adjusted migration
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Initial bayer app

Show Pack Classification

Adjusted docker compose to bayer specifics

Adjusted Dockerfile for Bayer

Adding secret flags to group, add secret pools to packages

Adjusted View for Package creation

Prep configs, added Package Create Modal

wip

More on PES

wip

wip

Wip

minor

PW interactions

API PES

wip

Make Select Widget reflect required

make required generallay available

Update UI if pathway mode is set to build

Added ais

circle adjustments

Initial Zoom, fix AD Creation

wip

auth log, bb4g fix

missing import

Added viz hint if PES is part of reaction

Add Edge check for pes

flip boolean

...

pes

Added extra

...

In / Out Edges Viz, Submitting Button Text

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Make PES Link clickable

Return proper http response instead of error

Fixed error return, removed unused options

Fix PES Link HTML for other entities

Fixed molfile assignment, adjusted Export

Package Export/Import cycle

highlight Description links

implemented non persistent

Harmonised proposed field in Json output

Added pesLink field to PW Api output

PES Fields in API Output

removed debug

Fix Classification import, Fix PES Deserialization

underline pes link in templates

Fix alter name/desc for node, make /node /edge funcitonal

provide setting link and copy button

Implemented Compound Names / Reaction Names View Option

Unconnected Nodes

Make links thicker, reduce timeout trigger time

Show proposed info in popover

Pathway Build no stereo removal

Include probs in reaction name option viz

Detect clicks outside nodes/edges

Provide proper Error Pages

View Package Perm

wip

sync

Auth log

auth log leftovers

...

secret packs viz

auth log for api

model stats

Fix Package Adjustment

Adjust Group Auth Log

Fix Secret image size in Navbar

leftover

...

minor
This commit is contained in:
Tim Lorsbach
2026-03-06 15:15:08 +01:00
parent 7632b3a029
commit 3b71184631
84 changed files with 1614506 additions and 2927 deletions

213
bayer/views.py Normal file
View File

@ -0,0 +1,213 @@
import base64
import logging
import requests
from django.conf import settings as s
from django.http import HttpResponse, HttpResponseBadRequest, HttpResponseNotAllowed
from django.shortcuts import redirect
from bayer.models import PESCompound
from epdb.logic import PackageManager
from epdb.models import Pathway, Node
from epdb.views import _anonymous_or_real, error
from utilities.decorators import package_permission_required
Package = s.GET_PACKAGE_MODEL()
logger = logging.getLogger(__name__)
@package_permission_required()
def create_pes(request, package_uuid):
current_user = _anonymous_or_real(request)
current_package = PackageManager.get_package_by_id(current_user, package_uuid)
if request.method == "POST":
if current_package.classification_level == Package.Classification.INTERNAL:
return error(
request,
f'Creation of PESs for package {current_package.name} failed!',
"Creating PESs for internal packages is not allowed.",
)
compound_name = request.POST.get('compound-name')
compound_description = request.POST.get('compound-description')
pes_link = request.POST.get('pes-link')
if pes_link:
try:
pes_data = fetch_pes(request, pes_link)
except ValueError as e:
return error(
request,
"Could not fetch PES",
f"Could not fetch PES data for {pes_link}"
)
classification = pes_data.get("classificationLevel", "")
if "secret" == classification.lower():
if current_package.classification_level != Package.Classification.SECRET:
return error(
request,
"Classification Mismatch!",
"Cannot create secret PESs in non-secret packages."
)
if not current_package.data_pool or not current_package.data_pool.secret:
logger.info(f"The current package does not have a secret data pool.")
return error(
request,
"The current package does not have a secret data pool.",
"Cannot create secret PESs in package without a secret data pool."
)
pes = PESCompound.create(current_package, pes_data, compound_name, compound_description)
return redirect(pes.url)
else:
return error(
request,
"No PES link received",
"Please provide a PES link."
)
else:
return HttpResponseNotAllowed(["POST"])
@package_permission_required()
def create_pes_node(request, package_uuid, pathway_uuid):
current_user = _anonymous_or_real(request)
current_package = PackageManager.get_package_by_id(current_user, package_uuid)
current_pathway = Pathway.objects.get(package=current_package, uuid=pathway_uuid)
if request.method == "POST":
if current_package.classification_level == Package.Classification.INTERNAL:
return error(
request,
f'Creation of PESs for package {current_package.name} failed!',
"Creating PESs for internal packages is not allowed.",
)
compound_name = request.POST.get('compound-name')
compound_description = request.POST.get('compound-description')
pes_link = request.POST.get('pes-link')
if pes_link:
try:
pes_data = fetch_pes(request, pes_link)
except ValueError as e:
return error(
request,
"Could not fetch PES",
f"Could not fetch PES data for {pes_link}"
)
classification = pes_data.get("classificationLevel", "")
if "secret" == classification.lower():
if current_package.classification_level != Package.Classification.SECRET:
return error(
request,
"Classification Mismatch!",
"Cannot create secret PESs in non-secret packages."
)
if not current_package.data_pool or not current_package.data_pool.secret:
logger.info(f"The current package does not have a secret data pool.")
return error(
request,
"The current package does not have a secret data pool.",
"Cannot create secret PESs in package without a secret data pool."
)
pes = PESCompound.create(current_package, pes_data, compound_name, compound_description)
node_qs = Node.objects.filter(
pathway=current_pathway,
default_node_label=pes.default_structure
)
if node_qs.exists():
return redirect(current_pathway.url)
n = Node()
n.stereo_removed = False
n.pathway = current_pathway
n.depth = 0
n.default_node_label = pes.default_structure
n.save()
n.node_labels.add(pes.default_structure)
n.save()
return redirect(current_pathway.url)
else:
return error(
request,
"No PES link received",
"Please provide a PES link."
)
else:
return HttpResponseNotAllowed(["POST"])
def fetch_pes(request, pes_url) -> dict:
from epauth.views import get_access_token_from_request
token = get_access_token_from_request(request)
if token is None:
token = pes_url.split('/')[-1] == 'dummy'
if token:
for k, v in s.PES_API_MAPPING.items():
if pes_url.startswith(k):
pes_id = pes_url.split('/')[-1]
if pes_id == 'dummy':
import json
res_data = json.load(open(s.BASE_DIR / "fixtures/pes.json"))
res_data["pes_url"] = pes_url
return res_data
else:
headers = {"Authorization": f"Bearer {token['access_token']}"}
params = {"pes_reg_entity_corporate_id": pes_id}
res = requests.get(v, headers=headers, params=params, proxies=s.PROXIES or None)
try:
res.raise_for_status()
pes_data = res.json()
if len(pes_data) == 0:
raise ValueError(f"PES with id {pes_id} not found")
res_data = pes_data[0]
res_data["pes_url"] = pes_url
return res_data
except requests.exceptions.HTTPError as e:
raise ValueError(f"Error fetching PES with id {pes_id}: {e}")
else:
raise ValueError(f"Unknown URL {pes_url}")
else:
raise ValueError("Could not fetch access token from request.")
def visualize_pes(request):
pes_link = request.GET.get('pesLink')
if pes_link:
pes_data = fetch_pes(request, pes_link)
representations = pes_data.get('representations')
for rep in representations:
if rep.get('type') == 'color':
image_data = base64.b64decode(rep.get('base64').replace("data:image/png;base64,", ""))
return HttpResponse(image_data, content_type="image/png")