
class="panel panel-default panel-heading list-group-item"
style="background-color:silver"
>
<h4 class="panel-title">
<a
id="ReviewedLink"
data-toggle="collapse"
data-parent="#reviewListAccordion"
href="#Reviewed"
>Reviewed</a
>
</h4>
</div>
<div id="Reviewed" class="panel-collapse in collapse">
<div class="panel-body list-group-item" id="ReviewedContent">
{% if object_type == 'package' %}
{% for obj in reviewed_objects %}
<a class="list-group-item" href="{{ obj.url }}"
>{{ obj.name|safe }}
<span
class="glyphicon glyphicon-star"
aria-hidden="true"
style="float:right"
data-toggle="tooltip"
data-placement="top"
title=""
data-original-title="Reviewed"
>
</span>
</a>
{% endfor %}
{% else %}
{% for obj in reviewed_objects|slice:":50" %}
<a class="list-group-item" href="{{ obj.url }}"
>{{ obj.name|safe }}{# <i>({{ obj.package.name }})</i> #}
<span
class="glyphicon glyphicon-star"
aria-hidden="true"
style="float:right"
data-toggle="tooltip"
data-placement="top"
title=""
data-original-title="Reviewed"
>
</span>
</a>
{% endfor %}
{% endif %}
</div> </div>
</div>
<input type="text" id="object-search" class="form-control" placeholder="Search by name"
style="display: none;">
<p></p>
</div>
{% endif %}
{% block action_modals %}
{% if object_type == 'package' %}
{% include "modals/collections/new_package_modal.html" %}
{% include "modals/collections/import_package_modal.html" %}
{% include "modals/collections/import_legacy_package_modal.html" %}
{% elif object_type == 'compound' %}
{% include "modals/collections/new_compound_modal.html" %}
{% elif object_type == 'rule' %}
{% include "modals/collections/new_rule_modal.html" %}
{% elif object_type == 'reaction' %}
{% include "modals/collections/new_reaction_modal.html" %}
{% elif object_type == 'pathway' %}
{# {% include "modals/collections/new_pathway_modal.html" %} #}
{% elif object_type == 'node' %}
{% include "modals/collections/new_node_modal.html" %}
{% elif object_type == 'edge' %}
{% include "modals/collections/new_edge_modal.html" %}
{% elif object_type == 'scenario' %}
{% include "modals/collections/new_scenario_modal.html" %}
{% elif object_type == 'model' %}
{% include "modals/collections/new_model_modal.html" %}
{% elif object_type == 'setting' %}
{#{% include "modals/collections/new_setting_modal.html" %}#}
{% elif object_type == 'user' %}
<div></div>
{% elif object_type == 'group' %}
{% include "modals/collections/new_group_modal.html" %}
{% endif %} {% endif %}
{% endif %} {% endblock action_modals %}
{% if unreviewed_objects %}
<div <div class="panel-group" id="reviewListAccordion">
class="panel panel-default panel-heading list-group-item" <div class="panel panel-default">
style="background-color:silver" <div class="panel-heading" id="headingPanel" style="font-size:2rem;height: 46px">
>
<h4 class="panel-title">
<a
id="UnreviewedLink"
data-toggle="collapse"
data-parent="#unReviewListAccordion"
href="#Unreviewed"
>Unreviewed</a
>
</h4>
</div>
<div
id="Unreviewed"
class="panel-collapse {% if reviewed_objects|length == 0 or object_type == 'package' %}in{% endif %} collapse"
>
<div class="panel-body list-group-item" id="UnreviewedContent">
{% if object_type == 'package' %} {% if object_type == 'package' %}
{% for obj in unreviewed_objects %} Packages
<a class="list-group-item" href="{{ obj.url }}" {% elif object_type == 'compound' %}
>{{ obj.name|safe }}</a Compounds
> {% elif object_type == 'structure' %}
{% endfor %} Compound structures
{% else %} {% elif object_type == 'rule' %}
{% for obj in unreviewed_objects|slice:":50" %} Rules
<a class="list-group-item" href="{{ obj.url }}" {% elif object_type == 'reaction' %}
>{{ obj.name|safe }}</a Reactions
> {% elif object_type == 'pathway' %}
{% endfor %} Pathways
{% elif object_type == 'node' %}
Nodes
{% elif object_type == 'edge' %}
Edges
{% elif object_type == 'scenario' %}
Scenarios
{% elif object_type == 'model' %}
Model
{% elif object_type == 'setting' %}
Settings
{% elif object_type == 'user' %}
Users
{% elif object_type == 'group' %}
Groups
{% endif %} {% endif %}
</div> <div id="actionsButton"
style="float: right;font-weight: normal;font-size: medium;position: relative; top: 50%; transform: translateY(-50%);z-index:100;display: none;"
class="dropdown"><a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button"
aria-haspopup="true" aria-expanded="false"><span
class="glyphicon glyphicon-wrench"></span> Actions <span class="caret"></span><span
style="padding-right:1em"></span></a>
<ul id="actionsList" class="dropdown-menu">
{% block actions %}
{% if object_type == 'package' %}
{% include "actions/collections/package.html" %}
{% elif object_type == 'compound' %}
{% include "actions/collections/compound.html" %}
{% elif object_type == 'structure' %}
{% include "actions/collections/compound_structure.html" %}
{% elif object_type == 'rule' %}
{% include "actions/collections/rule.html" %}
{% elif object_type == 'reaction' %}
{% include "actions/collections/reaction.html" %}
{% elif object_type == 'setting' %}
{% include "actions/collections/setting.html" %}
{% elif object_type == 'scenario' %}
{% include "actions/collections/scenario.html" %}
{% elif object_type == 'model' %}
{% include "actions/collections/model.html" %}
{% elif object_type == 'pathway' %}
{% include "actions/collections/pathway.html" %}
{% elif object_type == 'node' %}
{% include "actions/collections/node.html" %}
{% elif object_type == 'edge' %}
{% include "actions/collections/edge.html" %}
{% elif object_type == 'group' %}
{% include "actions/collections/group.html" %}
{% endif %}
{% endblock %}
</ul>
</div>
</div> </div>
{% endif %} <div class="panel-body">
{% if objects %} <!-- Set Text above links -->
<!-- Unreviewable objects such as User / Group / Setting --> {% if object_type == 'package' %}
<ul class="list-group"> <p>A package contains pathways, rules, etc. and can reflect specific experimental
{% for obj in objects %} conditions. <a target="_blank" href="https://wiki.envipath.org/index.php/packages" role="button">Learn
{% if object_type == 'user' %} more &gt;&gt;</a></p>
<a class="list-group-item" href="{{ obj.url }}" {% elif object_type == 'compound' %}
>{{ obj.username|safe }}</a <p>A compound stores the structure of a molecule and can include meta-information.
> <a target="_blank" href="https://wiki.envipath.org/index.php/compounds" role="button">Learn more
{% else %} &gt;&gt;</a></p>
<a class="list-group-item" href="{{ obj.url }}" {% elif object_type == 'structure' %}
>{{ obj.name|safe }}</a <p>The structures stored in this compound
> <a target="_blank" href="https://wiki.envipath.org/index.php/compounds" role="button">Learn more
&gt;&gt;</a></p>
{% elif object_type == 'rule' %}
<p>A rule describes a biotransformation reaction template that is defined as SMIRKS.
<a target="_blank" href="https://wiki.envipath.org/index.php/Rules" role="button">Learn more
&gt;&gt;</a></p>
{% elif object_type == 'reaction' %}
<p>A reaction is a specific biotransformation from educt compounds to product compounds.
<a target="_blank" href="https://wiki.envipath.org/index.php/reactions" role="button">Learn more
&gt;&gt;</a></p>
{% elif object_type == 'pathway' %}
<p>A pathway displays the (predicted) biodegradation of a compound as graph.
<a target="_blank" href="https://wiki.envipath.org/index.php/pathways" role="button">Learn more
&gt;&gt;</a></p>
{% elif object_type == 'node' %}
<p>Nodes represent the (predicted) compounds in a graph.
<a target="_blank" href="https://wiki.envipath.org/index.php/nodes" role="button">Learn more
&gt;&gt;</a></p>
{% elif object_type == 'edge' %}
<p>Edges represent the links between Nodes in a graph
<a target="_blank" href="https://wiki.envipath.org/index.php/edges" role="button">Learn more
&gt;&gt;</a></p>
{% elif object_type == 'scenario' %}
<p>A scenario contains meta-information that can be attached to other data (compounds, rules, ..).
<a target="_blank" href="https://wiki.envipath.org/index.php/scenarios" role="button">Learn more
&gt;&gt;</a></p>
{% elif object_type == 'model' %}
<p>A model applies machine learning to limit the combinatorial explosion.
<a target="_blank" href="https://wiki.envipath.org/index.php/relative_reasoning" role="button">Learn
more
&gt;&gt;</a></p>
{% elif object_type == 'setting' %}
<p>A setting includes configuration parameters for pathway predictions.
<a target="_blank" href="https://wiki.envipath.org/index.php/settings" role="button">Learn more
&gt;&gt;</a></p>
{% elif object_type == 'user' %}
<p>Register now to create own packages and to submit and manage your data.
<a target="_blank" href="https://wiki.envipath.org/index.php/users" role="button">Learn more
&gt;&gt;</a></p>
{% elif object_type == 'group' %}
<p>Users can team up in groups to share packages.
<a target="_blank" href="https://wiki.envipath.org/index.php/groups" role="button">Learn more
&gt;&gt;</a></p>
{% endif %} {% endif %}
{% endfor %}
<!-- If theres nothing to show extend the text above -->
{% if reviewed_objects and unreviewed_objects %}
{% if reviewed_objects|length == 0 and unreviewed_objects|length == 0 %}
<p>Nothing found. There are two possible reasons: <br><br>1. There is no content yet.<br>2. You have no
reading permissions.<br><br>Please be sure you have at least reading permissions.</p>
{% endif %}
{% endif %}
</div>
{% if reviewed_objects %}
{% if reviewed_objects|length > 0 %}
<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
<h4 class="panel-title">
<a id="ReviewedLink" data-toggle="collapse" data-parent="#reviewListAccordion"
href="#Reviewed">Reviewed</a>
</h4>
</div>
<div id="Reviewed" class="panel-collapse collapse in">
<div class="panel-body list-group-item" id="ReviewedContent">
{% if object_type == 'package' %}
{% for obj in reviewed_objects %}
<a class="list-group-item" href="{{ obj.url }}">{{ obj.name }}
<span class="glyphicon glyphicon-star" aria-hidden="true"
style="float:right" data-toggle="tooltip"
data-placement="top" title="" data-original-title="Reviewed">
</span>
</a>
{% endfor %}
{% else %}
{% for obj in reviewed_objects|slice:":50" %}
<a class="list-group-item" href="{{ obj.url }}">{{ obj.name }}{# <i>({{ obj.package.name }})</i> #}
<span class="glyphicon glyphicon-star" aria-hidden="true"
style="float:right" data-toggle="tooltip"
data-placement="top" title="" data-original-title="Reviewed">
</span>
</a>
{% endfor %}
{% endif %}
</div>
</div>
{% endif %}
{% endif %}
{% if unreviewed_objects %}
<div class="panel panel-default panel-heading list-group-item" style="background-color:silver"><h4
class="panel-title"><a id="UnreviewedLink" data-toggle="collapse" data-parent="#unReviewListAccordion"
href="#Unreviewed">Unreviewed</a></h4></div>
<div id="Unreviewed" class="panel-collapse collapse {% if reviewed_objects|length == 0 or object_type == 'package' %}in{% endif %}">
<div class="panel-body list-group-item" id="UnreviewedContent">
{% if object_type == 'package' %}
{% for obj in unreviewed_objects %}
<a class="list-group-item" href="{{ obj.url }}">{{ obj.name }}</a>
{% endfor %}
{% else %}
{% for obj in unreviewed_objects|slice:":50" %}
<a class="list-group-item" href="{{ obj.url }}">{{ obj.name }}</a>
{% endfor %}
{% endif %}
</div>
</div>
{% endif %}
{% if objects %}
<!-- Unreviewable objects such as User / Group / Setting -->
<ul class='list-group'>
{% for obj in objects %}
{% if object_type == 'user' %}
<a class="list-group-item" href="{{ obj.url }}">{{ obj.username }}</a>
{% else %}
<a class="list-group-item" href="{{ obj.url }}">{{ obj.name }}</a>
{% endif %}
{% endfor %}
</ul> </ul>
{% endif %} {% endif %}
</div> </div>
<style> <style>
.spinner-widget { .spinner-widget {
position: fixed; /* stays in place on scroll */ position: fixed; /* stays in place on scroll */
bottom: 20px; /* distance from bottom */ bottom: 20px; /* distance from bottom */
right: 20px; /* distance from right */ right: 20px; /* distance from right */
z-index: 9999; /* above most elements */ z-index: 9999; /* above most elements */
width: 60px; /* adjust to gif size */ width: 60px; /* adjust to gif size */
height: 60px; height: 60px;
} }
.spinner-widget img { .spinner-widget img {
width: 100%; width: 100%;
height: auto; height: auto;
} }
</style> </style>
<div id="load-all-loading" class="spinner-widget" style="display: none"> <div id="load-all-loading" class="spinner-widget" style="display: none">
<img <img id="loading-gif" src="{% static '/images/wait.gif' %}" alt="Loading...">
id="loading-gif"
src="{% static '/images/wait.gif' %}"
alt="Loading..."
/>
</div> </div>
</div>
{# prettier-ignore-start #} </div>
<script> <script>
$(function () { $(function () {
@ -458,7 +300,7 @@
}, 2500); }, 2500);
{% endif %} {% endif %}
{% endif %} {% endif %}
$('#modal-form-delete-submit').on('click', function (e) { $('#modal-form-delete-submit').on('click', function (e) {
e.preventDefault(); e.preventDefault();
$('#modal-form-delete').submit(); $('#modal-form-delete').submit();
@ -474,5 +316,4 @@
}); });
</script> </script>
{# prettier-ignore-end #}
{% endblock content %} {% endblock content %}

View File

@ -1,75 +1,55 @@
{% extends "framework.html" %} {% extends "framework.html" %}
{% block content %} {% block content %}
<div>
<form action="" method="post">
{% csrf_token %}
<input
type="text"
class="form-control"
id="smiles"
name="smiles"
placeholder="SMILES"
value="{{ smiles }}"
/>
<input
type="text"
class="form-control"
id="smiles"
name="smirks"
placeholder="SMIRKS"
value="{{ smirks }}"
/>
<button type="submit" class="btn btn-primary">Test</button>
</form>
</div>
{% if result %}
{{ smiles }}
<p></p>
<img
width="400"
src="{% url 'depict' %}?smiles={{ smiles|urlencode }}"
/><br />
<p></p>
{% if rule %}
{{ smirks }}
<p></p>
{{ rule.reactants_smarts }}
<p></p>
{{ rule.products_smarts }}
<p></p>
<div>{{ rule.as_svg|safe }}</div>
{% endif %}
<h2>Diff</h2>
{% if diff %}
{% for d in diff %}
{{ d }}
{% endfor %}
{% else %}
{{ "No diff" }}
{% endif %}
<div> <div>
<div class="col-md-6"> <form action="" method="post">
<h2>Ambit</h2> {% csrf_token %}
{% for p in ambit_res %} <input type="text" class="form-control" id="smiles" name="smiles" placeholder="SMILES"
{{ p }}<br /> value="{{ smiles }}"/>
<img <input type="text" class="form-control" id="smiles" name="smirks" placeholder="SMIRKS"
width="400" value="{{ smirks }}"/>
src="{% url 'depict' %}?smiles={{ p|urlencode }}" <button type="submit" class="btn btn-primary">Test</button>
/><br /> </form>
{% endfor %}
</div>
<div class="col-md-6">
<h2>RDKit</h2>
{% for p in rdkit_res %}
{{ p }}<br />
<img
width="400"
src="{% url 'depict' %}?smiles={{ p|urlencode }}"
/><br />
{% endfor %}
</div>
</div> </div>
{% endif %} {% if result %}
{{ smiles }}<p></p>
<img width='400' src='{% url 'depict' %}?smiles={{ smiles|urlencode }}'><br>
<p></p>
{% if rule %}
{{ smirks }}
<p></p>
{{ rule.reactants_smarts }}
<p></p>
{{ rule.products_smarts }}
<p></p>
<div>
{{ rule.as_svg|safe }}
</div>
{% endif %}
<h2>Diff</h2>
{% if diff %}
{% for d in diff %}
{{ d }}
{% endfor %}
{% else %}
{{ "No diff" }}
{% endif %}
<div>
<div class="col-md-6">
<h2>Ambit</h2>
{% for p in ambit_res %}
{{ p }}<br>
<img width='400' src='{% url 'depict' %}?smiles={{ p|urlencode }}'><br>
{% endfor %}
</div>
<div class="col-md-6">
<h2>RDKit</h2>
{% for p in rdkit_res %}
{{ p }}<br>
<img width='400' src='{% url 'depict' %}?smiles={{ p|urlencode }}'><br>
{% endfor %}
</div>
</div>
{% endif %}
{% endblock content %} {% endblock content %}

View File

@ -1,18 +1,15 @@
{% extends "framework.html" %} {% extends "framework.html" %}
{% load static %} {% load static %}
{% block content %} {% block content %}
<div class="alert alert-error" role="alert">
<div class="alert alert-error" role="alert">
<h4 class="alert-heading">Bad Request!</h4> <h4 class="alert-heading">Bad Request!</h4>
<p>Lorem</p> <p>Lorem</p>
<hr /> <hr>
<p class="mb-0"> <p class="mb-0">
You can find out more about permissions in our You can find out more about permissions in our <a target="_blank"
<a href="https://wiki.envipath.org/index.php/packages"
target="_blank" role="button">Wiki &gt;&gt;</a></p>
href="https://wiki.envipath.org/index.php/packages" </div>
role="button"
>Wiki &gt;&gt;</a
>
</p>
</div>
{% endblock content %} {% endblock content %}

View File

@ -1,18 +1,15 @@
{% extends "framework.html" %} {% extends "framework.html" %}
{% load static %} {% load static %}
{% block content %} {% block content %}
<div class="alert alert-error" role="alert">
<div class="alert alert-error" role="alert">
<h4 class="alert-heading">Access Denied!</h4> <h4 class="alert-heading">Access Denied!</h4>
<p>Access to X denied.</p> <p>Access to X denied. </p>
<hr /> <hr>
<p class="mb-0"> <p class="mb-0">
You can find out more about permissions in our You can find out more about permissions in our <a target="_blank"
<a href="https://wiki.envipath.org/index.php/packages"
target="_blank" role="button">Wiki &gt;&gt;</a></p>
href="https://wiki.envipath.org/index.php/packages" </div>
role="button"
>Wiki &gt;&gt;</a
>
</p>
</div>
{% endblock content %} {% endblock content %}

View File

@ -1,18 +1,15 @@
{% extends "framework.html" %} {% extends "framework.html" %}
{% load static %} {% load static %}
{% block content %} {% block content %}
<div class="alert alert-error" role="alert">
<div class="alert alert-error" role="alert">
<h4 class="alert-heading">Not Found!</h4> <h4 class="alert-heading">Not Found!</h4>
<p>Does not exist</p> <p>Does not exist</p>
<hr /> <hr>
<p class="mb-0"> <p class="mb-0">
You can find out more about permissions in our You can find out more about permissions in our <a target="_blank"
<a href="https://wiki.envipath.org/index.php/packages"
target="_blank" role="button">Wiki &gt;&gt;</a></p>
href="https://wiki.envipath.org/index.php/packages" </div>
role="button"
>Wiki &gt;&gt;</a
>
</p>
</div>
{% endblock content %} {% endblock content %}

View File

@ -1,9 +1,13 @@
{% extends "framework.html" %} {% extends "framework.html" %}
{% load static %} {% load static %}
{% block content %} {% block content %}
<div class="alert alert-danger" role="alert">
<h4 class="alert-heading">{{ error_message }}</h4> <div class="alert alert-danger" role="alert">
<hr /> <h4 class="alert-heading">{{ error_message }}</h4>
<p class="mb-0">{{ error_detail }}</p> <hr>
</div> <p class="mb-0">
{{ error_detail }}
</p>
</div>
{% endblock content %} {% endblock content %}

View File

@ -1,11 +1,12 @@
{% extends "framework.html" %} {% extends "framework.html" %}
{% load static %} {% load static %}
{% block content %} {% block content %}
<div class="alert alert-danger" role="alert">
<h4 class="alert-heading">Your account has not been activated yet!</h4> <div class="alert alert-danger" role="alert">
<p> <h4 class="alert-heading">Your account has not been activated yet!</h4>
Your account has not been activated yet. If you have questions <p>Your account has not been activated yet. If you have questions <a href="mailto:admin@envipath.org">contact
<a href="mailto:admin@envipath.org">contact us.</a> us.</a>
</p> </p>
</div> </div>
{% endblock content %} {% endblock content %}

View File

@ -1,106 +1,77 @@
<!doctype html> <!DOCTYPE html>
<html data-theme="envipath"> <html>
{% load static %} {% load static %}
<head> <head>
<title>{{ title }}</title> <title>{{ title }}</title>
<meta name="csrf-token" content="{{ csrf_token }}" /> <style>
{# Favicon #} html, body {
<link height: 100%; /* ensure body fills viewport */
rel="shortcut icon" overflow-x: hidden; /* prevent horizontal scroll */
type="image/png" }
href="{% static 'images/favicon.ico' %}" </style>
/> {# TODO use bundles from bootstrap 3.3.7 #}
{# Tailwind CSS disabled for legacy Bootstrap framework #}
{# Pages using this framework will be migrated to framework_modern.html incrementally #}
{# <link href="{% static 'css/output.css' %}" rel="stylesheet" type="text/css"/> #}
{# Legacy Bootstrap 3.3.7 - scoped to .legacy-bootstrap #}
<script src="https://ajax.googleapis.com/ajax/libs/jquery/3.1.1/jquery.min.js"></script> <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.1.1/jquery.min.js"></script>
<link <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css">
rel="stylesheet"
href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css"
/>
<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js"></script> <script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js"></script>
<script src="https://ajax.aspnetcdn.com/ajax/jquery.templates/beta1/jquery.tmpl.js"></script> <script src="https://ajax.aspnetcdn.com/ajax/jquery.templates/beta1/jquery.tmpl.js"></script>
<link <link href="https://netdna.bootstrapcdn.com/font-awesome/4.0.3/css/font-awesome.css" rel="stylesheet">
href="https://netdna.bootstrapcdn.com/font-awesome/4.0.3/css/font-awesome.css" <link rel="stylesheet"
rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/bootstrap-select/1.7.3/css/bootstrap-select.min.css">
/>
<link
rel="stylesheet"
href="https://cdnjs.cloudflare.com/ajax/libs/bootstrap-select/1.7.3/css/bootstrap-select.min.css"
/>
<script src="https://cdnjs.cloudflare.com/ajax/libs/bootstrap-select/1.7.3/js/bootstrap-select.min.js"></script> <script src="https://cdnjs.cloudflare.com/ajax/libs/bootstrap-select/1.7.3/js/bootstrap-select.min.js"></script>
<script src="https://community.envipath.org/javascripts/embed-topics.js"></script> <script src="https://community.envipath.org/javascripts/embed-topics.js"></script>
<!-- CDN END --> <!-- CDN END -->
<meta name="csrf-token" content="{{ csrf_token }}">
{# Bootstrap compatibility styles #}
<style>
/* Ensure proper viewport behavior */
html,
body {
height: 100%; /* ensure body fills viewport */
overflow-x: hidden; /* prevent horizontal scroll */
}
</style>
<script> <script>
const csrftoken = document.querySelector("[name=csrf-token]").content; const csrftoken = document.querySelector('[name=csrf-token]').content;
// Setup CSRF header for all jQuery AJAX requests // Setup CSRF header for all jQuery AJAX requests
$.ajaxSetup({ $.ajaxSetup({
beforeSend: function (xhr, settings) { beforeSend: function(xhr, settings) {
if (!/^(GET|HEAD|OPTIONS|TRACE)$/i.test(settings.type)) { if (!/^(GET|HEAD|OPTIONS|TRACE)$/i.test(settings.type)) {
xhr.setRequestHeader("X-CSRFToken", csrftoken); xhr.setRequestHeader("X-CSRFToken", csrftoken);
} }
}, }
}); });
</script> </script>
{# Favicon #}
<link rel="shortcut icon" type="image/png" href="{% static 'images/favicon.ico' %}"/>
<!-- {# C3 CSS #}--> <!-- {# C3 CSS #}-->
<!-- <link id="css-c3" href="{% static 'css/c3.css' %}" rel="stylesheet" type="text/css"/>--> <!-- <link id="css-c3" href="{% static 'css/c3.css' %}" rel="stylesheet" type="text/css"/>-->
<!-- {# EP CSS #}--> <!-- {# EP CSS #}-->
<!-- <link id="css-pps_white_general" href="{% static 'css/epp.css' %}" rel="stylesheet" type="text/css"/>--> <!-- <link id="css-pps_white_general" href="{% static 'css/epp.css' %}" rel="stylesheet" type="text/css"/>-->
{# General EP JS #} {# General EP JS #}
<script src="{% static 'js/pps.js' %}"></script> <script src="{% static 'js/pps.js' %}"></script>
{# Modal Steps for Stepwise Modal Wizards #} {# Modal Steps for Stepwise Modal Wizards #}
<script src="{% static 'js/jquery-bootstrap-modal-steps.js' %}"></script> <script src="{% static 'js/jquery-bootstrap-modal-steps.js' %}"></script>
{% if not debug %} {% if not debug %}
<!-- Matomo --> <!-- Matomo -->
<script> <script>
var _paq = (window._paq = window._paq || []); var _paq = window._paq = window._paq || [];
/* tracker methods like "setCustomDimension" should be called before "trackPageView" */ /* tracker methods like "setCustomDimension" should be called before "trackPageView" */
_paq.push(["trackPageView"]); _paq.push(['trackPageView']);
_paq.push(["enableLinkTracking"]); _paq.push(['enableLinkTracking']);
(function () { (function () {
var u = "//matomo.envipath.com/"; var u = "//matomo.envipath.com/";
_paq.push(["setTrackerUrl", u + "matomo.php"]); _paq.push(['setTrackerUrl', u + 'matomo.php']);
_paq.push(["setSiteId", "{{ meta.site_id }}"]); _paq.push(['setSiteId', '10']);
var d = document, var d = document, g = d.createElement('script'), s = d.getElementsByTagName('script')[0];
g = d.createElement("script"), g.async = true;
s = d.getElementsByTagName("script")[0]; g.src = u + 'matomo.js';
g.async = true; s.parentNode.insertBefore(g, s);
g.src = u + "matomo.js"; })();
s.parentNode.insertBefore(g, s); </script>
})(); <!-- End Matomo Code -->
</script>
<!-- End Matomo Code -->
{% endif %} {% endif %}
</head>
<body> </head>
<!-- Legacy Bootstrap navbar - isolated from Tailwind --> <body>
<div class="legacy-bootstrap"> <nav class="navbar navbar-default navbar-inverse" style="border-radius:0px;" role="navigation">
<nav <div class="container-fluid">
class="navbar navbar-default navbar-inverse" <!-- Brand and toggle get grouped for better mobile display -->
style="border-radius:0px;" <div class="navbar-header navbar-header-framework">
role="navigation"
>
<div class="container-fluid">
<!-- Brand and toggle get grouped for better mobile display -->
<div class="navbar-header navbar-header-framework">
<!-- <button type="button" class="navbar-toggle navbar-toggle-framework" data-toggle="collapse"--> <!-- <button type="button" class="navbar-toggle navbar-toggle-framework" data-toggle="collapse"-->
<!-- data-target="#navbarCollapse">--> <!-- data-target="#navbarCollapse">-->
<!-- <span class="sr-only">Toggle navigation</span>--> <!-- <span class="sr-only">Toggle navigation</span>-->
@ -108,310 +79,198 @@
<!-- <span class="icon-bar"></span>--> <!-- <span class="icon-bar"></span>-->
<!-- <span class="icon-bar"></span>--> <!-- <span class="icon-bar"></span>-->
<!-- </button>--> <!-- </button>-->
<a <a id="pictureLink" href="{{ meta.server_url }}" class="navbar-brand">
id="pictureLink" <img id="image-logo-short-white.svg" src='{% static "/images/logo-short-white.svg" %}' width="100"
href="{{ meta.server_url }}" alt="enviPath">
class="navbar-brand"
>
<img
id="image-logo-short-white.svg"
src="{% static "/images/logo-short-white.svg" %}"
width="100"
alt="enviPath"
/>
</a> </a>
</div> </div>
<!-- Collect the nav links, forms, and other content for toggling --> <!-- Collect the nav links, forms, and other content for toggling -->
<div <div class="collapse navbar-collapse collapse-framework navbar-collapse-framework" id="navbarCollapse">
class="navbar-collapse collapse-framework navbar-collapse-framework collapse"
id="navbarCollapse"
>
<ul class="nav navbar-nav navbar-nav-framework"> <ul class="nav navbar-nav navbar-nav-framework">
<li>
<a href="{{ meta.server_url }}/predict"> Predict Pathway </a>
</li>
{# <li class="dropdown">#}
{# <a data-toggle="dropdown" class="dropdown-toggle" href="#">Predict Pathway<b class="caret"></b></a>#}
{# <ul role="menu" class="dropdown-menu">#}
{# <li>#}
{# <a class="button" data-toggle="modal" data-target="#predict_modal">#}
{# <i class=" glyphicon glyphicon-tag"></i> Predict Pathway#}
{# </a>#}
{# </li>#}
{# <li>#}
{# <a class="button" data-toggle="modal" data-target="#batch_predict_modal">#}
{# <i class=" glyphicon glyphicon-tags"></i> Batch Prediction#}
{# </a>#}
{# </li>#}
{# </ul>#}
{# </li>#}
<li>
<a href="{{ meta.server_url }}/package" id="packageLink"
>Package</a
>
</li>
<li>
<a href="{{ meta.server_url }}/model" id="modelLink"
>Modelling</a
>
</li>
<li class="dropdown">
<a data-toggle="dropdown" class="dropdown-toggle" href="#"
>Browse Data<b class="caret"></b
></a>
<ul role="menu" class="dropdown-menu">
<li>
<a href="{{ meta.server_url }}/pathway" id="pathwayLink"
>Pathway</a
>
</li>
<li>
<a href="{{ meta.server_url }}/rule" id="ruleLink">Rule</a>
</li>
<li>
<a href="{{ meta.server_url }}/compound" id="compoundLink"
>Compound</a
>
</li>
<li>
<a href="{{ meta.server_url }}/reaction" id="reactionLink"
>Reaction</a
>
</li>
<li>
<a
href="{{ meta.server_url }}/model"
id="relative-reasoningLink"
>Model</a
>
</li>
<li>
<a href="{{ meta.server_url }}/scenario" id="scenarioLink"
>Scenario</a
>
</li>
{# <li><a href="{{ meta.server_url }}/setting" id="settingLink">Setting</a></li>#}
{# <li><a href="{{ meta.server_url }}/user" id="userLink">User</a></li>#}
{# <li><a href="{{ meta.server_url }}/group" id="groupLink">Group</a></li>#}
</ul>
</li>
</ul>
<ul
class="nav navbar-nav navbar-right navbar-nav-framework navbar-right-framework"
>
<li>
<a href="https://community.envipath.org/" id="communityLink"
>Community</a
>
</li>
<li class="dropdown">
<a data-toggle="dropdown" class="dropdown-toggle" href="#"
>Info <b class="caret"></b
></a>
<ul role="menu" class="dropdown-menu">
<!--<li><a href="{{ meta.server_url }}/funding" id="fundingLink">Funding</a></li>-->
<li>
<a
href="https://community.envipath.org/t/envipath-license/109"
id="licenceLink"
>Licences</a
>
</li>
<li class="divider"></li>
<li>
<a
target="_blank"
href="https://wiki.envipath.org/"
id="wikiLink"
>Documentation Wiki</a
>
</li>
<li>
<a
href="#"
id="citeButton"
data-toggle="modal"
data-target="#citemodal"
>How to cite enviPath</a
>
</li>
<li class="divider"></li>
<li><a>Version: {{ meta.version }}</a></li>
</ul>
</li>
{% if meta.user.username == 'anonymous' %}
<li> <li>
<a <a href="#" data-toggle="modal" data-target="#predict_modal">
href="{% url 'login' %}" Predict Pathway
id="loginButton" </a>
style="margin-right:10px"
>Login</a
>
</li> </li>
{% else %} {# <li class="dropdown">#}
{# <a data-toggle="dropdown" class="dropdown-toggle" href="#">Predict Pathway<b class="caret"></b></a>#}
{# <ul role="menu" class="dropdown-menu">#}
{# <li>#}
{# <a class="button" data-toggle="modal" data-target="#predict_modal">#}
{# <i class=" glyphicon glyphicon-tag"></i> Predict Pathway#}
{# </a>#}
{# </li>#}
{# <li>#}
{# <a class="button" data-toggle="modal" data-target="#batch_predict_modal">#}
{# <i class=" glyphicon glyphicon-tags"></i> Batch Prediction#}
{# </a>#}
{# </li>#}
{# </ul>#}
{# </li>#}
<li><a href="{{ meta.server_url }}/package" id="packageLink">Package</a></li>
<li><a href="{{ meta.server_url }}/search" id="searchLink">Search</a></li>
<li><a href="{{ meta.server_url }}/model" id="modelLink">Modelling</a></li>
<li class="dropdown"> <li class="dropdown">
<a <a data-toggle="dropdown" class="dropdown-toggle" href="#">Browse Data<b class="caret"></b></a>
data-toggle="dropdown" <ul role="menu" class="dropdown-menu">
id="loggedInButton" <li><a href="{{ meta.server_url }}/pathway" id="pathwayLink">Pathway</a></li>
class="dropdown-toggle" <li><a href="{{ meta.server_url }}/rule" id="ruleLink">Rule</a></li>
id="logedInButton" <li><a href="{{ meta.server_url }}/compound" id="compoundLink">Compound</a></li>
href="#" <li><a href="{{ meta.server_url }}/reaction" id="reactionLink">Reaction</a></li>
> <li><a href="{{ meta.server_url }}/model" id="relative-reasoningLink">Model</a></li>
<div id="username"> <li><a href="{{ meta.server_url }}/scenario" id="scenarioLink">Scenario</a></li>
{{ user.username }}<b class="caret"></b> {# <li><a href="{{ meta.server_url }}/setting" id="settingLink">Setting</a></li>#}
</div> {# <li><a href="{{ meta.server_url }}/user" id="userLink">User</a></li>#}
</a> {# <li><a href="{{ meta.server_url }}/group" id="groupLink">Group</a></li>#}
<ul role="menu" class="dropdown-menu"> </ul>
<li>
<a href="{{ meta.user.url }}" id="accountbutton"
>My Account</a
>
</li>
<li class="divider"></li>
<form
class="navbar-form navbar-left navbar-left-framework"
role="logout"
action="{% url 'logout' %}"
method="post"
>
{% csrf_token %}
<div class="form-group">
<input type="hidden" name="logout" value="true" />
</div>
<button type="submit" class="btn btn-default">
Logout
</button>
</form>
</ul>
</li> </li>
{% endif %}
</ul>
</div>
</div>
</nav>
</div>
<!-- End legacy Bootstrap navbar -->
<div id="docContent" class="content container"> </ul>
{% if breadcrumbs %}
<div id="bread"> <ul class="nav navbar-nav navbar-right navbar-nav-framework navbar-right-framework">
<ol class="breadcrumb"> <li><a href="https://community.envipath.org/" id="communityLink">Community</a></li>
{% for elem in breadcrumbs %} <li class="dropdown">
{% for name, url in elem.items %} <a data-toggle="dropdown" class="dropdown-toggle" href="#">Info <b class="caret"></b></a>
{% if forloop.parentloop.last %} <ul role="menu" class="dropdown-menu">
<li class="active">{{ name }}</li> <!--<li><a href="{{ meta.server_url }}/funding" id="fundingLink">Funding</a></li>-->
<li><a href="https://community.envipath.org/t/envipath-license/109" id="licenceLink">Licences</a></li>
<li class="divider"></li>
<li><a target="_blank" href="https://wiki.envipath.org/" id="wikiLink">Documentation Wiki</a>
</li>
<li><a href="#" id="citeButton" data-toggle="modal" data-target="#citemodal">How to cite
enviPath</a></li>
<li class="divider"></li>
<li><a>Version: {{ meta.version }}</a></li>
</ul>
</li>
{% if meta.user.username == 'anonymous' %}
<li>
<a href="#signup" id="loginButton" data-toggle="modal" data-target="#signupmodal"
style="margin-right:10px">Login</a>
</li>
{% else %} {% else %}
<li> <li class="dropdown">
<a href="{{ url }}">{{ name }}</a> <a data-toggle="dropdown" id="loggedInButton" class="dropdown-toggle" id="logedInButton"
</li> href="#">
<div id="username">
{{ user.username }}<b class="caret"></b>
</div>
</a>
<ul role="menu" class="dropdown-menu">
<li>
<a href="{{ meta.user.url }}" id="accountbutton">My Account</a>
</li>
<li class="divider"></li>
<form class="navbar-form navbar-left navbar-left-framework" role="logout"
action="{% url 'logout' %}" method="post">
{% csrf_token %}
<div class="form-group">
<input type="hidden" name="logout" value="true">
</div>
<button type="submit" class="btn btn-default">Logout</button>
</form>
</ul>
</li>
{% endif %} {% endif %}
{% endfor %} </ul>
{% endfor %}
</ol>
</div> </div>
{% endif %} </div>
{% if message %} </nav>
<div id="message">{{ message }}</div> <div id="docContent" class="content container">
{% endif %} {% if breadcrumbs %}
{% block content %} <div id="bread">
{% endblock content %} <ol class="breadcrumb">
{% if meta.url_contains_package and meta.current_package.license %} {% for elem in breadcrumbs %}
{% for name, url in elem.items %}
{% if forloop.parentloop.last %}
<li class="active">{{ name }}</li>
{% else %}
<li>
<a href="{{ url }}">{{ name }}</a>
</li>
{% endif %}
{% endfor %}
{% endfor %}
</ol>
</div>
{% endif %}
{% if message %}
<div id="message">
{{ message }}
</div>
{% endif %}
{% block content %}
{% endblock content %}
{% if meta.url_contains_package and meta.current_package.license %}
<p></p> <p></p>
<div class="panel-group" id="license_accordion"> <div class="panel-group" id="license_accordion">
<div <div class="panel panel-default list-group-item" style="background-color:#f5f5f5">
class="panel panel-default list-group-item" <div class="panel-title">
style="background-color:#f5f5f5" <a data-toggle="collapse" data-parent="#licence_accordion" href="#license">License</a>
> </div>
<div class="panel-title">
<a
data-toggle="collapse"
data-parent="#licence_accordion"
href="#license"
>License</a
>
</div> </div>
</div> <div id="license" class="panel-collapse collapse in">
<div id="license" class="panel-collapse in collapse"> <div class="panel-body list-group-item">
<div class="panel-body list-group-item"> <a target="_blank" href="{{ meta.current_package.license.link }}">
<a target="_blank" href="{{ meta.current_package.license.link }}"> <img src="{{ meta.current_package.license.image_link }}">
<img src="{{ meta.current_package.license.image_link }}" /> </a>
</a> </div>
</div> </div>
</div>
</div> </div>
{% endif %} {% endif %}
</div> </div>
<!-- FOOTER - Legacy Bootstrap --> <!-- FOOTER -->
<div class="legacy-bootstrap"> <div class="container text-center">
<div class="container text-center"> <hr/>
<hr /> <div class="row">
<div class="row">
<div class="col-lg-12">
<ul class="nav nav-pills nav-justified">
<li>
<a href="http://ml.auckland.ac.nz" target="_blank">
<img
id="image-uoalogo"
height="60"
src="{% static "/images/UoA-Logo-Primary-RGB-Small.png" %}"
alt="The Univserity of Auckland"
/>
</a>
</li>
<li>
<a href="https://eawag.ch" target="_blank">
<img
id="image-ealogo"
height="60"
src="{% static "/images/ealogo.gif" %}"
alt="Eawag"
/>
</a>
</li>
<li>
<a href="https://www.uzh.ch/" target="_blank">
<img
id="image-ufzlogo"
height="60"
src="{% static "/images/uzh-logo.svg" %}"
alt="University of Zurich"
/>
</a>
</li>
</ul>
</div>
</div>
</div>
<div class="row">
<div class="col-lg-12"> <div class="col-lg-12">
<ul class="nav nav-pills nav-justified"> <ul class="nav nav-pills nav-justified">
<li>
<a href="http://ml.auckland.ac.nz" target="_blank">
<img id="image-uoalogo" height="60" src='{% static "/images/UoA-Logo-Primary-RGB-Small.png" %}'
alt="The Univserity of Auckland"/>
</a>
</li>
<li>
<a href="https://eawag.ch" target="_blank">
<img id="image-ealogo" height="60" src='{% static "/images/ealogo.gif" %}' alt="Eawag"/>
</a>
</li>
<li>
<a href="https://www.uzh.ch/" target="_blank">
<img id="image-ufzlogo" height="60" src='{% static "/images/uzh-logo.svg" %}'
alt="University of Zurich"/>
</a>
</li>
</ul>
</div>
</div>
</div>
<div class="row">
<div class="col-lg-12">
<ul class="nav nav-pills nav-justified">
<!-- <li><a href="https://envipath.com/imprint/" target="_blank">Impressum/Imprint</a></li>--> <!-- <li><a href="https://envipath.com/imprint/" target="_blank">Impressum/Imprint</a></li>-->
<li> <li><a href="mailto:admin@envipath.org" target="_blank">Contact</a></li>
<a href="mailto:admin@envipath.org" target="_blank">Contact</a>
</li>
<!-- <li><a href="http://envipath.com" target="_blank"> enviPath UG (haftungsbeschr&auml;nkt) &amp; Co. KG &copy;--> <!-- <li><a href="http://envipath.com" target="_blank"> enviPath UG (haftungsbeschr&auml;nkt) &amp; Co. KG &copy;-->
<!-- {{ YEAR }}</a></li>--> <!-- {{ YEAR }}</a></li>-->
</ul> </ul>
</div>
</div>
</div> </div>
<!-- End legacy Bootstrap footer --> </div>
<script>
<script> $(function () {
$(function () {
// Hide actionsbutton if theres no action defined // Hide actionsbutton if theres no action defined
if ($("#actionsButton ul").children().length > 0) { if ($('#actionsButton ul').children().length > 0) {
$("#actionsButton").show(); $('#actionsButton').show();
} }
}); });
</script> </script>
{% block modals %} {% block modals %}
{% include "modals/cite_modal.html" %} {% include "modals/cite_modal.html" %}
{% include "modals/predict_modal.html" %} {% include "modals/signup_modal.html" %}
{% include "modals/batch_predict_modal.html" %} {% include "modals/predict_modal.html" %}
{% endblock %} {% include "modals/batch_predict_modal.html" %}
</body> {% endblock %}
</body>
</html> </html>

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@ -1,223 +0,0 @@
<!doctype html>
<html data-theme="envipath" lang="en">
{% load static %}
<head>
<title>{{ title }}</title>
<meta charset="UTF-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<meta name="csrf-token" content="{{ csrf_token }}" />
{# Favicon #}
<link
rel="shortcut icon"
type="image/png"
href="{% static 'images/favicon.ico' %}"
/>
{# Tailwind CSS + DaisyUI Output #}
<link
href="{% static 'css/output.css' %}"
rel="stylesheet"
type="text/css"
/>
{# jQuery - Keep for compatibility with existing JS #}
<script src="https://ajax.googleapis.com/ajax/libs/jquery/3.1.1/jquery.min.js"></script>
{# Font Awesome #}
<link
href="https://netdna.bootstrapcdn.com/font-awesome/4.0.3/css/font-awesome.css"
rel="stylesheet"
/>
{# Discourse embed for community #}
<script src="https://community.envipath.org/javascripts/embed-topics.js"></script>
<script>
const csrftoken = document.querySelector("[name=csrf-token]").content;
// Setup CSRF header for all jQuery AJAX requests
$.ajaxSetup({
beforeSend: function (xhr, settings) {
if (!/^(GET|HEAD|OPTIONS|TRACE)$/i.test(settings.type)) {
xhr.setRequestHeader("X-CSRFToken", csrftoken);
}
},
});
</script>
{# General EP JS #}
<script src="{% static 'js/pps.js' %}"></script>
{# Modal Steps for Stepwise Modal Wizards #}
<script src="{% static 'js/jquery-bootstrap-modal-steps.js' %}"></script>
{% if not debug %}
<!-- Matomo -->
<script>
var _paq = (window._paq = window._paq || []);
_paq.push(["trackPageView"]);
_paq.push(["enableLinkTracking"]);
(function () {
var u = "//matomo.envipath.com/";
_paq.push(["setTrackerUrl", u + "matomo.php"]);
_paq.push(["setSiteId", "{{ meta.site_id }}"]);
var d = document,
g = d.createElement("script"),
s = d.getElementsByTagName("script")[0];
g.async = true;
g.src = u + "matomo.js";
s.parentNode.insertBefore(g, s);
})();
</script>
<!-- End Matomo Code -->
{% endif %}
</head>
<body class="bg-base-300 min-h-screen">
{% include "includes/navbar.html" %}
{# Main Content Area #}
<main class="w-full">
{% block main_content %}
{# Breadcrumbs - outside main content, optional #}
{% if breadcrumbs %}
<div id="bread" class="mx-auto max-w-7xl px-4 py-4">
<div class="breadcrumbs text-sm">
<ul>
{% for elem in breadcrumbs %}
{% for name, url in elem.items %}
{% if forloop.parentloop.last %}
<li>{{ name }}</li>
{% else %}
<li><a href="{{ url }}">{{ name }}</a></li>
{% endif %}
{% endfor %}
{% endfor %}
</ul>
</div>
</div>
{% endif %}
{# Main content container - paper effect on medium+ screens #}
<div
id="docContent"
class="bg-base-100 mx-auto md:my-8 md:max-w-6xl md:rounded-lg md:shadow-xl"
>
{# Messages - inside paper #}
{% if message %}
<div id="message" class="alert alert-info m-4">{{ message }}</div>
{% endif %}
{# Page content - no enforced styles #}
{% block content %}
{% endblock content %}
{# License - inside paper if present #}
{% if meta.url_contains_package and meta.current_package.license %}
<div class="collapse-arrow bg-base-200 collapse p-8">
<input type="checkbox" checked />
<div class="collapse-title text-xl font-medium">License</div>
<div class="collapse-content">
<a
target="_blank"
href="{{ meta.current_package.license.link }}"
>
<img
src="{{ meta.current_package.license.image_link }}"
alt="License"
/>
</a>
</div>
</div>
{% endif %}
</div>
{% endblock main_content %}
</main>
{% include "includes/footer.html" %}
{# Floating Help Tab #}
{% if not public_mode %}
<div class="fixed top-1/2 right-0 z-50 -translate-y-1/2">
<a
href="https://community.envipath.org/"
target="_blank"
class="btn btn-secondary hover:btn-secondary-focus text-secondary-content flex items-center justify-center text-sm shadow-lg transition-all duration-300 hover:-translate-x-1 hover:scale-105"
title="Get Help from the Community"
>
<svg
xmlns="http://www.w3.org/2000/svg"
width="24"
height="24"
viewBox="0 0 24 24"
fill="none"
stroke="currentColor"
stroke-width="2"
stroke-linecap="round"
stroke-linejoin="round"
class="lucide lucide-message-circle-question-mark-icon lucide-message-circle-question-mark"
>
<path
d="M2.992 16.342a2 2 0 0 1 .094 1.167l-1.065 3.29a1 1 0 0 0 1.236 1.168l3.413-.998a2 2 0 0 1 1.099.092 10 10 0 1 0-4.777-4.719"
/>
<path d="M9.09 9a3 3 0 0 1 5.83 1c0 2-3 3-3 3" />
<path d="M12 17h.01" />
</svg>
</a>
</div>
{% endif %}
{% block modals %}
{% include "modals/search_modal.html" %}
{% endblock %}
<script>
$(function () {
// Hide actionsbutton if there's no action defined
if ($("#actionsButton ul").children().length > 0) {
$("#actionsButton").show();
}
});
// Open search modal function
function openSearchModal() {
const searchModal = document.getElementById("search_modal");
if (searchModal) {
searchModal.showModal();
}
}
// Click handler for search badge
const searchTrigger = document.getElementById("search-trigger");
if (searchTrigger) {
searchTrigger.addEventListener("click", function (event) {
event.preventDefault();
openSearchModal();
});
}
// Global keyboard shortcut for search (Cmd+K on Mac, Ctrl+K on Windows/Linux)
document.addEventListener("keydown", function (event) {
// Check if user is typing in an input field
const activeElement = document.activeElement;
const isInputField =
activeElement &&
(activeElement.tagName === "INPUT" ||
activeElement.tagName === "TEXTAREA" ||
activeElement.contentEditable === "true");
if (isInputField) {
return; // Don't trigger shortcut when typing in input fields
}
// Check for Cmd+K (Mac) or Ctrl+K (Windows/Linux)
const isMac = /Mac/.test(navigator.platform);
const isCorrectModifier = isMac ? event.metaKey : event.ctrlKey;
if (isCorrectModifier && event.key === "k") {
event.preventDefault();
openSearchModal();
}
});
</script>
</body>
</html>

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@ -1,94 +0,0 @@
{% load static %}
<div class="bg-base-300 text-base-content mx-auto mt-10 lg:max-w-5xl">
<footer class="footer sm:footer-horizontal p-10">
{% if not public_mode %}
<nav>
<h6 class="footer-title">Services</h6>
<a class="link link-hover" href="/predict">Predict</a>
<a class="link link-hover" href="/package">Packages</a>
{% if user.is_authenticated %}
<a class="link link-hover" href="/model">Your Collections</a>
{% endif %}
<a
href="https://wiki.envipath.org/"
target="_blank"
class="link link-hover"
>Documentation</a
>
</nav>
{% endif %}
<nav>
<h6 class="footer-title">Company</h6>
<a class="link link-hover" href="/about">About us</a>
<a class="link link-hover" href="/contact">Contact us</a>
<a class="link link-hover" href="/careers">Careers</a>
<a class="link link-hover" href="/legal">Legal</a>
</nav>
<nav>
<h6 class="footer-title">Legal</h6>
<a class="link link-hover" href="/terms">Terms of use</a>
<a class="link link-hover" href="/privacy">Privacy policy</a>
<a class="link link-hover" href="/cookie-policy">Cookie policy</a>
<a class="link link-hover" href="/cite">Cite enviPath</a>
</nav>
</footer>
<footer class="footer border-t-2 border-neutral-300 px-10 py-4">
<div class="flex w-full flex-row items-start justify-between">
<aside class="grid-flow-col items-center">
<svg
class="fill-neutral-content m-2 h-14 flex-shrink-0"
viewbox="0 0 65 65"
>
<use
href="{% static "/images/logo-square.svg" %}#ep-logo-square"
></use>
</svg>
enviPath Ltd.
<br />
Biodegredation prediction since 2015.
</aside>
<aside class="text-base-200 mt-2 text-sm">
<span class="text-xs tracking-tight">Version</span>
<span class="text-base font-bold">{{ meta.version }}</span>
</aside>
</div>
<nav class="md:place-self-center md:justify-self-end">
<div class="grid grid-flow-col gap-4">
<a href="https://www.youtube.com/@envipath7231" target="_blank">
<svg
role="img"
viewBox="0 0 24 24"
xmlns="http://www.w3.org/2000/svg"
class="h-6 w-6 fill-current"
>
<title>YouTube</title>
<path
d="M23.498 6.186a3.016 3.016 0 0 0-2.122-2.136C19.505 3.545 12 3.545 12 3.545s-7.505 0-9.377.505A3.017 3.017 0 0 0 .502 6.186C0 8.07 0 12 0 12s0 3.93.502 5.814a3.016 3.016 0 0 0 2.122 2.136c1.871.505 9.376.505 9.376.505s7.505 0 9.377-.505a3.015 3.015 0 0 0 2.122-2.136C24 15.93 24 12 24 12s0-3.93-.502-5.814zM9.545 15.568V8.432L15.818 12l-6.273 3.568z"
/>
</svg>
</a>
<a href="https://community.envipath.org/" target="_blank">
<svg
role="img"
viewBox="0 0 24 24"
xmlns="http://www.w3.org/2000/svg"
class="h-6 w-6 fill-current"
>
<title>Discourse</title>
<path
d="M12.103 0C18.666 0 24 5.485 24 11.997c0 6.51-5.33 11.99-11.9 11.99L0 24V11.79C0 5.28 5.532 0 12.103 0zm.116 4.563c-2.593-.003-4.996 1.352-6.337 3.57-1.33 2.208-1.387 4.957-.148 7.22L4.4 19.61l4.794-1.074c2.745 1.225 5.965.676 8.136-1.39 2.17-2.054 2.86-5.228 1.737-7.997-1.135-2.778-3.84-4.59-6.84-4.585h-.008z"
/>
</svg>
</a>
<a href="https://www.linkedin.com/company/envipath/" target="_blank">
<img
src="{% static "/images/linkedin.png" %}"
alt="LinkedIn"
class="h-6 w-6"
/>
</a>
</div>
</nav>
</footer>
</div>

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{% load static %}
{# Modern DaisyUI Navbar #}
<div class="navbar x-50 bg-neutral-50 text-neutral-950 shadow-lg">
<div class="navbar-start">
<a href="{{ meta.server_url }}" class="btn btn-ghost text-xl normal-case">
<svg class="fill-base-content h-8" viewBox="0 0 104 26" role="img">
<use href="{% static "/images/logo-name.svg" %}#ep-logo-name" />
</svg>
</a>
</div>
{% if not public_mode %}
<div class="navbar-center hidden lg:flex">
<a
href="{{ meta.server_url }}/predict"
role="button"
class="btn btn-ghost"
id="predictLink"
>Predict</a
>
<!-- <li><a href="{{ meta.server_url }}/package" id="packageLink">Package</a></li> -->
<!--<li><a href="{{ meta.server_url }}/browse" id="browseLink">Browse</a></li>-->
<div class="dropdown dropdown-center">
<div tabindex="0" role="button" class="btn btn-ghost">Browse</div>
<ul
tabindex="-1"
class="dropdown-content menu bg-base-100 rounded-box z-1 w-52 p-2 shadow-sm"
>
<li>
<a href="{{ meta.server_url }}/package" id="packageLink">Package</a>
</li>
<li>
<a href="{{ meta.server_url }}/pathway" id="pathwayLink">Pathway</a>
</li>
<li><a href="{{ meta.server_url }}/rule" id="ruleLink">Rule</a></li>
<li>
<a href="{{ meta.server_url }}/compound" id="compoundLink"
>Compound</a
>
</li>
<li>
<a href="{{ meta.server_url }}/reaction" id="reactionLink"
>Reaction</a
>
</li>
<li>
<a href="{{ meta.server_url }}/model" id="relative-reasoningLink"
>Model</a
>
</li>
<li>
<a href="{{ meta.server_url }}/scenario" id="scenarioLink"
>Scenario</a
>
</li>
</ul>
</div>
</div>
{% endif %}
<div class="navbar-end">
{% if not public_mode %}
<a id="search-trigger" role="button" class="cursor-pointer">
<div
class="badge badge-dash bg-base-200 text-base-content/50 m-1 flex items-center space-x-1 p-2"
>
<svg
xmlns="http://www.w3.org/2000/svg"
width="16"
height="16"
viewBox="0 0 24 24"
fill="none"
stroke="currentColor"
stroke-width="2"
stroke-linecap="round"
stroke-linejoin="round"
class="lucide lucide-search-icon lucide-search"
>
<path d="m21 21-4.34-4.34" />
<circle cx="11" cy="11" r="8" />
</svg>
<span id="search-shortcut">⌘K</span>
</div>
</a>
{% endif %}
{% if meta.user.username == 'anonymous' or public_mode %}
<a href="{% url 'login' %}" id="loginButton" class="p-2">Login</a>
{% else %}
<div class="dropdown dropdown-end">
<div
tabindex="0"
role="button"
class="btn btn-ghost btn-circle m-1"
id="loggedInButton"
>
<svg
xmlns="http://www.w3.org/2000/svg"
width="24"
height="24"
viewBox="0 0 24 24"
fill="none"
stroke="currentColor"
stroke-width="2"
stroke-linecap="round"
stroke-linejoin="round"
class="lucide lucide-circle-user-icon lucide-circle-user"
>
<circle cx="12" cy="12" r="10" />
<circle cx="12" cy="10" r="3" />
<path d="M7 20.662V19a2 2 0 0 1 2-2h6a2 2 0 0 1 2 2v1.662" />
</svg>
</div>
<ul
tabindex="-1"
class="dropdown-content menu bg-base-100 rounded-box z-50 w-52 p-2 shadow-sm"
>
<li><a href="{{ meta.user.url }}" id="accountbutton">Settings</a></li>
<li>
<form
id="logoutForm"
action="{% url 'logout' %}"
method="post"
style="display: none;"
>
{% csrf_token %}
<input type="hidden" name="logout" value="true" />
</form>
<a
href="#"
id="logoutButton"
onclick="event.preventDefault(); document.getElementById('logoutForm').submit();"
>Logout</a
>
</li>
</ul>
</div>
{% endif %}
</div>
</div>
<script>
// OS-aware search shortcut display
(function () {
const isMac = /Mac/.test(navigator.platform);
const shortcutElement = document.getElementById("search-shortcut");
if (shortcutElement) {
shortcutElement.textContent = isMac ? "⌘K" : "Ctrl+K";
}
})();
</script>

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{% extends "framework_modern.html" %} {% extends "framework.html" %}
{% load static %} {% load static %}
{% block main_content %} {% block content %}
<!-- Hero Section with Logo and Search --> <!-- TODO rename ids as well as remove pathways if modal is closed!-->
<section class="hero relative mx-auto h-fit w-full max-w-5xl shadow-none"> <div class="modal fade" tabindex="-1" id="foundMatching" role="dialog" aria-labelledby="foundModal"
<div aria-hidden="true">
class="hero from-primary-800 to-primary-600 min-h-[calc(100vh*0.4)] bg-gradient-to-br" <div class="modal-dialog">
style="background-image: url('{% static "/images/hero.png" %}'); background-size: cover; background-position: center;" <div class="modal-content">
> <div class="modal-header">
<div class="hero-overlay"></div> <button type="button" class="close" data-dismiss="modal">
<!-- Predict Pathway text over the image --> <span aria-hidden="true">&times;</span>
<div class="absolute bottom-40 left-1/8 z-10 -translate-x-8"> <span class="sr-only">Close</span>
<h2 class="text-base-100 text-left text-3xl text-shadow-lg"> </button>
Predict Your Pathway <h4 class="modal-title" id="newPackMod">Found Pathway in Database</h4>
</h2> </div>
</div> <div class="modal-body">
</div> <p>We found at least one pathway in the database with the given root
</section> compound. Do you want to open any of the existing pathways or
predict a new one? To open an existing pathway, simply click
<div class="bg-base-200 mx-auto max-w-5xl shadow-md"> on the pathway, to predict a new one, click Predict. The predicted
<!-- Predict Pathway Section --> pathway might differ from the ones in the database due to the
<div settings used in the prediction.</p>
class="relative z-20 mx-auto -mt-32 mb-10 w-full flex-col lg:flex-row-reverse" <div id="foundPathways"></div>
> </div>
<div <div class="modal-footer">
class="card bg-base-100 mx-auto w-3/4 shrink-0 shadow-xl transition-all duration-300 ease-in-out" <a id="modal-predict" class="btn btn-primary" href="#">Predict</a>
> <button type="button" id="cancel-predict" class="btn btn-default" data-dismiss="modal">Cancel
<div class="card-body"> </button>
<div class="my-4 ml-8 flex h-fit flex-row items-center justify-start"> </div>
<div class="flex items-center gap-1">
<label class="swap btn btn-ghost btn-sm p-1" title="Input Mode">
<input type="checkbox" />
<span class="swap-on flex items-center gap-1">
<div
class="bg-neutral/50 text-neutral-content flex items-center justify-center rounded-full p-1"
>
<svg
aria-label="smiles mode"
xmlns="http://www.w3.org/2000/svg"
viewBox="0 0 20 20"
class="size-5"
>
<g
stroke-linejoin="round"
stroke-linecap="round"
stroke-width="2"
fill="currentColor"
stroke="none"
>
<path
fill-rule="evenodd"
d="M8 2.75A.75.75 0 0 1 8.75 2h7.5a.75.75 0 0 1 0 1.5h-3.215l-4.483 13h2.698a.75.75 0 0 1 0 1.5h-7.5a.75.75 0 0 1 0-1.5h3.215l4.483-13H8.75A.75.75 0 0 1 8 2.75Z"
clip-rule="evenodd"
/>
</g>
</svg>
</div>
<span class="ext-xs">SMILES</span>
</span>
<span class="swap-off flex items-center gap-1">
<div
class="bg-neutral/50 text-neutral-content flex items-center justify-center rounded-full p-1"
>
<svg
aria-label="draw mode"
xmlns="http://www.w3.org/2000/svg"
viewBox="0 0 20 20"
fill="currentColor"
stroke="none"
class="size-5"
>
<path
d="m2.695 14.762-1.262 3.155a.5.5 0 0 0 .65.65l3.155-1.262a4 4 0 0 0 1.343-.886L17.5 5.501a2.121 2.121 0 0 0-3-3L3.58 13.419a4 4 0 0 0-.885 1.343Z"
/>
</svg>
</div>
<span class="text-base/50 text-xs">Draw</span>
</span>
</label>
</div> </div>
</div>
<fieldset
class="fieldset overflow-hidden transition-all duration-300 ease-in-out"
>
<form
id="index-form"
action="{{ meta.current_package.url }}/pathway"
method="POST"
>
{% csrf_token %}
<div
id="text-input-container"
class="scale-100 transform opacity-100 transition-all duration-300 ease-in-out"
>
<div class="join mx-auto w-full">
<input
type="text"
id="index-form-text-input"
placeholder="canonical SMILES string"
class="input input-md join-item grow"
/>
<button class="btn btn-neutral join-item">Predict!</button>
</div>
<div class="label relative mt-1 w-full">
<div class="flex gap-2">
<a
href="#"
class="example-link hover:text-primary cursor-pointer"
data-smiles="CN1C=NC2=C1C(=O)N(C(=O)N2C)C"
title="load example"
>Caffeine</a
>
<a
href="#"
class="example-link hover:text-primary cursor-pointer"
data-smiles="CC(C)CC1=CC=C(C=C1)C(C)C(=O)O"
title="load example"
>Ibuprofen</a
>
</div>
<a
class="absolute top-0 left-[calc(100%-5.4rem)]"
href="/predict"
>Advanced</a
>
</div>
</div>
<div
id="ketcher-container"
class="hidden w-full scale-95 transform opacity-0 transition-all duration-300 ease-in-out"
>
<iframe
id="index-ketcher"
src="{% static '/js/ketcher2/ketcher.html' %}"
width="100%"
height="400"
class="rounded-lg"
></iframe>
<button
class="btn btn-lg bg-primary-950 text-primary-50 join-item mt-2 w-full"
>
Predict!
</button>
<div class="mt-1 flex w-full justify-end">
<a class="label justify-end" href="/predict">Advanced</a>
</div>
</div>
<input
type="hidden"
id="index-form-smiles"
name="smiles"
value="smiles"
/>
<input
type="hidden"
id="index-form-predict"
name="predict"
value="predict"
/>
<input type="hidden" id="current-action" value="predict" />
</form>
</fieldset>
</div> </div>
</div>
</div> </div>
<div class="row">
<!-- Community News Section --> <div class="col-xs-8">
<section class="bg-base-200 z-10 mx-8 py-16"> <div class="jumbotron">
<div class="mx-auto max-w-7xl px-4"> <h1>
<h2 class="h2 mb-8 text-left font-bold">Community Updates</h2> <img id="image-logo-long" class="img-responsive" alt="enviPath" width="1000ex"
src='{% static "/images/logo-long.svg" %}'/>
<div id="community-news-container" class="flex justify-center gap-4"> </h1>
<!-- News cards will be populated here --> <p>enviPath is a database and prediction system for the microbial
<div id="loading" class="flex w-full justify-center"> biotransformation of organic environmental contaminants. The
<span class="loading loading-spinner loading-lg"></span> database provides the possibility to store and view experimentally
</div> observed biotransformation pathways. The pathway prediction system
</div> provides different relative reasoning models to predict likely biotransformation
pathways and products. You can try it out below.
<div class="mt-6 text-right"> </p>
<a <p>
href="https://community.envipath.org/c/announcements/10" <a class="btn" style="background-color:#222222;color:#9d9d9d" role="button" target="_blank"
target="_blank" href="https://wiki.envipath.org/index.php/Main_Page">Learn more &gt;&gt;</a>
class="btn btn-ghost btn-sm" </p>
>
Read More Announcements
</a>
</div>
<!-- Discourse API integration -->
<script src="{% static 'js/discourse-api.js' %}"></script>
</div>
</section>
<!-- Mission Statement Section -->
<section class="from-base-200 to-base-100 bg-gradient-to-b py-16">
<div class="mx-auto px-8 md:px-12">
<div class="flex flex-row gap-4">
<div class="w-1/3">
<img
src="{% static "/images/ep-rule-artwork.png" %}"
alt="rule-based iterative tree greneration"
class="h-full w-full object-contain"
/>
</div>
<div class="mr-8 w-2/3 space-y-4 text-left">
<h2 class="h2 mb-8 font-bold">About enviPath</h2>
<p class="">
enviPath is a database and prediction system for the microbial
biotransformation of organic environmental contaminants. The
database provides the possibility to store and view experimentally
observed biotransformation pathways.
</p>
<p class="">
The pathway prediction system provides different relative
reasoning models to predict likely biotransformation pathways and
products. Explore our tools and contribute to advancing
environmental biotransformation research.
</p>
<div class="float-right flex flex-row gap-4">
<a href="/about" class="btn btn-ghost-neutral">Read More</a>
<a href="/about" class="btn btn-neutral">Publications</a>
</div> </div>
</div>
</div> </div>
</div> <div id="loading"></div>
</section> <div class="col-xs-4">
<d-topics-list discourse-url="https://community.envipath.org" per-page="10" category="10"
<!-- Partners Section --> template="complete"></d-topics-list>
<section class="bg-base-100 py-14 sm:py-12">
<div class="mx-auto px-6 lg:px-8">
<div class="divider">
<h2 class="text-center text-lg/8 font-semibold">Backed by Science</h2>
</div> </div>
<div </div>
class="mx-auto mt-10 grid max-w-lg grid-cols-4 items-center gap-x-8 gap-y-10 sm:max-w-xl sm:grid-cols-6 sm:gap-x-10 lg:mx-0 lg:max-w-none lg:grid-cols-3" <div class="row">
> <form id="index-form" action="{{ meta.current_package.url }}/pathway" method="POST">
<img {% csrf_token %}
src="{% static "/images/uoa-logo-small.png" %}" <div class="input-group" id="index-form-bar">
alt="The University of Auckland" <div class="input-group-btn">
class="max-h-20 w-full object-contain lg:col-span-1" <button type="button" class="btn btn-default dropdown-toggle" data-toggle="dropdown"
/> aria-expanded="false">
<img <span class="caret"></span>
src="{% static "/images/logo-eawag.svg" %}" </button>
alt="Eawag" <ul class="dropdown-menu" role="menu">
class="max-h-12 w-full object-contain lg:col-span-1" <li>
/> <iframe id="index-form-ketcher" src="{% static '/js/ketcher2/ketcher.html' %}" width="100%"
<img height="510"></iframe>
src="{% static "/images/uzh-logo.svg" %}" </li>
alt="University of Zurich" </ul>
class="2 max-h-16 w-full object-contain lg:col-span-1"
/>
</div>
</div>
</section>
</div>
<script language="javascript">
var currentPackage = "{{ meta.current_package.url }}";
// Helper function to safely get Ketcher instance from iframe
function getKetcherInstance(iframeId) {
const ketcherFrame = document.getElementById(iframeId);
if (!ketcherFrame) {
console.error("Ketcher iframe not found:", iframeId);
return null;
}
try {
if (
"contentWindow" in ketcherFrame &&
ketcherFrame.contentWindow.ketcher
) {
return ketcherFrame.contentWindow.ketcher;
}
} catch (err) {
console.error(
"Cannot access Ketcher iframe - possible CORS issue:",
err,
);
}
return null;
}
// Discourse API integration is now handled by discourse-api.js
// Function to render Discourse topics into cards
function renderDiscourseTopics(topics) {
const container = document.getElementById("community-news-container");
if (!container) return;
// Clear container
container.innerHTML = "";
// Create cards for each topic
topics.forEach((topic) => {
const card = createDiscourseCard(topic);
container.insertAdjacentHTML("beforeend", card);
});
}
// Function to create HTML card for a topic
function createDiscourseCard(topic) {
const date = new Date(topic.created_at).toLocaleDateString();
return `
<div class="card bg-white shadow-xs hover:shadow-lg transition-shadow duration-300 h-64 w-75 flex-shrink-0">
<div class="card-body flex flex-col h-full">
<h3 class="card-title leading-tight font-normal tracking-tight h-12 mb-2 line-clamp-2 text-ellipsis wrap-break-word overflow-hidden">
<a href="${topic.url}" target="_blank" class="hover:text-primary">
${topic.title}
</a>
</h3>
<div class="text-sm line-clamp-4 break-words" >
${topic.excerpt}
</div>
<div class="flex flex-row items-center justify-between">
<div class="flex items-center gap-2">
<div class="avatar tooltip tooltip-right" data-tip="${topic.author}">
<div class="w-8 rounded-full">
<img src="${topic.author_avatar}" alt="${topic.author}" />
</div>
</div>
<span class="text-xs text-gray-500">${date}</span>
</div>
<a href="${topic.url}" target="_blank" class="btn btn-ghost text-neutral-500 rounded-full p-2">
<svg xmlns="http://www.w3.org/2000/svg" class="h-5 w-5" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round">
<path d="M12 7v14"/>
<path d="M3 18a1 1 0 0 1-1-1V4a1 1 0 0 1 1-1h5a4 4 0 0 1 4 4 4 4 0 0 1 4-4h5a1 1 0 0 1 1 1v13a1 1 0 0 1-1 1h-6a3 3 0 0 0-3 3 3 3 0 0 0-3-3z"/>
</svg>
</a>
</div>
</div>
</div> </div>
`; <input type="text" class="form-control" id='index-form-text-input'
} placeholder="Enter a SMILES to predict a Pathway or type something to search">
<div class="input-group-btn">
<button type="button" class="btn btn-default dropdown-toggle" data-toggle="dropdown"
aria-haspopup="true"
aria-expanded="false" id="action-button">Predict <span class="caret"></span></button>
<ul class="dropdown-menu">
<li><a id="dropdown-predict">Predict</a></li>
<li><a id="dropdown-search">Search</a></li>
</ul>
<button class="btn" style="background-color:#222222;color:#9d9d9d" type="button" id="run-button">Go!
</button>
</div>
</div>
<input type="hidden" id="index-form-smiles" name="smiles" value="smiles">
<input type="hidden" id="index-form-predict" name="predict" value="predict">
</form>
</div>
<p></p>
<script language="javascript">
var currentPackage = "{{ meta.current_package.url }}";
// Make render function globally available function goButtonClicked() {
window.renderDiscourseTopics = renderDiscourseTopics; $(this).prop("disabled", true);
// Toggle functionality with smooth animations var action = $('#action-button').text().trim();
function toggleInputMode() {
const toggle = $('input[type="checkbox"]');
const textContainer = $("#text-input-container");
const ketcherContainer = $("#ketcher-container");
const formCard = $(".card");
const fieldset = $(".fieldset");
if (toggle.is(":checked")) { var textSmiles = $('#index-form-text-input').val().trim();
// Draw mode - show Ketcher, hide text input
textContainer.addClass("opacity-0 transform scale-95");
textContainer.removeClass("opacity-100 transform scale-100");
// Adjust fieldset padding for Ketcher mode - reduce padding and make more compact if (textSmiles === '') {
fieldset.removeClass("p-8"); $(this).prop("disabled", false);
fieldset.addClass("p-4"); return;
}
// Wait for fade out to complete, then hide and show new content
setTimeout(() => { var ketcherSmiles = getKetcher('index-form-ketcher').getSmiles().trim();
textContainer.addClass("hidden");
ketcherContainer.removeClass("hidden opacity-0 transform scale-95"); if (action !== 'Search' && ketcherSmiles !== '' && textSmiles !== ketcherSmiles) {
ketcherContainer.addClass("opacity-100 transform scale-100"); console.log("Ketcher and TextInput differ!");
}
// Force re-evaluation of iframe size
const iframe = document.getElementById("index-ketcher"); if (action === 'Search') {
if (iframe) { var par = {};
iframe.style.height = "400px"; par['search'] = textSmiles;
} par['mode'] = 'text';
}, 300); var queryString = $.param(par, true);
} else { window.location.href = "/search?" + queryString;
// SMILES mode - show text input, hide Ketcher } else {
ketcherContainer.addClass("opacity-0 transform scale-95"); $('#index-form-smiles').val(textSmiles);
ketcherContainer.removeClass("opacity-100 transform scale-100"); $('#index-form').submit();
// Restore fieldset padding for text input mode
fieldset.removeClass("p-4");
fieldset.addClass("p-8");
// Wait for fade out to complete, then hide and show new content
setTimeout(() => {
ketcherContainer.addClass("hidden");
textContainer.removeClass("hidden opacity-0 transform scale-95");
textContainer.addClass("opacity-100 transform scale-100");
}, 300);
// Transfer SMILES from Ketcher to text input if available
const ketcher = getKetcherInstance("index-ketcher");
if (ketcher && ketcher.getSmiles) {
try {
const smiles = ketcher.getSmiles();
if (smiles && smiles.trim() !== "") {
$("#index-form-text-input").val(smiles);
} }
} catch (err) {
console.error("Failed to sync Ketcher to text input:", err);
// Non-critical error, just log it
}
} }
}
}
// Ketcher integration function actionDropdownClicked() {
function indexKetcherToTextInput() { var suffix = ' <span class="caret"></span>';
$("#index-form-smiles").val(this.ketcher.getSmiles()); var dropdownVal = $(this).text();
}
$(function () { if (dropdownVal === 'Search') {
// Initialize fieldset with proper padding $("#index-form").attr("action", '/search');
$(".fieldset").addClass("p-8"); $("#index-form").attr("method", 'GET');
} else {
$("#index-form").attr("action", currentPackage + "/pathway");
}
// Toggle event listener $('#action-button').html(dropdownVal + suffix);
$('input[type="checkbox"]').on("change", toggleInputMode); }
// Ketcher iframe load handler function ketcherToTextInput() {
$("#index-ketcher").on("load", function () { $('#index-form-text-input').val(this.ketcher.getSmiles());
const checkKetcherReady = () => { }
const win = this.contentWindow;
if (win.ketcher && "editor" in win.ketcher) { $(function () {
window.indexKetcher = win.ketcher;
win.ketcher.editor.event.change.handlers.push({ $('#index-form').on("keydown", function (e) {
once: false, if (e.key === "Enter") {
priority: 0, e.preventDefault();
f: indexKetcherToTextInput, goButtonClicked();
ketcher: win.ketcher, }
}); });
} else {
setTimeout(checkKetcherReady, 100);
}
};
checkKetcherReady();
});
// Handle example link clicks // Code that should be executed once DOM is ready goes here
$(".example-link").on("click", function (e) { $('#dropdown-predict').on('click', actionDropdownClicked);
e.preventDefault(); $('#dropdown-search').on('click', actionDropdownClicked);
const smiles = $(this).data("smiles");
const title = $(this).attr("title");
// Check if we're in Ketcher mode or text input mode $('#run-button').on('click', goButtonClicked);
if ($('input[type="checkbox"]').is(":checked")) {
// In Ketcher mode - set the SMILES in Ketcher
if (window.indexKetcher && window.indexKetcher.setMolecule) {
window.indexKetcher.setMolecule(smiles);
}
} else {
// In text input mode - set the SMILES in the text input
$("#index-form-text-input").val(smiles);
}
// Show a brief feedback // Update Ketcher Width
const originalText = $(this).text(); var fullWidth = $('#index-form-bar').width();
$(this).text(`loaded!`); $('#index-form-ketcher').width(fullWidth);
setTimeout(() => {
$(this).text(originalText);
}, 1000);
});
// Handle form submission on Enter // add a listener that gets triggered whenever the structure in ketcher has changed
$("#index-form").on("submit", function (e) { $('#index-form-ketcher').on('load', function () {
e.preventDefault(); const checkKetcherReady = () => {
win = this.contentWindow
if (win.ketcher && 'editor' in win.ketcher) {
win.ketcher.editor.event.change.handlers.push({
once: false,
priority: 0,
f: ketcherToTextInput,
ketcher: win.ketcher
});
} else {
setTimeout(checkKetcherReady, 100);
}
};
var textSmiles = ""; checkKetcherReady();
});
// Check if we're in Ketcher mode and extract SMILES });
if ($('input[type="checkbox"]').is(":checked")) { </script>
// Use the robust getter function {% endblock content %}
const ketcher = getKetcherInstance("index-ketcher");
if (ketcher && ketcher.getSmiles) {
try {
textSmiles = ketcher.getSmiles().trim();
} catch (err) {
console.error("Failed to get SMILES from Ketcher:", err);
alert(
"Unable to extract structure from the drawing editor. Please try again or switch to SMILES input mode.",
);
return;
}
} else {
console.warn("Ketcher not available, possibly still loading");
alert(
"The drawing editor is still loading. Please wait a moment and try again.",
);
return;
}
} else {
textSmiles = $("#index-form-text-input").val().trim();
}
if (textSmiles === "") {
alert("Please enter a SMILES string or draw a structure.");
return;
}
$("#index-form-smiles").val(textSmiles);
$("#index-form").attr("action", currentPackage + "/pathway");
$("#index-form").attr("method", "POST");
this.submit();
});
// Discourse topics are now loaded automatically by discourse-api.js
});
</script>
{% endblock main_content %}

View File

@ -1,71 +1,44 @@
{% extends "framework.html" %} {% extends "framework.html" %}
{% block content %} {% block content %}
<div class="panel-group" id="migration-detail"> <div class="panel-group" id="migration-detail">
<div class="panel panel-default"> <div class="panel panel-default">
<div <div class="panel-heading" id="headingPanel" style="font-size:2rem;height: 46px">
class="panel-heading" Migration Status BT Rules
id="headingPanel" </div>
style="font-size:2rem;height: 46px" <div class="panel-body">
> <p>Rules with Error: {{ error }}/{{ total }} </p>
Migration Status BT Rules <p>Rules without Error: {{ success }}/{{ total }}</p>
</div> </div>
<div class="panel-body">
<p>Rules with Error: {{ error }}/{{ total }}</p>
<p>Rules without Error: {{ success }}/{{ total }}</p>
</div>
{% for obj in results %} {% for obj in results %}
<div <div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
class="panel panel-default panel-heading list-group-item" {% if obj.status %}
style="background-color:silver" <span class="glyphicon glyphicon-ok" aria-hidden="true"
> style="float:right" data-toggle="tooltip"
{% if obj.status %} data-placement="top" title="" data-original-title="Reviewed">
<span
class="glyphicon glyphicon-ok"
aria-hidden="true"
style="float:right"
data-toggle="tooltip"
data-placement="top"
title=""
data-original-title="Reviewed"
>
</span> </span>
{% else %} {% else %}
<span <span class="glyphicon glyphicon-remove" aria-hidden="true"
class="glyphicon glyphicon-remove" style="float:right" data-toggle="tooltip"
aria-hidden="true" data-placement="top" title="" data-original-title="Reviewed">
style="float:right"
data-toggle="tooltip"
data-placement="top"
title=""
data-original-title="Reviewed"
>
</span> </span>
{% endif %} {% endif %}
<h4 class="panel-title"> <h4 class="panel-title">
<a <a id="{{ obj.id }}-link" data-toggle="collapse" data-parent="#migration-detail"
id="{{ obj.id }}-link" href="#{{ obj.id }}">{{ obj.name }}</a>
data-toggle="collapse" </h4>
data-parent="#migration-detail"
href="#{{ obj.id }}"
>{{ obj.name|safe }}</a
>
</h4>
</div> </div>
<div <div id="{{ obj.id }}" class="panel-collapse collapse {% if not obj.status %}in{% endif %}">
id="{{ obj.id }}" <div class="panel-body list-group-item">
class="panel-collapse {% if not obj.status %}in{% endif %} collapse" <a class="list-group-item" href="{{ obj.detail_url }}">{{ obj.name }} Migration Detail Page</a>
> </div>
<div class="panel-body list-group-item">
<a class="list-group-item" href="{{ obj.detail_url }}"
>{{ obj.name|safe }} Migration Detail Page</a
>
</div>
</div> </div>
{% endfor %} {% endfor %}
</div> </div>
</div> </div>
<script></script> <script>
</script>
{% endblock content %} {% endblock content %}

View File

@ -1,77 +1,45 @@
{% extends "framework.html" %} {% extends "framework.html" %}
{% block content %} {% block content %}
<div class="panel-group" id="migration-detail"> <div class="panel-group" id="migration-detail">
<div class="panel panel-default"> <div class="panel panel-default">
<div <div class="panel-heading" id="headingPanel" style="font-size:2rem;height: 46px">
class="panel-heading" Migration Status for {{ bt_rule_name }}
id="headingPanel" </div>
style="font-size:2rem;height: 46px" <div class="panel-body">
> <p>A package contains pathways, rules, etc. and can reflect specific experimental
Migration Status for {{ bt_rule_name }} conditions. <a target="_blank" href="https://wiki.envipath.org/index.php/packages" role="button">Learn
</div> more &gt;&gt;</a></p>
<div class="panel-body"> </div>
<p>
A package contains pathways, rules, etc. and can reflect specific
experimental conditions.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/packages"
role="button"
>Learn more &gt;&gt;</a
>
</p>
</div>
{% for obj in results %} {% for obj in results %}
<div <div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
class="panel panel-default panel-heading list-group-item" {% if obj.status %}
style="background-color:silver" <span class="glyphicon glyphicon-ok" aria-hidden="true"
> style="float:right" data-toggle="tooltip"
{% if obj.status %} data-placement="top" title="" data-original-title="Reviewed">
<span </span>
class="glyphicon glyphicon-ok" {% else %}
aria-hidden="true" <span class="glyphicon glyphicon-remove" aria-hidden="true"
style="float:right" style="float:right" data-toggle="tooltip"
data-toggle="tooltip" data-placement="top" title="" data-original-title="Reviewed">
data-placement="top" </span>
title="" {% endif %}
data-original-title="Reviewed" <h4 class="panel-title">
> <a id="{{ obj.id }}-link" data-toggle="collapse" data-parent="#migration-detail"
</span> href="#{{ obj.id }}">{{ obj.name }}</a>
{% else %} </h4>
<span </div>
class="glyphicon glyphicon-remove" <div id="{{ obj.id }}" class="panel-collapse collapse {% if not obj.status %}in{% endif %}">
aria-hidden="true" <div class="panel-body list-group-item">
style="float:right" <pre>{{ obj.detail }}</pre>
data-toggle="tooltip" </div>
data-placement="top" </div>
title="" {% endfor %}
data-original-title="Reviewed"
>
</span>
{% endif %}
<h4 class="panel-title">
<a
id="{{ obj.id }}-link"
data-toggle="collapse"
data-parent="#migration-detail"
href="#{{ obj.id }}"
>{{ obj.name|safe }}</a
>
</h4>
</div> </div>
<div
id="{{ obj.id }}"
class="panel-collapse {% if not obj.status %}in{% endif %} collapse"
>
<div class="panel-body list-group-item">
<pre>{{ obj.detail }}</pre>
</div>
</div>
{% endfor %}
</div> </div>
</div>
<script></script> <script>
</script>
{% endblock content %} {% endblock content %}

View File

@ -1,48 +1,31 @@
<div <div class="modal fade bs-modal-lg" id="citemodal" tabindex="-1" role="dialog" aria-labelledby="myLargeModalLabel"
class="modal fade bs-modal-lg" aria-hidden="true">
id="citemodal" <div class="modal-dialog modal-lg">
tabindex="-1" <div class="modal-content">
role="dialog" <div class="modal-header">
aria-labelledby="myLargeModalLabel" <h3>How to cite enviPath</h3>
aria-hidden="true" </div>
> <div class="modal-body">
<div class="modal-dialog modal-lg"> <ol class="list-group list-group-numbered">
<div class="modal-content"> <li class="list-group-item">
<div class="modal-header"> Hafner, J., Lorsbach, T., Schmidt, S. <em>et al.</em>
<h3>How to cite enviPath</h3> <cite>Advancements in biotransformation pathway prediction: enhancements, datasets, and novel
</div> functionalities in enviPath.</cite>
<div class="modal-body"> <a href="https://doi.org/10.1186/s13321-024-00881-6" target="_blank">J Cheminform 16, 93
<ol class="list-group list-group-numbered"> (2024)</a>
<li class="list-group-item"> </li>
Hafner, J., Lorsbach, T., Schmidt, S. <em>et al.</em> <li class="list-group-item">
<cite Wicker, J., Lorsbach, T., Gütlein, M., Schmid, E., Latino, D., Kramer, S., Fenner, K.
>Advancements in biotransformation pathway prediction: <cite>enviPath - The environmental contaminant biotransformation pathway resource</cite>
enhancements, datasets, and novel functionalities in <a href="https://doi.org/10.1093/nar/gkv1229" target="_blank">
enviPath.</cite Nucleic Acids Research, Volume 44, Issue D1, 4 January 2016, Pages D502-D508
> </a>
<a href="https://doi.org/10.1186/s13321-024-00881-6" target="_blank" </li>
>J Cheminform 16, 93 (2024)</a </ol>
> </div>
</li> <div class="modal-footer">
<li class="list-group-item"> <button type="button" class="btn btn-default" data-dismiss="modal">Close</button>
Wicker, J., Lorsbach, T., Gütlein, M., Schmid, E., Latino, D., </div>
Kramer, S., Fenner, K. </div>
<cite
>enviPath - The environmental contaminant biotransformation
pathway resource</cite
>
<a href="https://doi.org/10.1093/nar/gkv1229" target="_blank">
Nucleic Acids Research, Volume 44, Issue D1, 4 January 2016, Pages
D502-D508
</a>
</li>
</ol>
</div>
<div class="modal-footer">
<button type="button" class="btn btn-default" data-dismiss="modal">
Close
</button>
</div>
</div> </div>
</div>
</div> </div>

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<div <div class="modal fade" tabindex="-1" id="import_legacy_package_modal" role="dialog"
class="modal fade" aria-labelledby="import_legacy_package_modal" aria-hidden="true">
tabindex="-1" <div class="modal-dialog">
id="import_legacy_package_modal" <div class="modal-content">
role="dialog" <div class="modal-header">
aria-labelledby="import_legacy_package_modal" <button type="button" class="close" data-dismiss="modal">
aria-hidden="true" <span aria-hidden="true">&times;</span>
> <span class="sr-only">Close</span>
<div class="modal-dialog"> </button>
<div class="modal-content"> <h4 class="modal-title">Import Package from legacy System</h4>
<div class="modal-header"> </div>
<button type="button" class="close" data-dismiss="modal"> <div class="modal-body">
<span aria-hidden="true">&times;</span> <p>Create a Package based on the JSON Export of the legacy system.</p>
<span class="sr-only">Close</span> <form id="import-legacy-package-modal-form" accept-charset="UTF-8" data-remote="true" method="post"
</button> enctype="multipart/form-data">
<h4 class="modal-title">Import Package from legacy System</h4> {% csrf_token %}
</div> <p>
<div class="modal-body"> <label class="btn btn-primary" for="legacyJsonFile">
<p>Create a Package based on the JSON Export of the legacy system.</p> <input id="legacyJsonFile" name="file" type="file" style="display:none;"
<form onchange="$('#upload-legacy-file-info').html(this.files[0].name)">
id="import-legacy-package-modal-form" Choose JSON File
accept-charset="UTF-8" </label>
data-remote="true" <span class="label label-info" id="upload-legacy-file-info"></span>
method="post" <input type="hidden" value="import-legacy-package-json" name="hidden" readonly="">
enctype="multipart/form-data" </p>
> </form>
{% csrf_token %} </div>
<p> <div class="modal-footer">
<label class="btn btn-primary" for="legacyJsonFile"> <a id="import-legacy-package-modal-form-submit" class="btn btn-primary" href="#">Submit</a>
<input <button type="button" class="btn btn-default" data-dismiss="modal">Cancel</button>
id="legacyJsonFile" </div>
name="file" </div>
type="file"
style="display:none;"
onchange="$('#upload-legacy-file-info').html(this.files[0].name)"
/>
Choose JSON File
</label>
<span class="label label-info" id="upload-legacy-file-info"></span>
<input
type="hidden"
value="import-legacy-package-json"
name="hidden"
readonly=""
/>
</p>
</form>
</div>
<div class="modal-footer">
<a
id="import-legacy-package-modal-form-submit"
class="btn btn-primary"
href="#"
>Submit</a
>
<button type="button" class="btn btn-default" data-dismiss="modal">
Cancel
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function () {
$("#import-legacy-package-modal-form-submit").on("click", function (e) { $('#import-legacy-package-modal-form-submit').on('click', function (e) {
e.preventDefault(); e.preventDefault();
$("#import-legacy-package-modal-form").submit(); $('#import-legacy-package-modal-form').submit();
});
}); });
});
</script> </script>

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@ -1,70 +1,42 @@
<div <div class="modal fade" tabindex="-1" id="import_package_modal" role="dialog"
class="modal fade" aria-labelledby="import_package_modal" aria-hidden="true">
tabindex="-1" <div class="modal-dialog">
id="import_package_modal" <div class="modal-content">
role="dialog" <div class="modal-header">
aria-labelledby="import_package_modal" <button type="button" class="close" data-dismiss="modal">
aria-hidden="true" <span aria-hidden="true">&times;</span>
> <span class="sr-only">Close</span>
<div class="modal-dialog"> </button>
<div class="modal-content"> <h4 class="modal-title">Import Package</h4>
<div class="modal-header"> </div>
<button type="button" class="close" data-dismiss="modal"> <div class="modal-body">
<span aria-hidden="true">&times;</span> <p>Create a Package based on a JSON Export.</p>
<span class="sr-only">Close</span> <form id="import-package-modal-form" accept-charset="UTF-8" data-remote="true" method="post"
</button> enctype="multipart/form-data">
<h4 class="modal-title">Import Package</h4> {% csrf_token %}
</div> <p>
<div class="modal-body"> <label class="btn btn-primary" for="jsonFile">
<p>Create a Package based on a JSON Export.</p> <input id="jsonFile" name="file" type="file" style="display:none;"
<form onchange="$('#upload-file-info').html(this.files[0].name)">
id="import-package-modal-form" Choose JSON File
accept-charset="UTF-8" </label>
data-remote="true" <span class="label label-info" id="upload-file-info"></span>
method="post" <input type="hidden" value="import-package-json" name="hidden" readonly="">
enctype="multipart/form-data" </p>
> </form>
{% csrf_token %} </div>
<p> <div class="modal-footer">
<label class="btn btn-primary" for="jsonFile"> <a id="import-package-modal-form-submit" class="btn btn-primary" href="#">Submit</a>
<input <button type="button" class="btn btn-default" data-dismiss="modal">Cancel</button>
id="jsonFile" </div>
name="file" </div>
type="file"
style="display:none;"
onchange="$('#upload-file-info').html(this.files[0].name)"
/>
Choose JSON File
</label>
<span class="label label-info" id="upload-file-info"></span>
<input
type="hidden"
value="import-package-json"
name="hidden"
readonly=""
/>
</p>
</form>
</div>
<div class="modal-footer">
<a
id="import-package-modal-form-submit"
class="btn btn-primary"
href="#"
>Submit</a
>
<button type="button" class="btn btn-default" data-dismiss="modal">
Cancel
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function () {
$("#import-package-modal-form-submit").on("click", function (e) { $('#import-package-modal-form-submit').on('click', function (e) {
e.preventDefault(); e.preventDefault();
$("#import-package-modal-form").submit(); $('#import-package-modal-form').submit();
});
}); });
});
</script> </script>

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@ -1,119 +1,78 @@
{% load static %} {% load static %}
<div <div class="modal fade bs-modal-lg" id="new_compound_modal" tabindex="-1" aria-labelledby="new_compound_modal" aria-modal="true"
class="modal fade bs-modal-lg" role="dialog">
id="new_compound_modal" <div class="modal-dialog modal-lg">
tabindex="-1" <div class="modal-content">
aria-labelledby="new_compound_modal" <div class="modal-header">
aria-modal="true" <button type="button" class="close" data-dismiss="modal" aria-label="Close">
role="dialog" <span aria-hidden="true">×</span>
> </button>
<div class="modal-dialog modal-lg"> <h4 class="modal-title">Create a new Compound</h4>
<div class="modal-content"> </div>
<div class="modal-header"> <div class="modal-body">
<button <form id="new_compound_modal_form" accept-charset="UTF-8" action="{% url 'package compound list' meta.current_package.uuid %}" data-remote="true" method="post">
type="button" {% csrf_token %}
class="close" <label for="compound-name">Name</label>
data-dismiss="modal" <input id="compound-name" class="form-control" name="compound-name" placeholder="Name"/>
aria-label="Close" <label for="compound-description">Description</label>
> <input id="compound-description" class="form-control" name="compound-description" placeholder="Description"/>
<span aria-hidden="true">×</span> <label for="compound-smiles">SMILES</label>
</button> <input type="text" class="form-control" name="compound-smiles" placeholder="SMILES" id="compound-smiles">
<h4 class="modal-title">Create a new Compound</h4> <p></p>
</div> <div>
<div class="modal-body"> <iframe id="new_compound_ketcher" src="{% static '/js/ketcher2/ketcher.html' %}" width="100%"
<form height="510"></iframe>
id="new_compound_modal_form" </div>
accept-charset="UTF-8" <p></p>
action="{% url 'package compound list' meta.current_package.uuid %}" </form>
data-remote="true" </div>
method="post" <div class="modal-footer">
> <button type="button" class="btn btn-secondary pull-left" data-dismiss="modal">Close
{% csrf_token %} </button>
<label for="compound-name">Name</label> <button type="button" class="btn btn-primary" id="new_compound_modal_form_submit">Submit</button>
<input </div>
id="compound-name" </div>
class="form-control"
name="compound-name"
placeholder="Name"
/>
<label for="compound-description">Description</label>
<input
id="compound-description"
class="form-control"
name="compound-description"
placeholder="Description"
/>
<label for="compound-smiles">SMILES</label>
<input
type="text"
class="form-control"
name="compound-smiles"
placeholder="SMILES"
id="compound-smiles"
/>
<p></p>
<div>
<iframe
id="new_compound_ketcher"
src="{% static '/js/ketcher2/ketcher.html' %}"
width="100%"
height="510"
></iframe>
</div>
<p></p>
</form>
</div>
<div class="modal-footer">
<button
type="button"
class="btn btn-secondary pull-left"
data-dismiss="modal"
>
Close
</button>
<button
type="button"
class="btn btn-primary"
id="new_compound_modal_form_submit"
>
Submit
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
function newCompoundModalketcherToNewCompoundModalTextInput() {
$("#compound-smiles").val(this.ketcher.getSmiles());
}
$(function () { function newCompoundModalketcherToNewCompoundModalTextInput() {
$("#new_compound_ketcher").on("load", function () { $('#compound-smiles').val(this.ketcher.getSmiles());
const checkKetcherReady = () => { }
win = this.contentWindow;
if (win.ketcher && "editor" in win.ketcher) {
win.ketcher.editor.event.change.handlers.push({
once: false,
priority: 0,
f: newCompoundModalketcherToNewCompoundModalTextInput,
ketcher: win.ketcher,
});
} else {
setTimeout(checkKetcherReady, 100);
}
};
checkKetcherReady(); $(function() {
$('#new_compound_ketcher').on('load', function() {
const checkKetcherReady = () => {
win = this.contentWindow
if (win.ketcher && 'editor' in win.ketcher) {
win.ketcher.editor.event.change.handlers.push({
once: false,
priority: 0,
f: newCompoundModalketcherToNewCompoundModalTextInput,
ketcher: win.ketcher
});
} else {
setTimeout(checkKetcherReady, 100);
}
};
checkKetcherReady();
})
$(function() {
$('#new_compound_modal_form_submit').on('click', function(e) {
e.preventDefault();
$(this).prop("disabled",true);
// submit form
$('#new_compound_modal_form').submit();
});
}); });
$(function () { });
$("#new_compound_modal_form_submit").on("click", function (e) {
e.preventDefault();
$(this).prop("disabled", true);
// submit form
$("#new_compound_modal_form").submit();
});
});
});
</script> </script>

View File

@ -1,70 +1,45 @@
<div <div class="modal fade" tabindex="-1" id="new_group_modal" role="dialog" aria-labelledby="new_group_modal"
class="modal fade" aria-hidden="true">
tabindex="-1" <div class="modal-dialog">
id="new_group_modal" <div class="modal-content">
role="dialog" <div class="modal-header">
aria-labelledby="new_group_modal" <button type="button" class="close" data-dismiss="modal">
aria-hidden="true" <span aria-hidden="true">&times;</span>
> <span class="sr-only">Close</span>
<div class="modal-dialog"> </button>
<div class="modal-content"> <h4 class="modal-title">New Group</h4>
<div class="modal-header"> </div>
<button type="button" class="close" data-dismiss="modal"> <div class="modal-body">
<span aria-hidden="true">&times;</span> <p>Create new Group. You can assign users to the group once
<span class="sr-only">Close</span> it is created. Description can be changed after creation.</p>
</button> <form id="new_group_modal_form" accept-charset="UTF-8" action="{{ SERVER_BASE }}/group"
<h4 class="modal-title">New Group</h4> data-remote="true"
</div> method="post">
<div class="modal-body"> {% csrf_token %}
<p> <p>
Create new Group. You can assign users to the group once it is <label for="name">Name</label>
created. Description can be changed after creation. <input id="name" type="text" name="group-name" class="form-control" placeholder="Name"/>
</p> </p>
<form <p>
id="new_group_modal_form" <label for="description">Description</label>
accept-charset="UTF-8" <input id="description" type="text" class="form-control" placeholder="Description..."
action="{{ SERVER_BASE }}/group" name="group-description"/>
data-remote="true" </p>
method="post" </form>
> </div>
{% csrf_token %} <div class="modal-footer">
<p> <a id="new_group_modal_form_submit" class="btn btn-primary" href="#">Submit</a>
<label for="name">Name</label> <button type="button" class="btn btn-default" data-dismiss="modal">
<input Cancel
id="name" </button>
type="text" </div>
name="group-name" </div>
class="form-control"
placeholder="Name"
/>
</p>
<p>
<label for="description">Description</label>
<input
id="description"
type="text"
class="form-control"
placeholder="Description..."
name="group-description"
/>
</p>
</form>
</div>
<div class="modal-footer">
<a id="new_group_modal_form_submit" class="btn btn-primary" href="#"
>Submit</a
>
<button type="button" class="btn btn-default" data-dismiss="modal">
Cancel
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function() {
$("#new_group_modal_form_submit").on("click", function () { $('#new_group_modal_form_submit').on('click', function() {
$("#new_group_modal_form").submit(); $('#new_group_modal_form').submit();
}); });
}); });
</script> </script>

View File

@ -1,270 +1,187 @@
<div <div class="modal fade" tabindex="-1" id="new_model_modal" role="dialog" aria-labelledby="new_model_modal"
class="modal fade" aria-hidden="true">
tabindex="-1" <div class="modal-dialog modal-lg">
id="new_model_modal" <div class="modal-content">
role="dialog" <div class="modal-header">
aria-labelledby="new_model_modal" <button type="button" class="close" data-dismiss="modal">
aria-hidden="true" <span aria-hidden="true">&times;</span>
> <span class="sr-only">Close</span>
<div class="modal-dialog modal-lg"> </button>
<div class="modal-content"> <h4 class="modal-title">New Model</h4>
<div class="modal-header"> </div>
<button type="button" class="close" data-dismiss="modal"> <div class="modal-body">
<span aria-hidden="true">&times;</span> <form id="new_model_form" accept-charset="UTF-8" action="{{ meta.current_package.url }}/model"
<span class="sr-only">Close</span> data-remote="true" method="post">
</button> {% csrf_token %}
<h4 class="modal-title">New Model</h4> <div class="jumbotron">Create a new Model to
</div> limit the number of degradation products in the
<div class="modal-body"> prediction. You just need to set a name and the packages
<form you want the object to be based on. There are multiple types of models available.
id="new_model_form" For additional information have a look at our
accept-charset="UTF-8" <a target="_blank" href="https://wiki.envipath.org/index.php/relative-reasoning" role="button">wiki
action="{{ meta.current_package.url }}/model" &gt;&gt;</a>
data-remote="true" </div>
method="post" <!-- Name -->
> <label for="model-name">Name</label>
{% csrf_token %} <input id="model-name" name="model-name" class="form-control" placeholder="Name"/>
<div class="jumbotron">
Create a new Model to limit the number of degradation products in
the prediction. You just need to set a name and the packages you
want the object to be based on. There are multiple types of models
available. For additional information have a look at our
<a
target="_blank"
href="https://wiki.envipath.org/index.php/relative-reasoning"
role="button"
>wiki &gt;&gt;</a
>
</div>
<!-- Name -->
<label for="model-name">Name</label>
<input
id="model-name"
name="model-name"
class="form-control"
placeholder="Name"
/>
<!-- Description --> <!-- Description -->
<label for="model-description">Description</label> <label for="model-description">Description</label>
<input <input id="model-description" name="model-description" class="form-control"
id="model-description" placeholder="Description"/>
name="model-description"
class="form-control"
placeholder="Description"
/>
<!-- Model Type --> <!-- Model Type -->
<label for="model-type">Model Type</label> <label for="model-type">Model Type</label>
<select <select id="model-type" name="model-type" class="form-control" data-width='100%'>
id="model-type" <option disabled selected>Select Model Type</option>
name="model-type" {% for k, v in model_types.items %}
class="form-control" <option value="{{ v }}">{{ k }}</option>
data-width="100%" {% endfor %}
> </select>
<option disabled selected>Select Model Type</option>
{% for k, v in model_types.items %}
<option value="{{ v }}">{{ k }}</option>
{% endfor %}
</select>
<!-- Rule Packages --> <!-- Rule Packages -->
<div id="rule-packages" class="ep-model-param mlrr rbrr"> <div id="rule-packages" class="ep-model-param mlrr rbrr">
<label for="model-rule-packages">Rule Packages</label> <label for="model-rule-packages">Rule Packages</label>
<select <select id="model-rule-packages" name="model-rule-packages" data-actions-box='true'
id="model-rule-packages" class="form-control" multiple data-width='100%'>
name="model-rule-packages" <option disabled>Reviewed Packages</option>
data-actions-box="true" {% for obj in meta.readable_packages %}
class="form-control" {% if obj.reviewed %}
multiple <option value="{{ obj.url }}">{{ obj.name }}</option>
data-width="100%" {% endif %}
> {% endfor %}
<option disabled>Reviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option>
{% endif %}
{% endfor %}
<option disabled>Unreviewed Packages</option> <option disabled>Unreviewed Packages</option>
{% for obj in meta.readable_packages %} {% for obj in meta.readable_packages %}
{% if not obj.reviewed %} {% if not obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option> <option value="{{ obj.url }}">{{ obj.name }}</option>
{% endif %} {% endif %}
{% endfor %} {% endfor %}
</select> </select>
</div> </div>
<!-- Data Packages --> <!-- Data Packages -->
<div id="data-packages" class="ep-model-param mlrr rbrr enviformer"> <div id="data-packages" class="ep-model-param mlrr rbrr enviformer">
<label for="model-data-packages">Data Packages</label> <label for="model-data-packages">Data Packages</label>
<select <select id="model-data-packages" name="model-data-packages" data-actions-box='true'
id="model-data-packages" class="form-control" multiple data-width='100%'>
name="model-data-packages" <option disabled>Reviewed Packages</option>
data-actions-box="true" {% for obj in meta.readable_packages %}
class="form-control" {% if obj.reviewed %}
multiple <option value="{{ obj.url }}">{{ obj.name }}</option>
data-width="100%" {% endif %}
> {% endfor %}
<option disabled>Reviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option>
{% endif %}
{% endfor %}
<option disabled>Unreviewed Packages</option> <option disabled>Unreviewed Packages</option>
{% for obj in meta.readable_packages %} {% for obj in meta.readable_packages %}
{% if not obj.reviewed %} {% if not obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option> <option value="{{ obj.url }}">{{ obj.name }}</option>
{% endif %} {% endif %}
{% endfor %} {% endfor %}
</select> </select>
</div> </div>
<!-- Fingerprinter --> <!-- Fingerprinter -->
<div id="fingerprinter" class="ep-model-param mlrr"> <div id="fingerprinter" class="ep-model-param mlrr">
<label for="model-fingerprinter">Fingerprinter</label> <label for="model-fingerprinter">Fingerprinter</label>
<select <select id="model-fingerprinter" name="model-fingerprinter" data-actions-box='true'
id="model-fingerprinter" class="form-control" multiple data-width='100%'>
name="model-fingerprinter" <option value="MACCS" selected>MACCS Fingerprinter</option>
data-actions-box="true" {% if meta.enabled_features.PLUGINS and additional_descriptors %}
class="form-control" <option disabled selected>Select Additional Fingerprinter / Descriptor</option>
multiple {% for k, v in additional_descriptors.items %}
data-width="100%" <option value="{{ v }}">{{ k }}</option>
> {% endfor %}
<option value="MACCS" selected>MACCS Fingerprinter</option> {% endif %}
{% if meta.enabled_features.PLUGINS and additional_descriptors %} </select>
<option disabled selected> </div>
Select Additional Fingerprinter / Descriptor
</option>
{% for k, v in additional_descriptors.items %}
<option value="{{ v }}">{{ k }}</option>
{% endfor %}
{% endif %}
</select>
</div>
<!-- Threshold --> <!-- Threshold -->
<div id="threshold" class="ep-model-param mlrr enviformer"> <div id="threshold" class="ep-model-param mlrr enviformer">
<label for="model-threshold">Threshold</label> <label for="model-threshold">Threshold</label>
<input <input type="number" min="0" max="1" step="0.05" value="0.5" id="model-threshold"
type="number" name="model-threshold" class="form-control">
min="0" </div>
max="1"
step="0.05"
value="0.5"
id="model-threshold"
name="model-threshold"
class="form-control"
/>
</div>
<div id="appdomain" class="ep-model-param mlrr"> <div id="appdomain" class="ep-model-param mlrr">
{% if meta.enabled_features.APPLICABILITY_DOMAIN %} {% if meta.enabled_features.APPLICABILITY_DOMAIN %}
<!-- Build AD? --> <!-- Build AD? -->
<div class="checkbox"> <div class="checkbox">
<label> <label>
<input <input type="checkbox" id="build-app-domain" name="build-app-domain">Also build an
type="checkbox" Applicability Domain?
id="build-app-domain" </label>
name="build-app-domain" </div>
/>Also build an Applicability Domain? <div id="ad-params" style="display:none">
</label> <!-- Num Neighbors -->
</div> <label for="num-neighbors">Number of Neighbors</label>
<div id="ad-params" style="display:none"> <input id="num-neighbors" name="num-neighbors" type="number" class="form-control"
<!-- Num Neighbors --> value="5"
<label for="num-neighbors">Number of Neighbors</label> step="1" min="0" max="10">
<input <!-- Local Compatibility -->
id="num-neighbors" <label for="local-compatibility-threshold">Local Compatibility Threshold</label>
name="num-neighbors" <input id="local-compatibility-threshold" name="local-compatibility-threshold"
type="number" type="number"
class="form-control" class="form-control" value="0.5" step="0.01" min="0" max="1">
value="5" <!-- Reliability -->
step="1" <label for="reliability-threshold">Reliability Threshold</label>
min="0" <input id="reliability-threshold" name="reliability-threshold" type="number"
max="10" class="form-control" value="0.5" step="0.01" min="0" max="1">
/> </div>
<!-- Local Compatibility --> {% endif %}
<label for="local-compatibility-threshold" </div>
>Local Compatibility Threshold</label </form>
> </div>
<input <div class="modal-footer">
id="local-compatibility-threshold" <a id="new_model_modal_form_submit" class="btn btn-primary" href="#">Submit</a>
name="local-compatibility-threshold" <button type="button" class="btn btn-default" data-dismiss="modal">Cancel</button>
type="number" </div>
class="form-control" </div>
value="0.5"
step="0.01"
min="0"
max="1"
/>
<!-- Reliability -->
<label for="reliability-threshold">Reliability Threshold</label>
<input
id="reliability-threshold"
name="reliability-threshold"
type="number"
class="form-control"
value="0.5"
step="0.01"
min="0"
max="1"
/>
</div>
{% endif %}
</div>
</form>
</div>
<div class="modal-footer">
<a id="new_model_modal_form_submit" class="btn btn-primary" href="#"
>Submit</a
>
<button type="button" class="btn btn-default" data-dismiss="modal">
Cancel
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function () {
// Built in Model Types // Built in Model Types
var nativeModelTypes = ["mlrr", "rbrr", "enviformer"]; var nativeModelTypes = [
"mlrr",
"rbrr",
"enviformer",
]
// Initially hide all "specific" forms
$(".ep-model-param").each(function () {
$(this).hide();
});
$('#model-type').selectpicker();
$("#model-fingerprinter").selectpicker();
$("#model-rule-packages").selectpicker();
$("#model-data-packages").selectpicker();
$("#build-app-domain").change(function () {
if ($(this).is(":checked")) {
$('#ad-params').show();
} else {
$('#ad-params').hide();
}
});
// On change hide all and show only selected
$("#model-type").change(function () {
$('.ep-model-param').hide();
var modelType = $('#model-type').val();
if (nativeModelTypes.indexOf(modelType) !== -1) {
$('.' + modelType).show();
} else {
// do nothing
}
});
$('#new_model_modal_form_submit').on('click', function (e) {
e.preventDefault();
$('#new_model_form').submit();
});
// Initially hide all "specific" forms
$(".ep-model-param").each(function () {
$(this).hide();
}); });
$("#model-type").selectpicker();
$("#model-fingerprinter").selectpicker();
$("#model-rule-packages").selectpicker();
$("#model-data-packages").selectpicker();
$("#build-app-domain").change(function () {
if ($(this).is(":checked")) {
$("#ad-params").show();
} else {
$("#ad-params").hide();
}
});
// On change hide all and show only selected
$("#model-type").change(function () {
$(".ep-model-param").hide();
var modelType = $("#model-type").val();
if (nativeModelTypes.indexOf(modelType) !== -1) {
$("." + modelType).show();
} else {
// do nothing
}
});
$("#new_model_modal_form_submit").on("click", function (e) {
e.preventDefault();
$("#new_model_form").submit();
});
});
</script> </script>

View File

@ -1,68 +1,62 @@
<div <div class="modal fade"
class="modal fade" tabindex="-1"
tabindex="-1" id="new_package_modal"
id="new_package_modal" role="dialog"
role="dialog" aria-labelledby="new_package_modal"
aria-labelledby="new_package_modal" aria-hidden="true">
aria-hidden="true" <div class="modal-dialog">
> <div class="modal-content">
<div class="modal-dialog"> <div class="modal-header">
<div class="modal-content"> <button type="button"
<div class="modal-header"> class="close"
<button type="button" class="close" data-dismiss="modal"> data-dismiss="modal">
<span aria-hidden="true">&times;</span> <span aria-hidden="true">&times;</span>
<span class="sr-only">Close</span> <span class="sr-only">Close</span>
</button> </button>
<h4 class="modal-title">New Package</h4> <h4 class="modal-title">New Package</h4>
</div> </div>
<div class="modal-body"> <div class="modal-body">
<p>Create new package. Description can be changed later.</p> <p>Create new package. Description can be changed later.</p>
<form <form id="new_package_modal_form"
id="new_package_modal_form" accept-charset="UTF-8"
accept-charset="UTF-8" action=""
action="" data-remote="true"
data-remote="true" method="post">
method="post" {% csrf_token %}
> <p>
{% csrf_token %} <label for="name">Name</label>
<p> <input id="name" class="form-control"
<label for="name">Name</label> name="package-name"
<input placeholder="Name"/>
id="name" </p>
class="form-control" <p>
name="package-name" <label for="description">Description</label>
placeholder="Name" <input id="description"
/> type="text"
</p> rows="3"
<p> class="form-control"
<label for="description">Description</label> placeholder="Description..."
<input name="package-description"/>
id="description" </p>
type="text" </form>
rows="3" </div>
class="form-control" <div class="modal-footer">
placeholder="Description..." <a id="new_package_modal_form_submit"
name="package-description" class="btn btn-primary"
/> href="#">Submit</a>
</p> <button type="button"
</form> class="btn btn-default"
</div> data-dismiss="modal">Cancel
<div class="modal-footer"> </button>
<a id="new_package_modal_form_submit" class="btn btn-primary" href="#" </div>
>Submit</a </div>
>
<button type="button" class="btn btn-default" data-dismiss="modal">
Cancel
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function() {
$("#new_package_modal_form_submit").on("click", function (e) { $('#new_package_modal_form_submit').on('click', function (e) {
e.preventDefault(); e.preventDefault();
$("#new_package_modal_form").submit(); $('#new_package_modal_form').submit();
}); });
}); });
</script> </script>

View File

@ -1,376 +1,301 @@
{% load static %} {% load static %}
<div <div class="modal fade" tabindex="-1" id="new_pathway_modal" role="dialog" aria-labelledby="new_pathway_modal"
class="modal fade" aria-hidden="true" style="overflow-y: auto;">
tabindex="-1" <!-- FIXME: make width dynamic-->
id="new_pathway_modal" <div class="modal-dialog" id="new_pathway_modal_dialog" style="width:900px">
role="dialog" <div class="modal-content">
aria-labelledby="new_pathway_modal" <div class="modal-header">
aria-hidden="true" <button type="button" class="close" data-dismiss="modal">
style="overflow-y: auto;" <span aria-hidden="true">&times;</span> <span class="sr-only">Close</span>
> </button>
<!-- FIXME: make width dynamic--> <h4 class="js-title-step"></h4>
<div class="modal-dialog" id="new_pathway_modal_dialog" style="width:900px">
<div class="modal-content">
<div class="modal-header">
<button type="button" class="close" data-dismiss="modal">
<span aria-hidden="true">&times;</span>
<span class="sr-only">Close</span>
</button>
<h4 class="js-title-step"></h4>
</div>
<div class="modal-body hide" data-step="1" data-title="New Pathway">
<div class="jumbotron">
Create a new pathway by entering the root compound and a name. Then
select if you want to use the prediction engine to generate a
predicted pathway or create an empty pathway that you fill in by
yourself. If you choose to predict a pathway, you can modify the
settings for the prediction, or use the default settings and just
click Submit.
</div>
<div class="modal-body">
{% if current_user.name == 'anonymous' %}
<div class="alert alert-warning">
You are currently logged in as Anonymous. Please note: Pathways
entered or predicted as anonymous user will be deleted after 30
days. Please log in to save your results.
</div> </div>
{% endif %} <div class="modal-body hide" data-step="1" data-title="New Pathway">
</div> <div class="jumbotron">Create a new pathway by entering
<div class="row"> the root compound and a name. Then select if you want to
<div class="col-md-6"> use the prediction engine to generate a predicted pathway or
<label for="name">Name</label> create an empty pathway that you fill in by yourself. If
<input you choose to predict a pathway, you can modify the
id="name" settings for the prediction, or use the default settings
class="form-control" and just click Submit.
name="name" </div>
placeholder="Name" <div class="modal-body">
/> {% if current_user.name == 'anonymous' %}
<label for="description">Description</label> <div class="alert alert-warning">
<input You are currently logged in as Anonymous. Please note:
id="description" Pathways entered or predicted as anonymous user will be deleted after 30 days.
class="form-control" Please log in to save your results.
name="description" </div>
placeholder="no description" {% endif %}
/> </div>
</div> <div class="row">
<div class="col-md-6">
<label for="name">Name</label>
<input id="name" class="form-control" name="name" placeholder="Name"/>
<label for="description">Description</label>
<input id="description" class="form-control" name="description" placeholder="no description"/>
</div>
<div class="col-md-6"> <div class="col-md-6">
<label for="predict">Predict pathway or build yourself?</label> <label for="predict">Predict pathway or build yourself?</label>
<div class="radio" id="predict"> <div class="radio" id="predict">
<p> <p>
<label> <label>
<input <input type="radio" name="predict" id="radioPredict" value="predict" checked/>Predict pathway
type="radio" </label>
name="predict" </p>
id="radioPredict" <p>
value="predict" <label>
checked <input type="radio" name="predict" id="radioIncremental"value="incremental"/>Incremental prediction
/>Predict pathway </label>
</label> </p>
</p> <p>
<p> <label>
<label> <input type="radio" name="predict" id="radioBuild" value="build"/>Build pathway
<input </label>
type="radio" </p>
name="predict" </div>
id="radioIncremental" </div>
value="incremental" </div>
/>Incremental prediction <label for="smilesinput">SMILES</label>
</label> <table style="width: 100%">
</p> <colgroup>
<p> <col span="1" style="width: 90%;">
<label> <col span="1" style="width: 10%;">
<input </colgroup>
type="radio" <tr>
name="predict" <td>
id="radioBuild" <input id="smilesinput" class="form-control" name="smilesinput" placeholder="C1CCCCC1"
value="build" autocapitalize="none"/>
/>Build pathway </td>
</label> <td>
</p> <button type="button" class="btn btn-default" id="render-button">
Render
</button>
</td>
</tr>
</table>
<p id="ketcher_container"></p>
<div>
<iframe id="ifKetcher" src="{% static '/js/ketcher/ketcher.html' %}" width="850"
height="510"></iframe>
</div>
</div> </div>
</div> <div class="modal-body hide" data-step="2" data-title="New Pathway - Advanced Settings">
</div> <div class="jumbotron">Choose if you want to use an existing
<label for="smilesinput">SMILES</label> setting, or create a new one for this pathway
<table style="width: 100%"> prediction. Then click Submit to use the specified setting,
<colgroup> or click next to set the parameters.
<col span="1" style="width: 90%;" /> </div>
<col span="1" style="width: 10%;" /> <div id="settings">
</colgroup> <div class="radio" id="settingRadio">
<tr> <p>
<td> <label>
<input <input type="radio" name="existing" id="radioDefault" value="exisiting" checked/>
id="smilesinput" Use Default
class="form-control" </label>
name="smilesinput" </p>
placeholder="C1CCCCC1" <p>
autocapitalize="none" <label>
/> <input type="radio" name="existing" id="radioExists" value="exisiting"/>
</td> Select Existing
<td> </label>
<button type="button" class="btn btn-default" id="render-button"> </p>
Render <p>
</button> <label>
</td> <input type="radio" name="existing" id="radioNew" value="temporary"/>
</tr> Create New
</table> </label>
<p id="ketcher_container"></p> </p>
<div> </div>
<iframe
id="ifKetcher"
src="{% static '/js/ketcher/ketcher.html' %}"
width="850"
height="510"
></iframe>
</div>
</div>
<div
class="modal-body hide"
data-step="2"
data-title="New Pathway - Advanced Settings"
>
<div class="jumbotron">
Choose if you want to use an existing setting, or create a new one for
this pathway prediction. Then click Submit to use the specified
setting, or click next to set the parameters.
</div>
<div id="settings">
<div class="radio" id="settingRadio">
<p>
<label>
<input
type="radio"
name="existing"
id="radioDefault"
value="exisiting"
checked
/>
Use Default
</label>
</p>
<p>
<label>
<input
type="radio"
name="existing"
id="radioExists"
value="exisiting"
/>
Select Existing
</label>
</p>
<p>
<label>
<input
type="radio"
name="existing"
id="radioNew"
value="temporary"
/>
Create New
</label>
</p>
</div>
<select id="settingSelect" name="settingSelect" class="form-control"> <select id="settingSelect" name="settingSelect" class="form-control">
{% for setting in available_settings %} {% for setting in available_settings %}
<option value="{{ setting.id }}">{{ setting.name|safe }}</option> <option value="{{ setting.id }}">{{ setting.name }}</option>
{% endfor %} {% endfor %}
</select> </select>
<p></p> <p></p>
</div>
</div>
{% with step_offset=1 %}
{% include "templates/modals/collections/new_setting_modal_body.html" %}
{% endwith %}
<div class="modal-footer">
<button type="button" class="btn btn-default js-btn-step pull-left" data-orientation="cancel"
onclick="reset()" data-dismiss="modal"></button>
<button type="button" class="btn btn-default js-btn-step" data-orientation="previous"
id="backbutton"></button>
<button type="button" class="btn btn-default js-btn-step" data-orientation="next"
id="nextbutton"></button>
<a id="modal-form-submit" class="btn btn-primary" href="#">Submit</a>
</div>
</div> </div>
</div>
{% with step_offset=1 %}
{% include "templates/modals/collections/new_setting_modal_body.html" %}
{% endwith %}
<div class="modal-footer">
<button
type="button"
class="btn btn-default js-btn-step pull-left"
data-orientation="cancel"
onclick="reset()"
data-dismiss="modal"
></button>
<button
type="button"
class="btn btn-default js-btn-step"
data-orientation="previous"
id="backbutton"
></button>
<button
type="button"
class="btn btn-default js-btn-step"
data-orientation="next"
id="nextbutton"
></button>
<a id="modal-form-submit" class="btn btn-primary" href="#">Submit</a>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
s = new Setting( s = new Setting(
"settingName", 'settingName',
"package_multi_select", 'package_multi_select',
"modelSelect", 'modelSelect',
"cutoff", 'cutoff',
"evalType", 'evalType',
"availableTS", 'availableTS',
"forms", 'forms',
"truncatorTable", 'truncatorTable',
"summaryTable", 'summaryTable',
); );
$(function () { $(function() {
// hide all forms // hide all forms
$("#forms").children().hide(); $('#forms').children().hide()
$("#render-button").on("click", function () { $("#render-button").on("click", function() {
syncKetcherAndTextInput("text", "ifKetcher", "smilesinput"); syncKetcherAndTextInput('text', "ifKetcher", "smilesinput");
}); });
// If theres a change in the in '#smilesinput' sync the value to ketcher // If theres a change in the in '#smilesinput' sync the value to ketcher
$("#smilesinput").on("input", function () { $('#smilesinput').on('input', function() {
syncKetcherAndTextInput("text", "ifKetcher", "smilesinput"); syncKetcherAndTextInput('text', 'ifKetcher', 'smilesinput');
}); });
// If theres an update in ketcher sync it to textinput // If theres an update in ketcher sync it to textinput
setInterval(function () { setInterval(function() {
syncKetcherAndTextInput("ketcher", "ifKetcher", "smilesinput"); syncKetcherAndTextInput('ketcher', 'ifKetcher', 'smilesinput');
}, 250); }, 250);
$("#smilesinput").on("blur", function () { $("#smilesinput").on("blur", function() {
syncKetcherAndTextInput("text", "ifKetcher", "smilesinput"); syncKetcherAndTextInput('text', 'ifKetcher', 'smilesinput');
}); });
$("#smilesinput").on("keypress", function (event) { $("#smilesinput").on("keypress", function(event) {
if (event.keyCode == 13) { if (event.keyCode == 13) {
syncKetcherAndTextInput("text", "ifKetcher", "smilesinput"); syncKetcherAndTextInput('text', 'ifKetcher', 'smilesinput');
} }
}); });
// Show forms depending on the selected TS // Show forms depending on the selected TS
$("#availableTS").on("change", function (e) { $('#availableTS').on('change', function(e) {
e.preventDefault(); e.preventDefault();
var type = $(this).val(); var type = $(this).val();
// hide current content // hide current content
$("#forms").children().hide(); $('#forms').children().hide()
if (type === "") { if(type === '') {
return; return;
} }
$("#" + type + "_form").show(); $('#' + type + '_form').show()
}); });
$("#modelSelect").on("change", function () { $("#modelSelect").on("change", function() {
setCutoff = function (thresh) { setCutoff = function (thresh) {
$("#cutoff").val(thresh); $("#cutoff").val(thresh);
}; }
var modelUri = $("#modelSelect :selected").val(); var modelUri = $("#modelSelect :selected").val();
fillPRCurve(modelUri, setCutoff); fillPRCurve(modelUri, setCutoff);
}); });
// Add a TS to the setting // Add a TS to the setting
$("#add-ts-button").on("click", function (e) { $('#add-ts-button').on('click', function(e) {
e.preventDefault(); e.preventDefault();
s.addTruncator(); s.addTruncator();
}); });
$("input[type=radio][name=predict]").change(function () { $('input[type=radio][name=predict]').change(function() {
if (this.id == "radioBuild") { if (this.id == 'radioBuild') {
$("#nextbutton").prop("disabled", true); $("#nextbutton").prop("disabled", true);
} else {
$("#nextbutton").prop("disabled", false);
}
});
$("input[type=radio][name=existing]").change(function () {
if (this.id == "radioDefault" || this.id == "radioExists") {
if (this.id == "radioDefault") {
$("#settingSelect").prop("disabled", true);
} else { } else {
$("#settingSelect").prop("disabled", false); $("#nextbutton").prop("disabled", false);
} }
$("#nextbutton").prop("disabled", true);
} else {
// build...
$("#settingSelect").prop("disabled", true);
$("#nextbutton").prop("disabled", false);
}
}); });
var pwStep1 = function () { $('input[type=radio][name=existing]').change(function() {
console.log("pw step 1"); if (this.id == 'radioDefault' || this.id == 'radioExists') {
// Make "Next" to "Advanced" if(this.id == 'radioDefault') {
$("#nextbutton").val("Advanced"); $("#settingSelect").prop("disabled", true);
}; } else {
$("#settingSelect").prop("disabled", false);
}
$("#nextbutton").prop("disabled", true);
} else {
// build...
$("#settingSelect").prop("disabled", true);
$("#nextbutton").prop("disabled", false);
}
});
var pwStep2 = function () { var pwStep1 = function() {
console.log("pw step 2"); console.log("pw step 1");
// Make "Advanced" to "Next" // Make "Next" to "Advanced"
$("#nextbutton").val("Next"); $('#nextbutton').val("Advanced");
// As "Use default is preselected" disable "Next" button
$("#nextbutton").prop("disabled", true);
// Disable setting dropdown as long as the correspndonding radio isnt checked
$("#settingSelect").prop("disabled", true);
// Show submit button
$("#modal-form-submit").show();
};
var settingStep1 = function () {
// First step sets name and packages
s.extractName();
s.extractSelectedPackages();
};
var settingStep2 = function () {
// Seconds step gathers relative reasoning params
s.extractRelativeReasoning();
s.extractCutoff();
s.extractEvaluationType();
};
var settingStep3 = function () {
s.updateTable();
s.updateSummaryTable();
// hide duplicate submit...
$("#nextbutton").hide();
};
var postPathway = function () {
console.log("Complete!");
console.log(s.tsParams);
console.log("Getting SMILES");
};
function dummy() {
console.log("dummy");
} }
$("#new_pathway_modal").modalSteps({ var pwStep2 = function() {
btnCancelHtml: "Cancel", console.log("pw step 2");
btnPreviousHtml: "Back", // Make "Advanced" to "Next"
btnNextHtml: "Next", $('#nextbutton').val("Next");
btnLastStepHtml: "Submit", // As "Use default is preselected" disable "Next" button
$("#nextbutton").prop("disabled",true);
// Disable setting dropdown as long as the correspndonding radio isnt checked
$("#settingSelect").prop("disabled",true);
// Show submit button
$("#modal-form-submit").show();
}
var settingStep1 = function (){
// First step sets name and packages
s.extractName();
s.extractSelectedPackages();
}
var settingStep2 = function (){
// Seconds step gathers relative reasoning params
s.extractRelativeReasoning();
s.extractCutoff();
s.extractEvaluationType();
}
var settingStep3 = function() {
s.updateTable();
s.updateSummaryTable();
// hide duplicate submit...
$("#nextbutton").hide();
}
var postPathway = function(){
console.log("Complete!");
console.log(s.tsParams);
console.log("Getting SMILES");
}
function dummy() {
console.log("dummy");
}
$('#new_pathway_modal').modalSteps({
btnCancelHtml: 'Cancel',
btnPreviousHtml: 'Back',
btnNextHtml: 'Next',
btnLastStepHtml: 'Submit',
disableNextButton: false, disableNextButton: false,
completeCallback: postPathway, completeCallback: postPathway,
callbacks: { callbacks: {
1: pwStep1, '1': pwStep1,
2: pwStep2, '2' : pwStep2,
3: dummy, '3' : dummy,
4: settingStep1, '4' : settingStep1,
5: settingStep2, '5' : settingStep2,
6: settingStep3, '6' : settingStep3,
}, }
}); });
$("#modal-form-submit").on("click", function () { $('#modal-form-submit').on('click', function() {
e.preventDefault(); e.preventDefault();
postPathway(); postPathway();
}); });
}); });
</script>
</script>

View File

@ -1,185 +1,108 @@
{% load static %} {% load static %}
<div id="new_prediction_setting_modal" class="modal" tabindex="-1"> <div id="new_prediction_setting_modal" class="modal" tabindex="-1">
<div class="modal-dialog"> <div class="modal-dialog">
<div class="modal-content"> <div class="modal-content">
<div class="modal-header"> <div class="modal-header">
<h5 class="modal-title">Create a Prediction Setting</h5> <h5 class="modal-title">Create a Prediction Setting</h5>
<button <button type="button" class="close" data-dismiss="modal" aria-label="Close">
type="button" <span aria-hidden="true">&times;</span>
class="close" </button>
data-dismiss="modal" </div>
aria-label="Close" <div class="modal-body">
> <p>To create a Prediction Setting fill the form below and click "Create"</p>
<span aria-hidden="true">&times;</span> <form id="new-prediction-setting-modal-form" accept-charset="UTF-8" action="" data-remote="true"
</button> method="post">
</div> {% csrf_token %}
<div class="modal-body">
<p>
To create a Prediction Setting fill the form below and click "Create"
</p>
<form
id="new-prediction-setting-modal-form"
accept-charset="UTF-8"
action=""
data-remote="true"
method="post"
>
{% csrf_token %}
<label for="prediction-setting-name">Name</label> <label for="prediction-setting-name">Name</label>
<input <input id="prediction-setting-name" name="prediction-setting-name" class="form-control" placeholder="Name"/>
id="prediction-setting-name" <label for="prediction-setting-description">Description</label>
name="prediction-setting-name" <input id="prediction-setting-description" name="prediction-setting-description" class="form-control"
class="form-control" placeholder="Description"/>
placeholder="Name"
/>
<label for="prediction-setting-description">Description</label>
<input
id="prediction-setting-description"
name="prediction-setting-description"
class="form-control"
placeholder="Description"
/>
<label for="prediction-setting-max-nodes">Max #Nodes</label> <label for="prediction-setting-max-nodes">Max #Nodes</label>
<input <input id="prediction-setting-max-nodes" type="number" class="form-control" name="prediction-setting-max-nodes" value="30" min="1" max="50" step="1">
id="prediction-setting-max-nodes" <label for="prediction-setting-max-depth">Max Depth</label>
type="number" <input id="prediction-setting-max-depth" type="number" class="form-control" name="prediction-setting-max-depth" value="5" min="1" max="8" step="1">
class="form-control"
name="prediction-setting-max-nodes"
value="30"
min="1"
max="50"
step="1"
/>
<label for="prediction-setting-max-depth">Max Depth</label>
<input
id="prediction-setting-max-depth"
type="number"
class="form-control"
name="prediction-setting-max-depth"
value="5"
min="1"
max="8"
step="1"
/>
<label for="tp-generation-method">TP Generation Method</label> <label for="tp-generation-method">TP Generation Method</label>
<select <select id="tp-generation-method" name="tp-generation-method" class="form-control" data-width='100%'>
id="tp-generation-method" <option disabled selected>Select how TPs are generated</option>
name="tp-generation-method" <option value="rule-based-prediction-setting">Rule Based</option>
class="form-control" <option value="model-based-prediction-setting">Model Based</option>
data-width="100%" </select>
> <div id="rule-based-prediction-setting-specific-form">
<option disabled selected>Select how TPs are generated</option> <!-- Rule Packages -->
<option value="rule-based-prediction-setting">Rule Based</option> <label>Rule Packages</label><br>
<option value="model-based-prediction-setting">Model Based</option> <select id="rule-based-prediction-setting-packages" name="rule-based-prediction-setting-packages"
</select> data-actions-box='true' class="form-control" multiple data-width='100%'>
<div id="rule-based-prediction-setting-specific-form"> <option disabled>Reviewed Packages</option>
<!-- Rule Packages --> {% for obj in meta.readable_packages %}
<label>Rule Packages</label><br /> {% if obj.reviewed %}
<select <option value="{{ obj.url }}">{{ obj.name }}</option>
id="rule-based-prediction-setting-packages" {% endif %}
name="rule-based-prediction-setting-packages" {% endfor %}
data-actions-box="true"
class="form-control"
multiple
data-width="100%"
>
<option disabled>Reviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option>
{% endif %}
{% endfor %}
<option disabled>Unreviewed Packages</option> <option disabled>Unreviewed Packages</option>
{% for obj in meta.readable_packages %} {% for obj in meta.readable_packages %}
{% if not obj.reviewed %} {% if not obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option> <option value="{{ obj.url }}">{{ obj.name }}</option>
{% endif %} {% endif %}
{% endfor %} {% endfor %}
</select> </select>
</div> </div>
<div id="model-based-prediction-setting-specific-form"> <div id="model-based-prediction-setting-specific-form">
<label>Select Model</label><br /> <label>Select Model</label><br>
<select <select id="model-based-prediction-setting-model" name="model-based-prediction-setting-model" class="form-control" data-width='100%'>
id="model-based-prediction-setting-model" <option disabled selected>Select the model</option>
name="model-based-prediction-setting-model" {% for m in models %}
class="form-control" <option value="{{ m.url }}">{{ m.name }}</option>
data-width="100%" {% endfor %}
> </select>
<option disabled selected>Select the model</option> <label for="model-based-prediction-setting-threshold">Threshold</label>
{% for m in models %} <input id="model-based-prediction-setting-threshold" name="model-based-prediction-setting-threshold" class="form-control" placeholder="0.25" type="number"/>
<option value="{{ m.url }}">{{ m.name|safe }}</option> </div>
{% endfor %}
</select>
<label for="model-based-prediction-setting-threshold"
>Threshold</label
>
<input
id="model-based-prediction-setting-threshold"
name="model-based-prediction-setting-threshold"
class="form-control"
placeholder="0.25"
type="number"
/>
</div>
<input <input class="form-check-input" type="checkbox" value="on" id="prediction-setting-new-default" name="prediction-setting-new-default">
class="form-check-input" <label class="form-check-label" for="prediction-setting-new-default">Set this setting as new default</label>
type="checkbox"
value="on" </form>
id="prediction-setting-new-default" </div>
name="prediction-setting-new-default" <div class="modal-footer">
/> <button type="button" class="btn btn-secondary" data-dismiss="modal">Close</button>
<label class="form-check-label" for="prediction-setting-new-default" <button type="button" class="btn btn-primary" id="new-prediction-setting-modal-submit">Create</button>
>Set this setting as new default</label </div>
> </div>
</form>
</div>
<div class="modal-footer">
<button type="button" class="btn btn-secondary" data-dismiss="modal">
Close
</button>
<button
type="button"
class="btn btn-primary"
id="new-prediction-setting-modal-submit"
>
Create
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function() {
// Initially hide all "specific" forms
$("div[id$='-specific-form']").each(function () {
$(this).hide();
});
$("#rule-based-prediction-setting-packages").selectpicker(); // Initially hide all "specific" forms
$("div[id$='-specific-form']").each( function() {
$(this).hide();
});
// On change hide all and show only selected $("#rule-based-prediction-setting-packages").selectpicker();
$("#tp-generation-method").change(function () {
$("div[id$='-specific-form']").each(function () {
$(this).hide();
});
val = $("option:selected", this).val();
$("#" + val + "-specific-form").show();
});
$("#new-prediction-setting-modal-submit").click(function (e) { // On change hide all and show only selected
e.preventDefault(); $("#tp-generation-method").change(function() {
// $('#new-prediction-setting-modal-form').submit(); $("div[id$='-specific-form']").each( function() {
$(this).hide();
});
val = $('option:selected', this).val();
$("#" + val + "-specific-form").show();
});
const formData = $("#new-prediction-setting-modal-form").serialize(); $('#new-prediction-setting-modal-submit').click(function(e){
$.post("/setting", formData, function (response) { e.preventDefault();
location.reload(); // $('#new-prediction-setting-modal-form').submit();
});
}); const formData = $('#new-prediction-setting-modal-form').serialize();
}); $.post('/setting', formData, function(response) {
location.reload();
});
});
})
</script> </script>

View File

@ -1,91 +1,50 @@
{% load static %} {% load static %}
<div <div class="modal fade bs-modal-lg" id="new_reaction_modal" tabindex="-1" aria-labelledby="new_reaction_modal" aria-modal="true"
class="modal fade bs-modal-lg" role="dialog">
id="new_reaction_modal" <div class="modal-dialog modal-lg">
tabindex="-1" <div class="modal-content">
aria-labelledby="new_reaction_modal" <div class="modal-header">
aria-modal="true" <button type="button" class="close" data-dismiss="modal" aria-label="Close">
role="dialog" <span aria-hidden="true">×</span>
> </button>
<div class="modal-dialog modal-lg"> <h4 class="modal-title">Create a new Reaction</h4>
<div class="modal-content"> </div>
<div class="modal-header"> <div class="modal-body">
<button <form id="new_reaction_modal_form" accept-charset="UTF-8" action="{% url 'package reaction list' meta.current_package.uuid %}" data-remote="true" method="post">
type="button" {% csrf_token %}
class="close" <label for="reaction-name">Name</label>
data-dismiss="modal" <input id="reaction-name" class="form-control" name="reaction-name" placeholder="Name"/>
aria-label="Close" <label for="reaction-description">Description</label>
> <input id="reaction-description" class="form-control" name="reaction-description" placeholder="Description"/>
<span aria-hidden="true">×</span> <p></p>
</button> <div>
<h4 class="modal-title">Create a new Reaction</h4> <iframe id="new_reaction_ketcher" src="{% static '/js/ketcher2/ketcher.html' %}" width="100%"
</div> height="510"></iframe>
<div class="modal-body"> </div>
<form <input type="hidden" name="reaction-smirks" id="reaction-smirks">
id="new_reaction_modal_form" <p></p>
accept-charset="UTF-8" </form>
action="{% url 'package reaction list' meta.current_package.uuid %}" </div>
data-remote="true" <div class="modal-footer">
method="post" <button type="button" class="btn btn-secondary pull-left" data-dismiss="modal">Close
> </button>
{% csrf_token %} <button type="button" class="btn btn-primary" id="new_reaction_modal_form_submit">Submit</button>
<label for="reaction-name">Name</label> </div>
<input </div>
id="reaction-name"
class="form-control"
name="reaction-name"
placeholder="Name"
/>
<label for="reaction-description">Description</label>
<input
id="reaction-description"
class="form-control"
name="reaction-description"
placeholder="Description"
/>
<p></p>
<div>
<iframe
id="new_reaction_ketcher"
src="{% static '/js/ketcher2/ketcher.html' %}"
width="100%"
height="510"
></iframe>
</div>
<input type="hidden" name="reaction-smirks" id="reaction-smirks" />
<p></p>
</form>
</div>
<div class="modal-footer">
<button
type="button"
class="btn btn-secondary pull-left"
data-dismiss="modal"
>
Close
</button>
<button
type="button"
class="btn btn-primary"
id="new_reaction_modal_form_submit"
>
Submit
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function() {
$("#new_reaction_modal_form_submit").on("click", function (e) { $('#new_reaction_modal_form_submit').on('click', function(e) {
e.preventDefault(); e.preventDefault();
$(this).prop("disabled", true); $(this).prop("disabled",true);
k = getKetcher("new_reaction_ketcher"); k = getKetcher('new_reaction_ketcher');
$("#reaction-smirks").val(k.getSmiles()); $('#reaction-smirks').val(k.getSmiles());
// submit form // submit form
$("#new_reaction_modal_form").submit(); $('#new_reaction_modal_form').submit();
}); });
}); });
</script> </script>

View File

@ -1,120 +1,72 @@
{% load static %} {% load static %}
<div <div class="modal fade bs-modal-lg" id="new_rule_modal" tabindex="-1" aria-labelledby="new_rule_modal" aria-modal="true"
class="modal fade bs-modal-lg" role="dialog">
id="new_rule_modal" <div class="modal-dialog modal-lg">
tabindex="-1" <div class="modal-content">
aria-labelledby="new_rule_modal" <div class="modal-header">
aria-modal="true" <button type="button" class="close" data-dismiss="modal" aria-label="Close">
role="dialog" <span aria-hidden="true">×</span>
> </button>
<div class="modal-dialog modal-lg"> <h4 class="modal-title">Create a new Rule</h4>
<div class="modal-content"> </div>
<div class="modal-header"> <div class="modal-body">
<button <form id="new_rule_modal_form" accept-charset="UTF-8" action="{% url 'package rule list' meta.current_package.uuid %}" data-remote="true" method="post">
type="button" {% csrf_token %}
class="close" <label for="rule-name">Name</label>
data-dismiss="modal" <input id="rule-name" class="form-control" name="rule-name" placeholder="Name"/>
aria-label="Close" <label for="rule-description">Description</label>
> <input id="rule-description" class="form-control" name="rule-description" placeholder="Description"/>
<span aria-hidden="true">×</span> <label for="rule-smirks">SMIRKS</label>
</button> <input id="rule-smirks" class="form-control" name="rule-smirks" placeholder="SMIRKS"/>
<h4 class="modal-title">Create a new Rule</h4> <p></p>
</div> <div id="rule-smirks-viz"></div>
<div class="modal-body"> <input type="hidden" name="rule-type" id="rule-type" value="SimpleAmbitRule">
<form <p></p>
id="new_rule_modal_form" </form>
accept-charset="UTF-8" </div>
action="{% url 'package rule list' meta.current_package.uuid %}" <div class="modal-footer">
data-remote="true" <button type="button" class="btn btn-secondary pull-left" data-dismiss="modal">Close
method="post" </button>
> <button type="button" class="btn btn-primary" id="new_rule_modal_form_submit">Submit</button>
{% csrf_token %} </div>
<label for="rule-name">Name</label> </div>
<input
id="rule-name"
class="form-control"
name="rule-name"
placeholder="Name"
/>
<label for="rule-description">Description</label>
<input
id="rule-description"
class="form-control"
name="rule-description"
placeholder="Description"
/>
<label for="rule-smirks">SMIRKS</label>
<input
id="rule-smirks"
class="form-control"
name="rule-smirks"
placeholder="SMIRKS"
/>
<p></p>
<div id="rule-smirks-viz"></div>
<input
type="hidden"
name="rule-type"
id="rule-type"
value="SimpleAmbitRule"
/>
<p></p>
</form>
</div>
<div class="modal-footer">
<button
type="button"
class="btn btn-secondary pull-left"
data-dismiss="modal"
>
Close
</button>
<button
type="button"
class="btn btn-primary"
id="new_rule_modal_form_submit"
>
Submit
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function() {
$("#rule-smirks").on("input", function (e) {
$("#rule-smirks-viz").empty();
smirks = $("#rule-smirks").val(); $('#rule-smirks').on('input', function(e) {
$('#rule-smirks-viz').empty()
const img = new Image(); smirks = $('#rule-smirks').val()
img.src =
"{% url 'depict' %}?is_query_smirks=true&smirks=" +
encodeURIComponent(smirks);
img.style.width = "100%";
img.style.height = "100%";
img.style.objectFit = "cover";
img.onload = function () { const img = new Image();
$("#rule-smirks-viz").append(img); img.src = "{% url 'depict' %}?is_query_smirks=true&smirks=" + encodeURIComponent(smirks);
}; img.style.width = '100%';
img.style.height = '100%';
img.style.objectFit = 'cover';
img.onerror = function () { img.onload = function () {
error_tpl = ` $('#rule-smirks-viz').append(img);
};
img.onerror = function () {
error_tpl = `
<div class="alert alert-error" role="alert"> <div class="alert alert-error" role="alert">
<h4 class="alert-heading">Could not render SMIRKS!</h4> <h4 class="alert-heading">Could not render SMIRKS!</h4>
<p>Could not render SMIRKS - Have you entered a valid SMIRKS?</a> <p>Could not render SMIRKS - Have you entered a valid SMIRKS?</a>
</p> </p>
</div>`; </div>`
$("#rule-smirks-viz").append(error_tpl); $('#rule-smirks-viz').append(error_tpl);
}; };
}); });
$("#new_rule_modal_form_submit").on("click", function (e) { $('#new_rule_modal_form_submit').on('click', function(e) {
e.preventDefault(); e.preventDefault();
$(this).prop("disabled", true); $(this).prop("disabled",true);
// submit form // submit form
$("#new_rule_modal_form").submit(); $('#new_rule_modal_form').submit();
}); });
}); });
</script> </script>

View File

@ -1,153 +1,102 @@
<div <div class="modal fade" tabindex="-1" id="new_scenario_modal" role="dialog" aria-labelledby="new_scenario_modal"
class="modal fade" aria-hidden="true">
tabindex="-1" <div class="modal-dialog modal-lg">
id="new_scenario_modal" <div class="modal-content">
role="dialog" <div class="modal-header">
aria-labelledby="new_scenario_modal" <button type="button" class="close" data-dismiss="modal">
aria-hidden="true" <span aria-hidden="true">&times;</span>
> <span class="sr-only">Close</span>
<div class="modal-dialog modal-lg"> </button>
<div class="modal-content"> <h4 class="modal-title">New Scenario</h4>
<div class="modal-header">
<button type="button" class="close" data-dismiss="modal">
<span aria-hidden="true">&times;</span>
<span class="sr-only">Close</span>
</button>
<h4 class="modal-title">New Scenario</h4>
</div>
<div class="modal-body">
<form
id="new_scenario_form"
accept-charset="UTF-8"
action="{{ meta.current_package.url }}/scenario"
data-remote="true"
method="post"
>
{% csrf_token %}
<div class="jumbotron">
Please enter name, description, and date of scenario. Date should be
associated to the data, not the current date. For example, this
could reflect the publishing date of a study. You can leave all
fields but the name empty and fill them in later.
<a
target="_blank"
href="https://wiki.envipath.org/index.php/scenario"
role="button"
>wiki &gt;&gt;</a
>
</div>
<label for="scenario-name">Name</label>
<input
id="scenario-name"
name="scenario-name"
class="form-control"
placeholder="Name"
/>
<label for="scenario-description">Description</label>
<input
id="scenario-description"
name="scenario-description"
class="form-control"
placeholder="Description"
/>
<label id="dateField" for="dateYear">Date</label>
<table>
<tr>
<th>
<input
type="number"
id="dateYear"
name="scenario-date-year"
class="form-control"
placeholder="YYYY"
max="{% now "Y" %}"
/>
</th>
<th>
<input
type="number"
id="dateMonth"
name="scenario-date-month"
min="1"
max="12"
class="form-control"
placeholder="MM"
/>
</th>
<th>
<input
type="number"
id="dateDay"
name="scenario-date-day"
min="1"
max="31"
class="form-control"
placeholder="DD"
/>
</th>
</tr>
</table>
<label for="scenario-type">Scenario Type</label>
<select
id="scenario-type"
name="scenario-type"
class="form-control"
data-width="100%"
>
<option value="empty" selected>Empty Scenario</option>
{% for k, v in scenario_types.items %}
<option value="{{ v.name }}">{{ k }}</option>
{% endfor %}
</select>
{% for type in scenario_types.values %}
<div id="{{ type.name }}-specific-inputs">
{% for widget in type.widgets %}
{{ widget|safe }}
{% endfor %}
</div> </div>
{% endfor %} <div class="modal-body">
</form> <form id="new_scenario_form" accept-charset="UTF-8" action="{{ meta.current_package.url }}/scenario"
</div> data-remote="true" method="post">
<div class="modal-footer"> {% csrf_token %}
<a id="new_scenario_modal_form_submit" class="btn btn-primary" href="#" <div class="jumbotron">Please enter name, description, and date of scenario. Date should be
>Submit</a associated to the data, not the current date. For example, this could reflect the publishing
> date of a study. You can leave all fields but the name empty and fill them in later.
<button type="button" class="btn btn-default" data-dismiss="modal"> <a target="_blank" href="https://wiki.envipath.org/index.php/scenario" role="button">wiki
Cancel &gt;&gt;</a>
</button> </div>
</div> <label for="scenario-name">Name</label>
<input id="scenario-name" name="scenario-name" class="form-control" placeholder="Name"/>
<label for="scenario-description">Description</label>
<input id="scenario-description" name="scenario-description" class="form-control"
placeholder="Description"/>
<label id="dateField" for="dateYear">Date</label>
<table>
<tr>
<th>
<input type="number" id="dateYear" name="scenario-date-year" class="form-control"
placeholder="YYYY" max="{% now "Y" %}">
</th>
<th>
<input type="number" id="dateMonth" name="scenario-date-month" min="1" max="12"
class="form-control" placeholder="MM" >
</th>
<th>
<input type="number" id="dateDay" name="scenario-date-day" min="1" max="31" class="form-control"
placeholder="DD">
</th>
</tr>
</table>
<label for="scenario-type">Scenario Type</label>
<select id="scenario-type" name="scenario-type" class="form-control" data-width='100%'>
<option value="empty" selected>Empty Scenario</option>
{% for k, v in scenario_types.items %}
<option value="{{ v.name }}">{{ k }}</option>
{% endfor %}
</select>
{% for type in scenario_types.values %}
<div id="{{ type.name }}-specific-inputs">
{% for widget in type.widgets %}
{{ widget|safe }}
{% endfor %}
</div>
{% endfor %}
</form>
</div>
<div class="modal-footer">
<a id="new_scenario_modal_form_submit" class="btn btn-primary" href="#">Submit</a>
<button type="button" class="btn btn-default" data-dismiss="modal">Cancel</button>
</div>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function () {
// Initially hide all "specific" forms // Initially hide all "specific" forms
$("div[id$='-specific-inputs']").each(function () { $("div[id$='-specific-inputs']").each(function () {
$(this).hide(); $(this).hide();
});
// On change hide all and show only selected
$("#scenario-type").change(function () {
$("div[id$='-specific-inputs']").each(function () {
$(this).hide();
});
val = $('option:selected', this).val();
$("#" + val + "-specific-inputs").show();
});
$('#new_scenario_modal_form_submit').on('click', function (e) {
e.preventDefault();
$('#new_scenario_form').submit();
});
var dateYear = document.getElementById("dateYear");
dateYear.addEventListener("change", () => {
console.log("Final value after editing:", dateYear.value);
if (dateYear.value.length < 4) {
dateYear.value = {% now "Y" %};
}
});
}); });
// On change hide all and show only selected
$("#scenario-type").change(function () {
$("div[id$='-specific-inputs']").each(function () {
$(this).hide();
});
val = $("option:selected", this).val();
$("#" + val + "-specific-inputs").show();
});
$("#new_scenario_modal_form_submit").on("click", function (e) {
e.preventDefault();
$("#new_scenario_form").submit();
});
var dateYear = document.getElementById("dateYear");
dateYear.addEventListener("change", () => {
console.log("Final value after editing:", dateYear.value);
if (dateYear.value.length < 4) {
dateYear.value = new Date().getFullYear();
}
});
});
</script> </script>

View File

@ -1,92 +1,61 @@
{% load static %} {% load static %}
<!-- Add Additional Information--> <!-- Add Additional Information-->
<div id="add_additional_information_modal" class="modal" tabindex="-1"> <div id="add_additional_information_modal" class="modal" tabindex="-1">
<div class="modal-dialog"> <div class="modal-dialog">
<div class="modal-content"> <div class="modal-content">
<div class="modal-header"> <div class="modal-header">
<button <button type="button" class="close" data-dismiss="modal" aria-label="Close">
type="button" <span aria-hidden="true">&times;</span>
class="close" </button>
data-dismiss="modal" <h3 class="modal-title">Add Additional Information</h3>
aria-label="Close" </div>
> <div class="modal-body">
<span aria-hidden="true">&times;</span> <select id="select-additional-information-type" data-actions-box='true' class="form-control" data-width='100%'>
</button> <option selected disabled>Select the type to add</option>
<h3 class="modal-title">Add Additional Information</h3> {% for add_inf in available_additional_information %}
</div> <option value="{{ add_inf.name }}">{{ add_inf.display_name }}</option>
<div class="modal-body"> {% endfor %}
<select </select>
id="select-additional-information-type" {% for add_inf in available_additional_information %}
data-actions-box="true" <div class="aiform {{ add_inf.name }}" style="display: none;">
class="form-control" <form id="add_{{ add_inf.name }}_add-additional-information-modal-form" accept-charset="UTF-8"
data-width="100%" action="" data-remote="true" method="post">
> {% csrf_token %}
<option selected disabled>Select the type to add</option> {{ add_inf.widget|safe }}
{% for add_inf in available_additional_information %} <input type="hidden" name="hidden" value="add-additional-information">
<option value="{{ add_inf.name }}"> </form>
{{ add_inf.display_name }} </div>
</option> {% endfor %}
{% endfor %} </div>
</select> <div class="modal-footer">
{% for add_inf in available_additional_information %} <button type="button" class="btn btn-secondary" data-dismiss="modal">Close</button>
<div class="aiform {{ add_inf.name }}" style="display: none;"> <button type="button" class="btn btn-primary" id="add-additional-information-modal-submit">Add
<form </button>
id="add_{{ add_inf.name }}_add-additional-information-modal-form" </div>
accept-charset="UTF-8" </div>
action=""
data-remote="true"
method="post"
>
{% csrf_token %}
{{ add_inf.widget|safe }}
<input
type="hidden"
name="hidden"
value="add-additional-information"
/>
</form>
</div>
{% endfor %}
</div>
<div class="modal-footer">
<button type="button" class="btn btn-secondary" data-dismiss="modal">
Close
</button>
<button
type="button"
class="btn btn-primary"
id="add-additional-information-modal-submit"
>
Add
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function() {
$("#select-additional-information-type").change(function (e) {
var selectedType = $( $('#select-additional-information-type').change(function(e){
"#select-additional-information-type :selected", var selectedType = $("#select-additional-information-type :selected").val();
).val(); $('.aiform').hide();
$(".aiform").hide(); $('.' + selectedType).show();
$("." + selectedType).show(); })
$('#add-additional-information-modal-submit').click(function(e){
e.preventDefault();
var selectedType = $("#select-additional-information-type :selected").val();
console.log(selectedType);
if (selectedType !== null && selectedType !== undefined && selectedType !== '') {
$('.' + selectedType + ' >form').submit();
}
}); });
$("#add-additional-information-modal-submit").click(function (e) { });
e.preventDefault();
var selectedType = $(
"#select-additional-information-type :selected",
).val();
console.log(selectedType);
if (
selectedType !== null &&
selectedType !== undefined &&
selectedType !== ""
) {
$("." + selectedType + " >form").submit();
}
});
});
</script> </script>

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@ -1,174 +1,126 @@
{% load static %} {% load static %}
<div <div class="modal fade bs-modal-lg" id="add_pathway_edge_modal" tabindex="-1" aria-labelledby="add_pathway_edge_modal"
class="modal fade bs-modal-lg" aria-modal="true"
id="add_pathway_edge_modal" role="dialog">
tabindex="-1" <div class="modal-dialog modal-lg">
aria-labelledby="add_pathway_edge_modal" <div class="modal-content">
aria-modal="true" <div class="modal-header">
role="dialog" <button type="button" class="close" data-dismiss="modal" aria-label="Close">
> <span aria-hidden="true">&times;</span>
<div class="modal-dialog modal-lg"> </button>
<div class="modal-content"> <h4 class="modal-title">Add a Reaction</h4>
<div class="modal-header">
<button
type="button"
class="close"
data-dismiss="modal"
aria-label="Close"
>
<span aria-hidden="true">&times;</span>
</button>
<h4 class="modal-title">Add a Reaction</h4>
</div>
<div class="modal-body">
<form
id="add_pathway_edge_modal_form"
accept-charset="UTF-8"
action="{% url 'package pathway edge list' meta.current_package.uuid pathway.uuid %}"
data-remote="true"
method="post"
>
{% csrf_token %}
<label for="edge-name">Name</label>
<input
id="edge-name"
class="form-control"
name="edge-name"
placeholder="Name"
/>
<label for="edge-description">Description</label>
<input
id="edge-description"
class="form-control"
name="edge-description"
placeholder="Description"
/>
<p></p>
<div class="row">
<div class="col-xs-5">
<legend>Substrate(s)</legend>
</div> </div>
<div class="col-xs-2"></div> <div class="modal-body">
<div class="col-xs-5"> <form id="add_pathway_edge_modal_form" accept-charset="UTF-8"
<legend>Product(s)</legend> action="{% url 'package pathway edge list' meta.current_package.uuid pathway.uuid %}"
data-remote="true" method="post">
{% csrf_token %}
<label for="edge-name">Name</label>
<input id="edge-name" class="form-control" name="edge-name" placeholder="Name"/>
<label for="edge-description">Description</label>
<input id="edge-description" class="form-control" name="edge-description" placeholder="Description"/>
<p></p>
<div class="row">
<div class="col-xs-5">
<legend>Substrate(s)</legend>
</div>
<div class="col-xs-2">
</div>
<div class="col-xs-5">
<legend>Product(s)</legend>
</div>
</div>
<div class="row">
<div class="col-xs-5">
<select id="add_pathway_edge_substrates" name="edge-substrates"
data-actions-box='true' class="form-control" multiple data-width='100%'>
{% for n in pathway.nodes %}
<option data-smiles="{{ n.default_node_label.smiles }}" value="{{ n.url }}">{{ n.default_node_label.name }}</option>
{% endfor %}
</select>
</div>
<div class="col-xs-2" style="display: flex; justify-content: center; align-items: center;">
<i class="glyphicon glyphicon-arrow-right"></i>
</div>
<div class="col-xs-5">
<select id="add_pathway_edge_products" name="edge-products"
data-actions-box='true' class="form-control" multiple data-width='100%'>
{% for n in pathway.nodes %}
<option data-smiles="{{ n.default_node_label.smiles }}" value="{{ n.url }}">{{ n.default_node_label.name }}</option>
{% endfor %}
</select>
</div>
</div>
<div class="row">
<p></p>
<div class="col-xs-12" id="reaction_image">
</div>
</div>
</form>
</div> </div>
</div> <div class="modal-footer">
<div class="row"> <button type="button" class="btn btn-secondary pull-left" data-dismiss="modal">Close
<div class="col-xs-5"> </button>
<select <button type="button" class="btn btn-primary" id="add_pathway_edge_modal_form_submit">Submit</button>
id="add_pathway_edge_substrates"
name="edge-substrates"
data-actions-box="true"
class="form-control"
multiple
data-width="100%"
>
{% for n in pathway.nodes %}
<option
data-smiles="{{ n.default_node_label.smiles }}"
value="{{ n.url }}"
>
{{ n.default_node_label.name|safe }}
</option>
{% endfor %}
</select>
</div> </div>
<div </div>
class="col-xs-2"
style="display: flex; justify-content: center; align-items: center;"
>
<i class="glyphicon glyphicon-arrow-right"></i>
</div>
<div class="col-xs-5">
<select
id="add_pathway_edge_products"
name="edge-products"
data-actions-box="true"
class="form-control"
multiple
data-width="100%"
>
{% for n in pathway.nodes %}
<option
data-smiles="{{ n.default_node_label.smiles }}"
value="{{ n.url }}"
>
{{ n.default_node_label.name|safe }}
</option>
{% endfor %}
</select>
</div>
</div>
<div class="row">
<p></p>
<div class="col-xs-12" id="reaction_image"></div>
</div>
</form>
</div>
<div class="modal-footer">
<button
type="button"
class="btn btn-secondary pull-left"
data-dismiss="modal"
>
Close
</button>
<button
type="button"
class="btn btn-primary"
id="add_pathway_edge_modal_form_submit"
>
Submit
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
function reactionImage() {
var substrates = [];
$("#add_pathway_edge_substrates option:selected").each(function () {
var smiles = $(this).data("smiles"); // read data-smiles attribute
substrates.push(smiles);
});
var products = []; function reactionImage() {
$("#add_pathway_edge_products option:selected").each(function () { var substrates = [];
var smiles = $(this).data("smiles"); // read data-smiles attribute $('#add_pathway_edge_substrates option:selected').each(function () {
products.push(smiles); var smiles = $(this).data('smiles'); // read data-smiles attribute
}); substrates.push(smiles);
});
if (substrates.length > 0 && products.length > 0) { var products = []
reaction = substrates.join(".") + ">>" + products.join("."); $('#add_pathway_edge_products option:selected').each(function () {
$("#reaction_image").empty(); var smiles = $(this).data('smiles'); // read data-smiles attribute
$("#reaction_image").append( products.push(smiles);
"<img width='100%' src='{% url 'depict' %}?smirks=" + });
encodeURIComponent(reaction) +
"'>", if (substrates.length > 0 && products.length > 0) {
); reaction = substrates.join('.') + ">>" + products.join('.');
$('#reaction_image').empty();
$('#reaction_image').append(
"<img width='100%' src='{% url 'depict' %}?smirks=" + encodeURIComponent(reaction) +"'>"
);
}
} }
}
$(function () {
$("#add_pathway_edge_substrates").selectpicker();
$("#add_pathway_edge_products").selectpicker();
$("#add_pathway_edge_substrates").on("change", function (e) {
reactionImage();
});
$("#add_pathway_edge_products").on("change", function (e) {
reactionImage();
});
$(function () { $(function () {
$("#add_pathway_edge_modal_form_submit").on("click", function (e) { $("#add_pathway_edge_substrates").selectpicker();
e.preventDefault(); $("#add_pathway_edge_products").selectpicker();
$(this).prop("disabled", true);
$("#add_pathway_edge_substrates").on('change', function (e) {
reactionImage();
})
$("#add_pathway_edge_products").on('change', function (e) {
reactionImage();
})
$(function () {
$('#add_pathway_edge_modal_form_submit').on('click', function (e) {
e.preventDefault();
$(this).prop("disabled", true);
// submit form
$('#add_pathway_edge_modal_form').submit();
});
});
// submit form
$("#add_pathway_edge_modal_form").submit();
});
}); });
});
</script> </script>

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@ -1,119 +1,78 @@
{% load static %} {% load static %}
<div <div class="modal fade bs-modal-lg" id="add_pathway_node_modal" tabindex="-1" aria-labelledby="add_pathway_node_modal" aria-modal="true"
class="modal fade bs-modal-lg" role="dialog">
id="add_pathway_node_modal" <div class="modal-dialog modal-lg">
tabindex="-1" <div class="modal-content">
aria-labelledby="add_pathway_node_modal" <div class="modal-header">
aria-modal="true" <button type="button" class="close" data-dismiss="modal" aria-label="Close">
role="dialog" <span aria-hidden="true">&times;</span>
> </button>
<div class="modal-dialog modal-lg"> <h4 class="modal-title">Add a Node</h4>
<div class="modal-content"> </div>
<div class="modal-header"> <div class="modal-body">
<button <form id="add_pathway_node_modal_form" accept-charset="UTF-8" action="{% url 'package pathway node list' meta.current_package.uuid pathway.uuid %}" data-remote="true" method="post">
type="button" {% csrf_token %}
class="close" <label for="node-name">Name</label>
data-dismiss="modal" <input id="node-name" class="form-control" name="node-name" placeholder="Name"/>
aria-label="Close" <label for="node-description">Description</label>
> <input id="node-description" class="form-control" name="node-description" placeholder="Description"/>
<span aria-hidden="true">&times;</span> <label for="node-smiles">SMILES</label>
</button> <input type="text" class="form-control" name="node-smiles" placeholder="SMILES" id="node-smiles">
<h4 class="modal-title">Add a Node</h4> <p></p>
</div> <div>
<div class="modal-body"> <iframe id="add_node_ketcher" src="{% static '/js/ketcher2/ketcher.html' %}" width="100%"
<form height="510"></iframe>
id="add_pathway_node_modal_form" </div>
accept-charset="UTF-8" <p></p>
action="{% url 'package pathway node list' meta.current_package.uuid pathway.uuid %}" </form>
data-remote="true" </div>
method="post" <div class="modal-footer">
> <button type="button" class="btn btn-secondary pull-left" data-dismiss="modal">Close
{% csrf_token %} </button>
<label for="node-name">Name</label> <button type="button" class="btn btn-primary" id="add_pathway_node_modal_form_submit">Submit</button>
<input </div>
id="node-name" </div>
class="form-control"
name="node-name"
placeholder="Name"
/>
<label for="node-description">Description</label>
<input
id="node-description"
class="form-control"
name="node-description"
placeholder="Description"
/>
<label for="node-smiles">SMILES</label>
<input
type="text"
class="form-control"
name="node-smiles"
placeholder="SMILES"
id="node-smiles"
/>
<p></p>
<div>
<iframe
id="add_node_ketcher"
src="{% static '/js/ketcher2/ketcher.html' %}"
width="100%"
height="510"
></iframe>
</div>
<p></p>
</form>
</div>
<div class="modal-footer">
<button
type="button"
class="btn btn-secondary pull-left"
data-dismiss="modal"
>
Close
</button>
<button
type="button"
class="btn btn-primary"
id="add_pathway_node_modal_form_submit"
>
Submit
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
function newStructureModalketcherToNewStructureModalTextInput() {
$("#node-smiles").val(this.ketcher.getSmiles());
}
$(function () { function newStructureModalketcherToNewStructureModalTextInput() {
$("#add_node_ketcher").on("load", function () { $('#node-smiles').val(this.ketcher.getSmiles());
const checkKetcherReady = () => { }
win = this.contentWindow;
if (win.ketcher && "editor" in win.ketcher) {
win.ketcher.editor.event.change.handlers.push({
once: false,
priority: 0,
f: newStructureModalketcherToNewStructureModalTextInput,
ketcher: win.ketcher,
});
} else {
setTimeout(checkKetcherReady, 100);
}
};
checkKetcherReady(); $(function() {
$('#add_node_ketcher').on('load', function() {
const checkKetcherReady = () => {
win = this.contentWindow
if (win.ketcher && 'editor' in win.ketcher) {
win.ketcher.editor.event.change.handlers.push({
once: false,
priority: 0,
f: newStructureModalketcherToNewStructureModalTextInput,
ketcher: win.ketcher
});
} else {
setTimeout(checkKetcherReady, 100);
}
};
checkKetcherReady();
})
$(function() {
$('#add_pathway_node_modal_form_submit').on('click', function(e) {
e.preventDefault();
$(this).prop("disabled",true);
// submit form
$('#add_pathway_node_modal_form').submit();
});
}); });
$(function () { });
$("#add_pathway_node_modal_form_submit").on("click", function (e) {
e.preventDefault();
$(this).prop("disabled", true);
// submit form
$("#add_pathway_node_modal_form").submit();
});
});
});
</script> </script>

View File

@ -1,119 +1,78 @@
{% load static %} {% load static %}
<div <div class="modal fade bs-modal-lg" id="add_structure_modal" tabindex="-1" aria-labelledby="add_structure_modal" aria-modal="true"
class="modal fade bs-modal-lg" role="dialog">
id="add_structure_modal" <div class="modal-dialog modal-lg">
tabindex="-1" <div class="modal-content">
aria-labelledby="add_structure_modal" <div class="modal-header">
aria-modal="true" <button type="button" class="close" data-dismiss="modal" aria-label="Close">
role="dialog" <span aria-hidden="true">×</span>
> </button>
<div class="modal-dialog modal-lg"> <h4 class="modal-title">Create a new Structure</h4>
<div class="modal-content"> </div>
<div class="modal-header"> <div class="modal-body">
<button <form id="add_structure_modal_form" accept-charset="UTF-8" action="{% url 'package compound structure list' meta.current_package.uuid compound.uuid %}" data-remote="true" method="post">
type="button" {% csrf_token %}
class="close" <label for="structure-name">Name</label>
data-dismiss="modal" <input id="structure-name" class="form-control" name="structure-name" placeholder="Name"/>
aria-label="Close" <label for="structure-description">Description</label>
> <input id="structure-description" class="form-control" name="structure-description" placeholder="Description"/>
<span aria-hidden="true">×</span> <label for="structure-smiles">SMILES</label>
</button> <input type="text" class="form-control" name="structure-smiles" placeholder="SMILES" id="structure-smiles">
<h4 class="modal-title">Create a new Structure</h4> <p></p>
</div> <div>
<div class="modal-body"> <iframe id="add_structure_ketcher" src="{% static '/js/ketcher2/ketcher.html' %}" width="100%"
<form height="510"></iframe>
id="add_structure_modal_form" </div>
accept-charset="UTF-8" <p></p>
action="{% url 'package compound structure list' meta.current_package.uuid compound.uuid %}" </form>
data-remote="true" </div>
method="post" <div class="modal-footer">
> <button type="button" class="btn btn-secondary pull-left" data-dismiss="modal">Close
{% csrf_token %} </button>
<label for="structure-name">Name</label> <button type="button" class="btn btn-primary" id="add_structure_modal_form_submit">Submit</button>
<input </div>
id="structure-name" </div>
class="form-control"
name="structure-name"
placeholder="Name"
/>
<label for="structure-description">Description</label>
<input
id="structure-description"
class="form-control"
name="structure-description"
placeholder="Description"
/>
<label for="structure-smiles">SMILES</label>
<input
type="text"
class="form-control"
name="structure-smiles"
placeholder="SMILES"
id="structure-smiles"
/>
<p></p>
<div>
<iframe
id="add_structure_ketcher"
src="{% static '/js/ketcher2/ketcher.html' %}"
width="100%"
height="510"
></iframe>
</div>
<p></p>
</form>
</div>
<div class="modal-footer">
<button
type="button"
class="btn btn-secondary pull-left"
data-dismiss="modal"
>
Close
</button>
<button
type="button"
class="btn btn-primary"
id="add_structure_modal_form_submit"
>
Submit
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
function newStructureModalketcherToNewStructureModalTextInput() {
$("#structure-smiles").val(this.ketcher.getSmiles());
}
$(function () { function newStructureModalketcherToNewStructureModalTextInput() {
$("#add_structure_ketcher").on("load", function () { $('#structure-smiles').val(this.ketcher.getSmiles());
const checkKetcherReady = () => { }
win = this.contentWindow;
if (win.ketcher && "editor" in win.ketcher) {
win.ketcher.editor.event.change.handlers.push({
once: false,
priority: 0,
f: newStructureModalketcherToNewStructureModalTextInput,
ketcher: win.ketcher,
});
} else {
setTimeout(checkKetcherReady, 100);
}
};
checkKetcherReady(); $(function() {
$('#add_structure_ketcher').on('load', function() {
const checkKetcherReady = () => {
win = this.contentWindow
if (win.ketcher && 'editor' in win.ketcher) {
win.ketcher.editor.event.change.handlers.push({
once: false,
priority: 0,
f: newStructureModalketcherToNewStructureModalTextInput,
ketcher: win.ketcher
});
} else {
setTimeout(checkKetcherReady, 100);
}
};
checkKetcherReady();
})
$(function() {
$('#add_structure_modal_form_submit').on('click', function(e) {
e.preventDefault();
$(this).prop("disabled",true);
// submit form
$('#add_structure_modal_form').submit();
});
}); });
$(function () { });
$("#add_structure_modal_form_submit").on("click", function (e) {
e.preventDefault();
$(this).prop("disabled", true);
// submit form
$("#add_structure_modal_form").submit();
});
});
});
</script> </script>

View File

@ -1,89 +1,65 @@
{% load static %} {% load static %}
<!-- Delete Edge --> <!-- Delete Edge -->
<div id="delete_pathway_edge_modal" class="modal" tabindex="-1"> <div id="delete_pathway_edge_modal" class="modal" tabindex="-1">
<div class="modal-dialog"> <div class="modal-dialog">
<div class="modal-content"> <div class="modal-content">
<div class="modal-header"> <div class="modal-header">
<h3 class="modal-title">Delete Edge</h3> <h3 class="modal-title">Delete Edge</h3>
<button <button type="button" class="close" data-dismiss="modal" aria-label="Close">
type="button" <span aria-hidden="true">&times;</span>
class="close" </button>
data-dismiss="modal" </div>
aria-label="Close" <div class="modal-body">
> Deletes the Edge. Nodes referenced by this edge will remain.
<span aria-hidden="true">&times;</span> <p></p>
</button> <form id="delete-pathway-edge-modal-form" accept-charset="UTF-8" action="" data-remote="true"
</div> method="post">
<div class="modal-body"> {% csrf_token %}
Deletes the Edge. Nodes referenced by this edge will remain. <select id="delete_pathway_edge_edges" name="edge-url"
<p></p> data-actions-box='true' class="form-control" data-width='100%'>
<form <option value="" disabled selected>Select Reaction to delete</option>
id="delete-pathway-edge-modal-form" {% for e in pathway.edges %}
accept-charset="UTF-8" <option value="{{ e.url }}">{{ e.edge_label.name }}</option>
action="" {% endfor %}
data-remote="true" </select>
method="post" <input type="hidden" id="hidden" name="hidden" value="delete"/>
> </form>
{% csrf_token %} <p></p>
<select <div id="delete_pathway_edge_image"></div>
id="delete_pathway_edge_edges" </div>
name="edge-url" <div class="modal-footer">
data-actions-box="true" <button type="button" class="btn btn-secondary" data-dismiss="modal">Close</button>
class="form-control" <button type="button" class="btn btn-primary" id="delete-pathway-edge-modal-submit">Delete</button>
data-width="100%" </div>
> </div>
<option value="" disabled selected>
Select Reaction to delete
</option>
{% for e in pathway.edges %}
<option value="{{ e.url }}">{{ e.edge_label.name|safe }}</option>
{% endfor %}
</select>
<input type="hidden" id="hidden" name="hidden" value="delete" />
</form>
<p></p>
<div id="delete_pathway_edge_image"></div>
</div>
<div class="modal-footer">
<button type="button" class="btn btn-secondary" data-dismiss="modal">
Close
</button>
<button
type="button"
class="btn btn-primary"
id="delete-pathway-edge-modal-submit"
>
Delete
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function () {
$("#delete_pathway_edge_edges").selectpicker(); $("#delete_pathway_edge_edges").selectpicker();
$("#delete_pathway_edge_edges").on("change", function (e) { $("#delete_pathway_edge_edges").on('change', function (e) {
edge_url = $("#delete_pathway_edge_edges option:selected").val(); edge_url = $('#delete_pathway_edge_edges option:selected').val()
if (edge_url !== "") { if (edge_url !== "") {
$("#delete_pathway_edge_image").empty(); $('#delete_pathway_edge_image').empty();
$("#delete_pathway_edge_image").append( $('#delete_pathway_edge_image').append(
"<img width='100%' src='" + edge_url + "?image=svg'>", "<img width='100%' src='" + edge_url + "?image=svg'>"
); );
} }
}); })
$("#delete-pathway-edge-modal-submit").click(function (e) { $('#delete-pathway-edge-modal-submit').click(function (e) {
e.preventDefault(); e.preventDefault();
edge_url = $("#delete_pathway_edge_edges option:selected").val(); edge_url = $('#delete_pathway_edge_edges option:selected').val()
if (edge_url === "") { if (edge_url === "") {
return; return;
} }
$("#delete-pathway-edge-modal-form").attr("action", edge_url); $('#delete-pathway-edge-modal-form').attr('action', edge_url)
$("#delete-pathway-edge-modal-form").submit(); $('#delete-pathway-edge-modal-form').submit();
}); });
});
})
</script> </script>

View File

@ -1,93 +1,65 @@
{% load static %} {% load static %}
<!-- Delete Node --> <!-- Delete Node -->
<div id="delete_pathway_node_modal" class="modal" tabindex="-1"> <div id="delete_pathway_node_modal" class="modal" tabindex="-1">
<div class="modal-dialog"> <div class="modal-dialog">
<div class="modal-content"> <div class="modal-content">
<div class="modal-header"> <div class="modal-header">
<h3 class="modal-title">Delete Node</h3> <h3 class="modal-title">Delete Node</h3>
<button <button type="button" class="close" data-dismiss="modal" aria-label="Close">
type="button" <span aria-hidden="true">&times;</span>
class="close" </button>
data-dismiss="modal" </div>
aria-label="Close" <div class="modal-body">
> Deletes the Node. Edges having this Node as Substrate or Product will be removed as well.
<span aria-hidden="true">&times;</span> <p></p>
</button> <form id="delete-pathway-node-modal-form" accept-charset="UTF-8" action="" data-remote="true"
</div> method="post">
<div class="modal-body"> {% csrf_token %}
Deletes the Node. Edges having this Node as Substrate or Product will be <select id="delete_pathway_node_nodes" name="node-url"
removed as well. data-actions-box='true' class="form-control" data-width='100%'>
<p></p> <option value="" disabled selected>Select Compound to delete</option>
<form {% for n in pathway.nodes %}
id="delete-pathway-node-modal-form" <option value="{{ n.url }}">{{ n.default_node_label.name }}</option>
accept-charset="UTF-8" {% endfor %}
action="" </select>
data-remote="true" <input type="hidden" id="hidden" name="hidden" value="delete"/>
method="post" </form>
> <p></p>
{% csrf_token %} <div id="delete_pathway_node_image"></div>
<select </div>
id="delete_pathway_node_nodes" <div class="modal-footer">
name="node-url" <button type="button" class="btn btn-secondary" data-dismiss="modal">Close</button>
data-actions-box="true" <button type="button" class="btn btn-primary" id="delete-pathway-node-modal-submit">Delete</button>
class="form-control" </div>
data-width="100%" </div>
>
<option value="" disabled selected>
Select Compound to delete
</option>
{% for n in pathway.nodes %}
<option value="{{ n.url }}">
{{ n.default_node_label.name|safe }}
</option>
{% endfor %}
</select>
<input type="hidden" id="hidden" name="hidden" value="delete" />
</form>
<p></p>
<div id="delete_pathway_node_image"></div>
</div>
<div class="modal-footer">
<button type="button" class="btn btn-secondary" data-dismiss="modal">
Close
</button>
<button
type="button"
class="btn btn-primary"
id="delete-pathway-node-modal-submit"
>
Delete
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function () {
$("#delete_pathway_node_nodes").selectpicker(); $("#delete_pathway_node_nodes").selectpicker();
$("#delete_pathway_node_nodes").on("change", function (e) { $("#delete_pathway_node_nodes").on('change', function (e) {
node_url = $("#delete_pathway_node_nodes option:selected").val(); node_url = $('#delete_pathway_node_nodes option:selected').val()
if (node_url !== "") { if (node_url !== "") {
$("#delete_pathway_node_image").empty(); $('#delete_pathway_node_image').empty();
$("#delete_pathway_node_image").append( $('#delete_pathway_node_image').append(
"<img width='100%' src='" + node_url + "?image=svg'>", "<img width='100%' src='" + node_url + "?image=svg'>"
); );
} }
}); })
$("#delete-pathway-node-modal-submit").click(function (e) { $('#delete-pathway-node-modal-submit').click(function (e) {
e.preventDefault(); e.preventDefault();
node_url = $("#delete_pathway_node_nodes option:selected").val(); node_url = $('#delete_pathway_node_nodes option:selected').val()
if (node_url === "") { if (node_url === "") {
return; return;
} }
$("#delete-pathway-node-modal-form").attr("action", node_url); $('#delete-pathway-node-modal-form').attr('action', node_url)
$("#delete-pathway-node-modal-form").submit(); $('#delete-pathway-node-modal-form').submit();
}); });
});
})
</script> </script>

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@ -1,53 +1,36 @@
{% load static %} {% load static %}
<!-- Download Pathway --> <!-- Download Pathway -->
<div id="download_pathway_csv_modal" class="modal" tabindex="-1"> <div id="download_pathway_csv_modal" class="modal" tabindex="-1">
<div class="modal-dialog"> <div class="modal-dialog">
<div class="modal-content"> <div class="modal-content">
<div class="modal-header"> <div class="modal-header">
<h3 class="modal-title">Download Pathway as CSV</h3> <h3 class="modal-title">Download Pathway as CSV</h3>
<button <button type="button" class="close" data-dismiss="modal" aria-label="Close">
type="button" <span aria-hidden="true">&times;</span>
class="close" </button>
data-dismiss="modal" </div>
aria-label="Close" <div class="modal-body">
> By clicking on Download the Pathway will be converted into a CSV and directly downloaded.
<span aria-hidden="true">&times;</span> <form id="download-pathway-csv-modal-form" accept-charset="UTF-8" action="{{ pathway.url }}"
</button> data-remote="true" method="GET">
</div> <input type="hidden" name="download" value="true"/>
<div class="modal-body"> </form>
By clicking on Download the Pathway will be converted into a CSV and </div>
directly downloaded. <div class="modal-footer">
<form <button type="button" class="btn btn-secondary" data-dismiss="modal">Close</button>
id="download-pathway-csv-modal-form" <button type="button" class="btn btn-primary" id="download-pathway-csv-modal-submit">Download</button>
accept-charset="UTF-8" </div>
action="{{ pathway.url }}" </div>
data-remote="true"
method="GET"
>
<input type="hidden" name="download" value="true" />
</form>
</div>
<div class="modal-footer">
<button type="button" class="btn btn-secondary" data-dismiss="modal">
Close
</button>
<button
type="button"
class="btn btn-primary"
id="download-pathway-csv-modal-submit"
>
Download
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function () {
$("#download-pathway-csv-modal-submit").click(function (e) {
e.preventDefault(); $('#download-pathway-csv-modal-submit').click(function (e) {
$("#download-pathway-csv-modal-form").submit(); e.preventDefault();
$("#download_pathway_csv_modal").modal("hide"); $('#download-pathway-csv-modal-form').submit();
}); $('#download_pathway_csv_modal').modal('hide');
}); });
})
</script> </script>

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@ -1,43 +1,32 @@
{% load static %} {% load static %}
<!-- Download Pathway --> <!-- Download Pathway -->
<div id="download_pathway_image_modal" class="modal" tabindex="-1"> <div id="download_pathway_image_modal" class="modal" tabindex="-1">
<div class="modal-dialog"> <div class="modal-dialog">
<div class="modal-content"> <div class="modal-content">
<div class="modal-header"> <div class="modal-header">
<h3 class="modal-title">Download Pathway as Image</h3> <h3 class="modal-title">Download Pathway as Image</h3>
<button <button type="button" class="close" data-dismiss="modal" aria-label="Close">
type="button" <span aria-hidden="true">&times;</span>
class="close" </button>
data-dismiss="modal" </div>
aria-label="Close" <div class="modal-body">
> By clicking on Download the Pathway will be saved as SVG.
<span aria-hidden="true">&times;</span> </div>
</button> <div class="modal-footer">
</div> <button type="button" class="btn btn-secondary" data-dismiss="modal">Close</button>
<div class="modal-body"> <button type="button" class="btn btn-primary" id="download-pathway-image-modal-submit">Download</button>
By clicking on Download the Pathway will be saved as SVG. </div>
</div> </div>
<div class="modal-footer">
<button type="button" class="btn btn-secondary" data-dismiss="modal">
Close
</button>
<button
type="button"
class="btn btn-primary"
id="download-pathway-image-modal-submit"
>
Download
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function () {
$("#download-pathway-image-modal-submit").click(function (e) {
e.preventDefault(); $('#download-pathway-image-modal-submit').click(function (e) {
downloadSVG($("#pwsvg")[0], '{{ pathway.name.split|join:"_" }}.svg'); e.preventDefault();
$("#download_pathway_image_modal").modal("hide"); downloadSVG($('#pwsvg')[0], '{{ pathway.name.split|join:"_" }}.svg')
}); $('#download_pathway_image_modal').modal('hide');
}); });
})
</script> </script>

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@ -1,70 +1,46 @@
{% load static %} {% load static %}
<!-- Edit Compound --> <!-- Edit Compound -->
<div id="edit_compound_modal" class="modal" tabindex="-1"> <div id="edit_compound_modal" class="modal" tabindex="-1">
<div class="modal-dialog"> <div class="modal-dialog">
<div class="modal-content"> <div class="modal-content">
<div class="modal-header"> <div class="modal-header">
<h5 class="modal-title">Edit Compound</h5> <h5 class="modal-title">Edit Compound</h5>
<button <button type="button" class="close" data-dismiss="modal" aria-label="Close">
type="button" <span aria-hidden="true">&times;</span>
class="close" </button>
data-dismiss="modal" </div>
aria-label="Close" <div class="modal-body">
> <p>Edit Compound.</p>
<span aria-hidden="true">&times;</span> <form id="edit-compound-modal-form" accept-charset="UTF-8" action="" data-remote="true" method="post">
</button> {% csrf_token %}
</div> <p>
<div class="modal-body"> <label for="compound-name">Name</label>
<p>Edit Compound.</p> <input id="compound-name" class="form-control" name="compound-name" value="{{ compound.name}}">
<form </p>
id="edit-compound-modal-form" <p>
accept-charset="UTF-8" <label for="compound-description">Description</label>
action="" <input id="compound-description" type="text" class="form-control"
data-remote="true" value="{{ compound.description }}"
method="post" name="compound-description">
> </p>
{% csrf_token %} </form>
<p> </div>
<label for="compound-name">Name</label> <div class="modal-footer">
<input <button type="button" class="btn btn-secondary" data-dismiss="modal">Close</button>
id="compound-name" <button type="button" class="btn btn-primary" id="edit-compound-modal-submit">Update</button>
class="form-control" </div>
name="compound-name" </div>
value="{{ compound.name|safe }}"
/>
</p>
<p>
<label for="compound-description">Description</label>
<input
id="compound-description"
type="text"
class="form-control"
value="{{ compound.description|safe }}"
name="compound-description"
/>
</p>
</form>
</div>
<div class="modal-footer">
<button type="button" class="btn btn-secondary" data-dismiss="modal">
Close
</button>
<button
type="button"
class="btn btn-primary"
id="edit-compound-modal-submit"
>
Update
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function() {
$("#edit-compound-modal-submit").click(function (e) {
e.preventDefault(); $('#edit-compound-modal-submit').click(function(e){
$("#edit-compound-modal-form").submit(); e.preventDefault();
$('#edit-compound-modal-form').submit();
}); });
});
</script> });
</script>

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@ -1,70 +1,45 @@
{% load static %} {% load static %}
<!-- Edit Compound --> <!-- Edit Compound -->
<div id="edit_compound_structure_modal" class="modal" tabindex="-1"> <div id="edit_compound_structure_modal" class="modal" tabindex="-1">
<div class="modal-dialog"> <div class="modal-dialog">
<div class="modal-content"> <div class="modal-content">
<div class="modal-header"> <div class="modal-header">
<h5 class="modal-title">Create a Compound</h5> <h5 class="modal-title">Create a Compound</h5>
<button <button type="button" class="close" data-dismiss="modal" aria-label="Close">
type="button" <span aria-hidden="true">&times;</span>
class="close" </button>
data-dismiss="modal" </div>
aria-label="Close" <div class="modal-body">
> <p>Edit a Compound Structure.</p>
<span aria-hidden="true">&times;</span> <form id="edit-compound-structure-modal-form" accept-charset="UTF-8" action="" data-remote="true" method="post">
</button> {% csrf_token %}
</div> <p>
<div class="modal-body"> <label for="compound-structure-name">Name</label>
<p>Edit a Compound Structure.</p> <input id="compound-structure-name" class="form-control" name="compound-structure-name" value="{{ compound_structure.name }}">
<form </p>
id="edit-compound-structure-modal-form" <p>
accept-charset="UTF-8" <label for="compound-structure-description">Description</label>
action="" <input id="compound-structure-description" type="text" class="form-control"
data-remote="true" value="{{ compound_structure.description }}" name="compound-structure-description">
method="post" </p>
> </form>
{% csrf_token %} </div>
<p> <div class="modal-footer">
<label for="compound-structure-name">Name</label> <button type="button" class="btn btn-secondary" data-dismiss="modal">Close</button>
<input <button type="button" class="btn btn-primary" id="edit-compound-structure-modal-submit">Create</button>
id="compound-structure-name" </div>
class="form-control" </div>
name="compound-structure-name"
value="{{ compound_structure.name|safe }}"
/>
</p>
<p>
<label for="compound-structure-description">Description</label>
<input
id="compound-structure-description"
type="text"
class="form-control"
value="{{ compound_structure.description|safe }}"
name="compound-structure-description"
/>
</p>
</form>
</div>
<div class="modal-footer">
<button type="button" class="btn btn-secondary" data-dismiss="modal">
Close
</button>
<button
type="button"
class="btn btn-primary"
id="edit-compound-structure-modal-submit"
>
Create
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function() {
$("#edit-compound-structure-modal-submit").click(function (e) {
e.preventDefault(); $('#edit-compound-structure-modal-submit').click(function(e){
$("#edit-compound-structure-modal-form").submit(); e.preventDefault();
$('#edit-compound-structure-modal-form').submit();
}); });
});
});
</script> </script>

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@ -1,151 +1,120 @@
{% load static %} {% load static %}
<!-- Edit Package Permission --> <!-- Edit Package Permission -->
<div id="edit_group_member_modal" class="modal" tabindex="-1"> <div id="edit_group_member_modal" class="modal" tabindex="-1">
<div class="modal-dialog"> <div class="modal-dialog">
<div class="modal-content"> <div class="modal-content">
<div class="modal-header"> <div class="modal-header">
<h5 class="modal-title">Add or Remove Group Member</h5> <h5 class="modal-title">Add or Remove Group Member</h5>
<button <button type="button" class="close" data-dismiss="modal" aria-label="Close">
type="button" <span aria-hidden="true">&times;</span>
class="close"
data-dismiss="modal"
aria-label="Close"
>
<span aria-hidden="true">&times;</span>
</button>
</div>
<div class="modal-body">
<p>
To add member (either User or entire Groups) to this group select the
entity you want to add below and click the check mark.
<br />
To remove member simply click the <code>X</code> next to the member.
</p>
<div class="row">
<div class="col-xs-8">
<legend>User or Group</legend>
</div>
<div class="col-xs-4">
<legend>Add/Remove</legend>
</div>
</div>
<div class="row">
<form
id="modal-form-group-member"
class="form-inline"
role="form"
accept-charset="UTF-8"
action=""
data-remote="true"
method="post"
>
{% csrf_token %}
<div class="col-xs-8">
<select
id="select_member"
name="member"
data-actions-box="true"
class="selPackages"
data-width="100%"
>
<option disabled selected>User</option>
{% for u in users %}
<option value="{{ u.url }}">{{ u.username }}</option>
{% endfor %}
<option disabled>Groups</option>
{% for g in groups %}
<option value="{{ g.url }}">{{ g.name|safe }}</option>
{% endfor %}
</select>
<input type="hidden" name="action" value="add" />
</div>
<div class="col-xs-2"></div>
<div class="col-xs-2">
<button type="submit" style="width:60%;" class="btn col-xs-2">
<span class="glyphicon glyphicon-ok"></span>
</button>
</div>
</form>
</div>
<p></p>
{% for u in group.user_member.all %}
<div class="row">
<form
id="modal-form-group-member_{{ u.uuid }}"
class="form-inline"
role="form"
accept-charset="UTF-8"
action=""
data-remote="true"
method="post"
>
{% csrf_token %}
<div class="col-xs-8">
{{ u.username }}
<input type="hidden" name="member" value="{{ u.url }}" />
<input type="hidden" name="action" value="remove" />
</div>
<div class="col-xs-2"></div>
<div class="col-xs-2">
<button type="submit" style="width:60%;" class="btn col-xs-2">
<span class="glyphicon glyphicon-trash"></span>
</button> </button>
</div> </div>
</form> <div class="modal-body">
</div> <p>
{% endfor %} To add member (either User or entire Groups) to this group select the entity you want to add below
<p></p> and click the check mark.
{% for g in group.group_member.all %} <br>
<div class="row"> To remove member simply click the <code>X</code> next to the member.
<form </p>
id="modal-form-group-member_{{ g.uuid }}"
class="form-inline" <div class="row">
role="form" <div class="col-xs-8">
accept-charset="UTF-8" <legend>User or Group</legend>
action="" </div>
data-remote="true" <div class="col-xs-4">
method="post" <legend>Add/Remove</legend>
> </div>
{% csrf_token %} </div>
<div class="col-xs-8">
{{ g.name|safe }} <div class="row">
<input type="hidden" name="member" value="{{ g.url }}" /> <form id="modal-form-group-member" class="form-inline" role="form" accept-charset="UTF-8" action=""
<input type="hidden" name="action" value="remove" /> data-remote="true" method="post">
</div> {% csrf_token %}
<div class="col-xs-2"></div> <div class="col-xs-8">
<div class="col-xs-2"> <select id="select_member" name="member" data-actions-box='true'
<button type="submit" style="width:60%;" class="btn col-xs-2"> class="selPackages" data-width='100%'>
<span class="glyphicon glyphicon-trash"></span> <option disabled selected>User</option>
</button> {% for u in users %}
</div> <option value="{{ u.url }}">{{ u.username }}</option>
</form> {% endfor %}
</div> <option disabled>Groups</option>
{% endfor %} {% for g in groups %}
</div> <option value="{{ g.url }}">{{ g.name }}</option>
<div class="modal-footer"> {% endfor %}
<button type="button" class="btn btn-secondary" data-dismiss="modal"> </select>
Close <input type="hidden" name="action" value="add">
</button> </div>
<button <div class="col-xs-2">
type="button" </div>
class="btn btn-primary" <div class="col-xs-2">
id="edit-package-modal-submit" <button type="submit" style="width:60%;" class="btn col-xs-2">
> <span class="glyphicon glyphicon-ok"></span>
Update </button>
</button> </div>
</div> </form>
</div>
<p></p>
{% for u in group.user_member.all %}
<div class="row">
<form id="modal-form-group-member_{{ u.uuid }}" class="form-inline" role="form"
accept-charset="UTF-8" action="" data-remote="true" method="post">
{% csrf_token %}
<div class="col-xs-8">
{{ u.username }}
<input type="hidden" name="member" value="{{ u.url }}"/>
<input type="hidden" name="action" value="remove">
</div>
<div class="col-xs-2">
</div>
<div class="col-xs-2">
<button type="submit" style="width:60%;" class="btn col-xs-2">
<span class="glyphicon glyphicon-trash"></span>
</button>
</div>
</form>
</div>
{% endfor %}
<p></p>
{% for g in group.group_member.all %}
<div class="row">
<form id="modal-form-group-member_{{ g.uuid }}" class="form-inline" role="form"
accept-charset="UTF-8" action="" data-remote="true" method="post">
{% csrf_token %}
<div class="col-xs-8">
{{ g.name }}
<input type="hidden" name="member" value="{{ g.url }}"/>
<input type="hidden" name="action" value="remove">
</div>
<div class="col-xs-2">
</div>
<div class="col-xs-2">
<button type="submit" style="width:60%;" class="btn col-xs-2">
<span class="glyphicon glyphicon-trash"></span>
</button>
</div>
</form>
</div>
{% endfor %}
</div>
<div class="modal-footer">
<button type="button" class="btn btn-secondary" data-dismiss="modal">Close</button>
<button type="button" class="btn btn-primary" id="edit-package-modal-submit">Update</button>
</div>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () {
$("#edit-package-modal-submit").click(function (e) {
e.preventDefault(); $(function() {
$("#edit-package-modal-form").submit();
$('#edit-package-modal-submit').click(function(e){
e.preventDefault();
$('#edit-package-modal-form').submit();
}); });
$("#select_member").selectpicker(); $("#select_member").selectpicker();
});
})
</script> </script>

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@ -1,71 +1,44 @@
{% load static %} {% load static %}
<!-- Edit Model --> <!-- Edit Model -->
<div id="edit_model_modal" class="modal" tabindex="-1"> <div id="edit_model_modal" class="modal" tabindex="-1">
<div class="modal-dialog"> <div class="modal-dialog">
<div class="modal-content"> <div class="modal-content">
<div class="modal-header"> <div class="modal-header">
<button <button type="button" class="close" data-dismiss="modal" aria-label="Close">
type="button" <span aria-hidden="true">&times;</span>
class="close" </button>
data-dismiss="modal" <h3 class="modal-title">Update Model</h3>
aria-label="Close" </div>
> <div class="modal-body">
<span aria-hidden="true">&times;</span> <p>Alter Name and Description of the Model.</p>
</button> <form id="edit-model-modal-form" accept-charset="UTF-8" action="" data-remote="true" method="post">
<h3 class="modal-title">Update Model</h3> {% csrf_token %}
</div> <p>
<div class="modal-body"> <label for="model-name">Name</label>
<p>Alter Name and Description of the Model.</p> <input id="model-name" type="text" class="form-control" name="model-name"
<form value="{{ model.name }}">
id="edit-model-modal-form" </p>
accept-charset="UTF-8" <p>
action="" <label for="model-description">Description</label>
data-remote="true" <input id="model-description" type="text" class="form-control" name="model-description"
method="post" value="{{ model.description }}">
> </p>
{% csrf_token %} </form>
<p> </div>
<label for="model-name">Name</label> <div class="modal-footer">
<input <button type="button" class="btn btn-secondary" data-dismiss="modal">Close</button>
id="model-name" <button type="button" class="btn btn-primary" id="edit-model-modal-submit">Update</button>
type="text" </div>
class="form-control" </div>
name="model-name"
value="{{ model.name|safe }}"
/>
</p>
<p>
<label for="model-description">Description</label>
<input
id="model-description"
type="text"
class="form-control"
name="model-description"
value="{{ model.description|safe }}"
/>
</p>
</form>
</div>
<div class="modal-footer">
<button type="button" class="btn btn-secondary" data-dismiss="modal">
Close
</button>
<button
type="button"
class="btn btn-primary"
id="edit-model-modal-submit"
>
Update
</button>
</div>
</div> </div>
</div>
</div> </div>
<script> <script>
$(function () { $(function () {
$("#edit-model-modal-submit").click(function (e) {
e.preventDefault(); $('#edit-model-modal-submit').click(function (e) {
$("#edit-model-modal-form").submit(); e.preventDefault();
}); $('#edit-model-modal-form').submit();
}); });
})
</script> </script>

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