diff --git a/epdb/logic.py b/epdb/logic.py index e025de23..ec51f3d3 100644 --- a/epdb/logic.py +++ b/epdb/logic.py @@ -2,6 +2,7 @@ import re import logging import json from typing import Union, List, Optional, Set, Dict, Any +from uuid import UUID from django.contrib.auth import get_user_model from django.db import transaction @@ -326,9 +327,9 @@ class PackageManager(object): return False @staticmethod - def has_package_permission(user: 'User', package: Union[str, 'Package'], permission: str): + def has_package_permission(user: 'User', package: Union[str, UUID, 'Package'], permission: str): - if isinstance(package, str): + if isinstance(package, str) or isinstance(package, UUID): package = Package.objects.get(uuid=package) groups = GroupManager.get_groups(user) diff --git a/epdb/views.py b/epdb/views.py index f56eb769..90f7dccb 100644 --- a/epdb/views.py +++ b/epdb/views.py @@ -6,6 +6,7 @@ from django.conf import settings as s from django.contrib.auth import get_user_model from django.http import JsonResponse, HttpResponse, HttpResponseNotAllowed, HttpResponseBadRequest from django.shortcuts import render, redirect +from django.urls import reverse from django.views.decorators.csrf import csrf_exempt from envipy_additional_information import NAME_MAPPING from oauth2_provider.decorators import protected_resource @@ -81,7 +82,7 @@ def login(request): if next := request.POST.get('next'): return redirect(next) - return redirect(s.SERVER_URL) + return redirect(reverse("index")) else: context['message'] = "Login failed!" return render(request, 'static/login.html', context) diff --git a/fixtures/Fixture_Package.json b/fixtures/Fixture_Package.json new file mode 100644 index 00000000..9a39417e --- /dev/null +++ b/fixtures/Fixture_Package.json @@ -0,0 +1 @@ +{"uuid": "1869d3f0-60bb-41fd-b6f8-afa75ffb09d3", "name": "Fixtures", "description": "", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3", "kv": {}, "scenarios": [], "reviewed": false, 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"[H:10][#8:9]-[c:4]1[c;R1:5][c;R1:6][c:1]([H])[c;R1:7][c;R1:8]1>>[H:10][#8:9]-[c:4]1[c;R1:5][c;R1:6][c:1](-[#8])[c;R1:7][c;R1:8]1", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "412d2e1e-dd6c-4160-ac4d-24bd5f6bb308", "name": "bt0103-3648", "description": "Dithiophosphate diester + Thiophosphate diester + Thiophosphate triester > Thiophosphate diester + Phosphate diester + Phosphate triester", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/412d2e1e-dd6c-4160-ac4d-24bd5f6bb308", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#8:4][P:2]([#8:6])([#8,#16:5])=S>>[#8:6][P:2]([#8:4])([#8,#16:5])=O", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "4aeb53b3-d40a-4acb-a4e7-4fb2c26f2c96", "name": "bt0259-3814", "description": "Monoalkylthiol + disubstituted Sulfide + Thiol alkene + Monoalkylthiophosphate > Aldehyde + H2S + Aldehyde + Sulfide + Alcohol + Aldehyde + Thiophosphate", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/4aeb53b3-d40a-4acb-a4e7-4fb2c26f2c96", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[H][#6:3](-[#1,#6:7])-[#16;v2:1]-[#1,#6,#15:2]>>[#1,#6:7]-[#6:3]=O.[H][#16;v2:1]-[#1,#6,#15:2]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "4e58e4ef-9f13-48c1-ac7e-ccdc527b0df4", "name": "bt0255-2690.4", "description": "vic-Dihydrodihydroxyaromatic > vic-Dihydroxyaromatic", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/4e58e4ef-9f13-48c1-ac7e-ccdc527b0df4", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#6:9]:[#6:10]@-[C:6]([H])([#8:2][H:11])[C:5]([H])(@-[#6:7]:[#6:8])[#8:1][H:12]>>[H:12][#8:1]-[#6:5](-[#6:7]:[#6:8])=[#6:6](-[#8:2][H:11])-[#6:10]:[#6:9]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "5c001cb6-114b-4835-b8a8-84a9d18fb769", "name": "bt0389-3302", "description": "Phenylcarbamate derivative > Phenol derivative + Amine", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/5c001cb6-114b-4835-b8a8-84a9d18fb769", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#7:3]-[#6](=O)-[#8:2]-[c:1]1[c:6][c:7][c:8][c:9][c:10]1>>[#8:2]-[c:1]1[c:10][c:9][c:8][c:7][c:6]1.[#7:3]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "5e787976-dfca-48f8-b1f7-3691f3f70948", "name": "bt0073-3591", "description": "2-unsubstituted Cyclic ether > 2-Hydroxy cyclic ether", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/5e787976-dfca-48f8-b1f7-3691f3f70948", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#6:5]-[#6:1]([H])([H])@-[#8:4]@-[#6:2]>>[#6:2]@-[#8:4]@-[#6:1]([H])(-[#6:5])-[#8]([H])", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "61ad33ae-748d-4e04-b6df-951b908f2ce1", "name": "bt0104-2854", "description": "Arylphosphotriester + Arylphosphodiester + Arylphosphoester > Phenol derivative + Phosphodiester + Phenol derivative + Phosphoester + Phenol derivative", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/61ad33ae-748d-4e04-b6df-951b908f2ce1", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#8:1][P:4]([#8:6])(=[O:5])[#8:2]-[c:7]:[c:8]>>[#8:2]-[c:7]:[c:8].[#8:1][P:4]([#8:6])([#8])=[O:5]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "66a0ffcc-2a99-4051-9497-efaa38b05e65", "name": "bt0435-4212", "description": "Thiol > RH + H2S", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/66a0ffcc-2a99-4051-9497-efaa38b05e65", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[H:6][C:1]([#6:4])([#16;H1v2])[#1,#6:5]>>[H:6][C:1]([H])([#6:4])[#1,#6:5]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "6bdb093f-73b8-4a16-be03-0c3ed1648246", "name": "bt0061-2451", "description": "N-aliphatic-hydroxy-s-Triazine > hydroxy-s-Triazine", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/6bdb093f-73b8-4a16-be03-0c3ed1648246", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[H:10][#8:9]-[c:4]1[n:5][c:6][n:7][c:2](-[#7:1]-[#6:11])[n:8]1>>[H:10][#8:9]-[c:4]1[n:5][c:6][n:7][c:2](-[#8])[n:8]1.[H][#7:1]-[#6:11]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "828328d0-3629-4198-9c22-99545d34d1c9", "name": "bt0434-4149", "description": "Hemiacetal > Alcohol + Aldehyde", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/828328d0-3629-4198-9c22-99545d34d1c9", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#6:4]-[#8:1]-[#6:3](-[#6:5])-[#8:2]([H])>>[#6:4]-[#8:1].[#6:5]-[#6:3]=[O:2]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "833bb289-f276-4a8e-80fc-eec1ee7a1a41", "name": "bt0260-2032", "description": "disubstituted Disulfide > two Thiols", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/833bb289-f276-4a8e-80fc-eec1ee7a1a41", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#6:3]-[#16:2]-[#16:1]-[#6:4]>>[#6:4]-[#16:1]([H]).[#6:3]-[#16:2]([H])", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "8d8513a5-72c8-46e2-906c-e726e87684e9", "name": "bt0316-4136", "description": "Xanthine derivative > Uric acid derivative", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/8d8513a5-72c8-46e2-906c-e726e87684e9", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[H][c:1]1:[n;X2:2]:[c:8]2[n:12][c:11](=[O:14])[n:10][c:9](=[O:13])[c:7]2[n:4]1>>[H][n:2]1[c:8]2[n:12][c:11](=[O:14])[n:10][c:9](=[O:13])[c:7]2[n:4][c:1]1=O", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "8f6745ba-f4a5-4c63-96c7-4e1a31cd2eb0", "name": "bt0432-4254", "description": "Phosphorofluoridate derivative + Cyanophosphate derivative + Phosphonofluoridate derivative + Thiophosphate derivative > Phosphate derivative + Phosphate derivative + cyanide + Phosphonate derivative + Phosphate derivative + Thiol", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/8f6745ba-f4a5-4c63-96c7-4e1a31cd2eb0", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#6,#7,#8,#16:4][P:2]([#9,#16,#17,#35,#53:1])([#6,#8:5])=[#8,#16:6]>>[#8]([H])[P:2]([#6,#7,#8,#16:5])([#6,#8:4])=[#8,#16:6].[#9,#16,#17,#35,#53:1]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "901c97b4-6f72-4f7b-b9a6-386b1c918c70", "name": "bt0024-2218", "description": "Ester + Lactone > Alcohol + Carboxylate + Hydroxycarboxylate", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/901c97b4-6f72-4f7b-b9a6-386b1c918c70", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#6:2]-[#8:1]-[#6:6](-[#1,#6:3])=[O:7]>>[H][#8]-[#6:2].[#8-:1]-[#6:6](-[#1,#6:3])=[O:7]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "91233f28-7424-461d-980d-0ca90319972c", "name": "bt0241-3580", "description": "tertiary Aliphatic > tertiary Alcohol", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/91233f28-7424-461d-980d-0ca90319972c", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[H:2][C:1]([#6:5])([#6:6])[#6:7]>>[H:2][#8][C:1]([#6:5])([#6:7])[#6:6]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "96269406-6813-4056-bef1-d39ba5c7e9a8", "name": "bt0399-3488", "description": "1-Methylcyclohexene derivative > 1,2-Epoxy-1-Methylcyclohexane derivative", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/96269406-6813-4056-bef1-d39ba5c7e9a8", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#6:8]([H])([H])([H])-[#6:1]-1=[#6:2]([H])-[#6:7]([H])([H])-[#6:6]-[#6:5]([H])([H])-[#6:4]-1>>[#6:8]([H])([H])([H])[C:1]12[#6:4]-[#6:5]([H])([H])-[#6:6]-[#6:7]([H])([H])-[#6:2]([H])1-[#8]2", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "96df26f9-4b90-493d-8e6c-dd3c2ddeef1e", "name": "bt0003-1196", "description": "Aldehyde > Carboxylate", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/96df26f9-4b90-493d-8e6c-dd3c2ddeef1e", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[H][#6:1](-[#6:5])=[O:4]>>[#6:5]-[#6:1](-[#8-])=[O:4]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "a412cc4c-3454-4c44-8e33-a5a31cd47c85", "name": "bt0330-3929", "description": "1-halo or 1-pseudohalo-s-Triazine > 1-hydroxy-s-Triazine", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/a412cc4c-3454-4c44-8e33-a5a31cd47c85", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[H][#7]([H])-[c:1]1[n:6][c:7](-[$([N]-[C]-1-[C]-[C]-1),$(O),$([N]):8])[n:9][c:10](-[$([N]),$(O),$(Cl):11])[n:12]1>>[#8]-[c:1]1[n:6][c:7](-[$([N]-[C]-1-[C]-[C]-1),$(O),$([N]):8])[n:9][c:10](-[$([N]),$(O),$(Cl):11])[n:12]1", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "b0a4ec71-0d9c-4c17-9713-ca190d612b2d", "name": "bt0022-2833", "description": "Dihalomethyl derivative + Halomethyl derivative > 1-Halo-1-methylalcohol derivative + 1-Methylalcohol derivative", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/b0a4ec71-0d9c-4c17-9713-ca190d612b2d", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[H:5][C:1]([#6:6])([#1,#9,#17,#35,#53:4])[#9,#17,#35,#53]>>[H:5][C:1]([#6:6])([#8])[#1,#9,#17,#35,#53:4]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "c33a2f93-402a-441c-834b-0855b7a9ae32", "name": "bt0067-4013", "description": "Lactam + secondary Amide > Aminecarboxylate + Carboxylate + primary Amine", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/c33a2f93-402a-441c-834b-0855b7a9ae32", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[H:5][#7:1](-[#6,#7:7])-[#6:3](-[#1,#6:6])=[O:4]>>[#8-]-[#6:3](-[#1,#6:6])=[O:4].[H:5][#7:1]-[#6,#7:7]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "c80a23d3-3986-49d7-84db-0e0bb92f1ff7", "name": "bt0173-1376", "description": "Stilbene derivative > Aldo/Keto derivative + Aldo/Keto derivative", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/c80a23d3-3986-49d7-84db-0e0bb92f1ff7", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[H:21][#8:20]-[c:16]1[c:5][c:8][c:14](\\[#6:2]=[#6:1](/[#6:15])-[c:10]2[c:11][c:12][c:17](-[#8:18][H:19])[c:13][c:9]2)[c:7][c:6]1>>[H:21][#8:20]-[c:16]1[c:6][c:7][c:14](-[#6:2]=O)[c:8][c:5]1.[H:19][#8:18]-[c:17]1[c:13][c:9][c:10]([c:11][c:12]1)-[#6:1](-[#6:15])=O", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "cccbc049-91e9-4dd9-84c1-b7b9f88ac691", "name": "bt0257-3855.4", "description": "Cyclic 1,2-epoxide > 1-Hydroxyaromatic", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/cccbc049-91e9-4dd9-84c1-b7b9f88ac691", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#6:1]:[#6:2]@-[#6:3]([H])-2-[#8:6]-[#6:4]([H])-2@-[#6:5]=[#6:7]>>[#6:1]:[#6:2]-[#6:3](-[#8:6])=[#6:4]([H])-[#6:5]=[#6:7]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "cd0f874b-364f-455e-814f-8f9f7d27600b", "name": "bt0352-4297.2", "description": "1-Methyl-2-oxo derivative + 2-Oxopent-4-enoate derivative > Acetate + RH + Pyruvate derivative + Acetaldehyde or Ketone", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/cd0f874b-364f-455e-814f-8f9f7d27600b", "kv": {}, "aliases": [], "scenarios": [], "rule_type": "SimpleAmbitRule", "smirks": "[#8:4]=[#6;D3,D4H1;R0:1](-[#6:2])!@-[#6:3]-[#6:8](=[O:10])-[#6:7](-[#8-:6])=[O:9]>>[#6:3]-[#6:8](=[O:10])-[#6:7](-[#8-:6])=[O:9].[#6:2]-[#6:1](-[#8-])=[O:4]", "reactant_filter_smarts": "", "product_filter_smarts": ""}, {"uuid": "cda01c72-86ec-42f7-89fa-82ebdcccd474", "name": "bt0063-3938", "description": "Methylammonium derivative + tertiary Amine + primary Amine + secondary Amine > 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Bis(2-chloroethyl) sulfide, also known as Yperite or mustard gas, is the most produced and stored chemical weapon. It is highly cytotoxic and is a carcinogenic and mutagenic alkylating agent; benzyl sulfide has been used as a non-toxic model for its metabolism. The microbial degradation of benzyl sulfide can be carried out by white-rot (Coriolous versicolor) and brown-rot (Tyromyces palustris) fungi ([http://www.ncbi.nlm.nih.gov/pubmed/9256235|Itoh et al., 1997]). The initial step may be the oxidative cleavage of the C-S bond to yield benzaldehyde and benzyl mercaptan. Benzaldyde can be reduced to benzyl alcohol or oxidized to benzoate. Benzyl mercaptan can be converted to benzyl disulfide in the presense or absence of fungi. Degradation of the disulfide to the mercaptan was observed in the presence of fungi. Benzaldehyde, benzyl alcohol, and benzoate follow the toluene pathway and are finally mineralized to CO2 and H2O. These and several other fungi can also oxide benzyl sulfide to the sulfoxide and the sulfone ([http://www.ncbi.nlm.nih.gov/pubmed/12571066|Van Hamme et al., 2003]), and this may be the primary aerobic route. The first oxidation step is catalyzed by extracellular enzymes such as laccase, but the second step is cytochrome P450 (unspecific monooxygenase) mediated. Rhodococcus sp. strain IGTS8 can perform these same two oxidations using a single sulfide/sulfoxide monooxygenase ([http://www.ncbi.nlm.nih.gov/pubmed/8824615|Lei and Tu, 1996]).", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/0dffa556-25a2-42a2-b424-ac2dbc0847c6", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "24e2dce8-b918-43dd-9469-9349608cc259", "name": "Dimethylisophthalate", "description": "Dimethyl isophthalate (DMI) is a white flaked solid, soluble in most organic solvents and belongs to a category of compounds called dimethyl phthalate esters (DMPE). DMI is used to modify the structural integrity of plastics such as polyethylene terephthalate (PET). Health concerns may be warranted due to the estrogenic mimicking properties of DMI ([http://www.ncbi.nlm.nih.gov/pubmed/17462710|Cheung et al., 2007]). The complementary metabolism of Klebsiella oxytoca Sc and Methylobacterium mesophilicum Sr can degrade DMI to non toxic metabolites ([http://www.ncbi.nlm.nih.gov/pubmed/17258288|Li et al., 2007]). Variovorax paradoxus T4 and Xanthobacter sp. ([http://www.ncbi.nlm.nih.gov/pubmed/17462710|Cheung et al., 2007]), and Rhodococcus erythropolis 5D and R. ruber 1B (Aleshchenkova et al., Microbiol. 66: 515-518, 1997) can also degrade DMI by the same pathway. Other phthalate degradation pathways are found on the Phthalate Family Map.", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/24e2dce8-b918-43dd-9469-9349608cc259", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "257b013f-0343-4ddc-91c3-9abc5f9de62d", "name": "Limonene", "description": "Limonene (4-isopropenyl-1-methyl-cyclohexene), a monocyclic monoterpene, is the most widespread terpene in the world and is formed by more than 300 plants. (+)-(4R)-limonene is its most widespread form ([http://www.ncbi.nlm.nih.gov/pubmed/10224006|van der Werf et al., 1999]). Limonene is the major constituent of citrus essential oils and is used as a raw material for the chemical synthesis of terpene resin adhesives and flavor materials, such as menthol and carvone. So far, five different microbial biotransformation pathways for limonene have been proposed. In the middle branch, a soil Pseudomonassp. degradates limonene in the same way as Rhodococcus erythropolis DCL14, but its final product is 1-hydroxy-2-oxolimonene rather than 3-isopropenyl-6-oxoheptanoyl-CoA. The middle branch shows a pathway for (+)-(4R)-limonene; a similar pathway using many of the same enzymes is known for (-)-(4S)-limonene ([http://www.ncbi.nlm.nih.gov/pubmed/10224006|van der Werf et al., 1999]).", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/257b013f-0343-4ddc-91c3-9abc5f9de62d", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "3022a7f1-9d3c-4780-ac90-8e1c11c886f2", "name": "Caffeine (fungal)", "description": "Caffeine (1,3,7-trimethylxanthine) is found naturally in coffee, tea and cocoa and used as a food and drug additive. When ingested by humans, caffeine stimulates the central nervous system, elevates blood pressure, increases metabolic rate, and acts as a diuretic ([http://www.ncbi.nlm.nih.gov/pubmed/16507475|Higdon and Frei, 2006]). Caffeine consumption may reduce the risk of Parkinson`s disease. However, adverse reactions to caffeine consumption can include anxiety, insomnia, heart palpitations, abdominal pain, and nausea, and high caffeine intake has been linked with increased risk of osteoporosis and complications in pregnancy ([http://www.ncbi.nlm.nih.gov/pubmed/17009088|Dash and Gummadi, 2006]). Caffeine is also mildly addictive. Withdrawal symptoms can include headache, fatigue, depressed mood, difficulty concentrating, irritability, nausea, and muscle pain ([http://www.ncbi.nlm.nih.gov/pubmed/16507475|Higdon and Frei, 2006]). Coffee pulp, a waste product produced during coffee processing, is a major pollutant in water bodies near coffee plants. Even though it is high in nutrients, it cannot be used as animal feed due to the high levels of caffeine and other unwanted compounds ([http://www.ncbi.nlm.nih.gov/pubmed/10959086|Pandey et al., 2000]). Solvents commonly used to produce caffeine-free products are either very expensive to use or toxic ([http://www.ncbi.nlm.nih.gov/pubmed/17009088|Dash and Gummadi, 2006]). However, a number of bacterial and fungal strains capable of degrading caffeine have been identified ([http://www.ncbi.nlm.nih.gov/pubmed/14977550|Mazzafera, 2004]). The pathway described below has been documented for members of the fungal species Penicillium commune and Aspergillus tamarii (Hakil et al. 1998. Enzyme Microb Technol 22: 355-359), other members of these two genera, and the bacterial species Pseudomonas putida CBB5 ([http://www.ncbi.nlm.nih.gov/pubmed/19447909|Yu et al., 2009]). In the major fungal pathway, caffeine degrades via theophylline (1,3-dimethylxanthine) and 3-methylxanthine to xanthine. Bacterial and minor fungal pathway branches funnel through paraxanthine and theobromine. In contrast to other known bacterial pathways, no methyluric acids are reported as degradation products.", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/3022a7f1-9d3c-4780-ac90-8e1c11c886f2", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "3ed539af-69b0-4295-8dd2-76f881bf5b9f", "name": "Parathion (an/aerobic)", "description": "Parathion (O,O-diethyl-O-p-nitrophenyl phosphorothioate) is an organophosphate compound and is one of the most toxic insecticides registered with the U.S. Environmental Protection Agency (EPA). On agricultural crops it was used widely as a broad spectrum insecticide, acaricide, fumigant and nematocide. In 1991 parathion became a Restricted Use Pesticide (RUP). Parathion is well tolerated by crops, does not easily leach through soil and may be degraded by soil microorganisms within weeks. Degradation of parathion by sunlight or liver enzymes results in the active compound paraoxon which interferes with the nervous system through cholinesterase inhibition. Extreme toxicity combined with the ease of exposure has resulted in numerous human and non-pest species deaths. The immediate aerobic metabolic breakdown product of parathion, PNP or p-nitrophenol, was listed as a priority pollutant in 1979 by the US EPA. The main aerobic pathway involves initial hydrolysis of parathion to para-nitrophenol and diethylthiophosphoric acid (middle branch). The oxidation of parathion to paraoxon was observed, but was a minor contribution (right branch). It was not determined whether this reaction was enzyme-mediated or not; it is shown here as being enzyme-mediated, based on the known enzymic oxidation of diethtylthiophosphoric acid to diethylphosphoric acid, though since the reactions are not well-characterized, both reactions cannot be balanced. Under anerobic conditions, parathion was reduced to aminoparathion, which is hydrolyzed to p-aminophenol and diethylthiophosphoric acid (left branch) ([http://www.ncbi.nlm.nih.gov/pubmed/8005|Munnecke & Hsieh, 1976]).", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/3ed539af-69b0-4295-8dd2-76f881bf5b9f", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "523b8c04-5050-4dbd-9e72-d7231fb1b9e9", "name": "3-Fluorobenzoate", "description": "3-Fluorobenzoic acid is a fluorinated organic compound. Little attention has been given to the biodegradation of these compounds. The uses of fluorinated aromatic compounds include herbicides, pesticides, insecticides, refrigerants, and anesthetics (B. D. Key, R. D. Howell, & C. S. Criddle (1997) Environ Sci Technol 31:2445-2454). Fluoroorganics are more stable than their chlorine analogues due to the stability of the C-F bond, which is 25 kcal/mol stronger than the C-Cl bond (D. F. McMillen & D. M. Golden (1982) Ann Rev Phys Chem 33:493). Fluoroorganics pose a potential human health concern. Industrial workers exposed to fluroorganics were shown to have higher serum organic fluorine concentrations than individuals not exposed to fluroorganics ([http://www.ncbi.nlm.nih.gov/pubmed/7405826|Ubel et al., 1980]). The health effects of acute fluoride toxicity are well known; however, it is unclear whether fluorinated organic compounds result in the same problems (Akiniwa. K. (1997) Fluoride 30(2): 89-104). In organisms that have been surveyed, metabolism of 2-fluorobenzoate and 4-fluorobenzoate is more common than that of 3-fluorobenzoate ([http://www.ncbi.nlm.nih.gov/pubmed/10919805|Song et al., 2000]). Two pathways of 3-fluorobenzoate degradation have been described. In one pathway, degradation is initiated by 1,2-dioxygenation of 3-fluorobenzoate to give 3-fluorohexadiene-cis,cis-1,2-diol-1-carboxylate. This is converted to 3-fluorocatechol, which is slowly metabolized to 2-fluoro-cis,cis-muconate, which is not metabolized further ([http://www.ncbi.nlm.nih.gov/pubmed/16345496|Schreiber et al., 1980]) , leading to accumulation of cytotoxic 3-fluorocatechol. Alternatively, metabolism can begin with 1,6-dioxygenation of 3-fluorobenzoate, which is converted to 5-fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate and then sequentially to 4-fluorocatechol, 3-fluoro-cis,cis-muconate, and eventually oxoadipate, which can enter central metabolism (K. H. Engesser, G. Auling, J. Busse, & H.-J. Knackmuss (1990) Arch Microbiol 153:193-199). Fluoride is also released in this pathway. Both pathways are present in strains that metabolize 3-fluorobenzoate, but metabolic flux through each pathway varies among the organisms (Engesser et al., 1990). Cells of Acinetobacter calcoaceticus NCIB 8250 ([http://www.ncbi.nlm.nih.gov/pubmed/1182155|Clarke et al., 1975]) and Pseudomonas sp. B13 ([http://www.ncbi.nlm.nih.gov/pubmed/16345496|Schreiber et al., 1980]) grown on benzoate or 3-chlorobenzoate, respectively, metabolized 3-fluorobenzoate, but the strains could not grow on the compound as a carbon and energy source. In these organisms, the major pathway of 3-fluorobenzoate degradation begins with 1,2-dioxygenation. Strain FLB 300 (alpha-2-subclass of Proteobacteria, Agrobacterium-Rhizobium branch) (Engesser et al., 1990) and Sphingomonas sp. HB-1 ([http://www.ncbi.nlm.nih.gov/pubmed/15321683|Boersma et al., 2004]) were able to grow using 3-fluorobenzoate as a sole carbon and energy source. In these strains that can assimilate 3-fluorobenzoate, the major pathway begins with 1,6-dioxygenation of the substrate, thereby reducing the amount of the toxic 3-fluorocatechol intermediate that is produced.", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/523b8c04-5050-4dbd-9e72-d7231fb1b9e9", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "52d72f19-910b-469c-ad60-5c3afce72cb6", "name": "4-Fluorobenzoate (an/aerobic)", "description": "Fluorinated hydrocarbons are most commonly used in herbicides, fungicides, and pharmaceuticals. A study dedicated to the isolation and characterization of aromatic compound degrading microbes found 4-fluorobenzoate in freshwater sediment and sewage in concentrations of 50-500 ppm (Horowitz, et al. (1982) Dev Ind Microbiol 23:435-44). Toxicology information is limited for this particular compound but studies on other more common halobenzenes have shown toxicity in high doses. Knowledge of fluorobenzoate metabolism is relatively sparse in comparison to other halobenzoates. Fluorinated organic compounds, such as 4-fluorobenzoate, are more resistant to microbial degradation than other halogenated compounds due to unusual carbon-fluorine bond properties ([http://www.ncbi.nlm.nih.gov/pubmed/12805763|Giesy et al., 2001]). Aerobic metabolism of 4-fluorobenzoate is initiated by an oxygen-dependent ring cleavage in B. cepacia , Pseudomonas sp. B13, A. eutrophus JMP134 and A. eutrophus 335. Cycloisomerization of 3-fluoro-cis,cis-muconate with the addition of a proton yields 4-fluoromuconolactone as the sole major product. Lactone hydrolysis preceeds a secondary dehalogenation reaction and the resulting product enters intermediary metabolism through the TCA cycle ([http://www.ncbi.nlm.nih.gov/pubmed/2394680|Schlomann et al., 1990]). In contrast to chloride and bromide elimination through a carbanionic intermediate ([http://www.ncbi.nlm.nih.gov/pubmed/16345496|Schreiber et al., 1980]), defluorination is not coupled to cycloisomerization and dienelactone formation is negligible ([http://www.ncbi.nlm.nih.gov/pubmed/2394680|Schlomann et al., 1990]). 4-Fluorobenzoate is anaerobically degraded by Aureobacterium sp. strain RHO25. Coenzyme A ligation and dehalogenation yields 4-hydroxybenzoyl-CoA, which enters common intermediary metabolism ([http://www.ncbi.nlm.nih.gov/pubmed/2604392|Oltmanns et al., 1989]). These pathways may be relevant for the degradation of other fluoroaromatic compounds.", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/52d72f19-910b-469c-ad60-5c3afce72cb6", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "535789b9-f6e6-45fc-9bfa-5b57f6655c54", "name": "Carbofuran", "description": "Carbofuran is a common agricultural pesticide belonging to the N-methylcarbamate family. It is used to control soil dwelling and leaf feeding insects. It has a high mammalian toxicity due to acetylcholinesterase inhibition. The oral LD50 value of carbofuran in mice and other animals has been reported to vary from 2 to 9 mg/kg bodyweight. Since it is water soluble and mobile in soil environments, it is very likely to contaminate lakes and ground water, so a major exposure to it is by drinking contaminated water. Because of this, it is important to find out ways to biodegrade it. Sphingomonas sp. strain SB5, can degrade carbofuran into carbofuran-7-phenol and methylamine, hydrolyze carbofuran-7-phenol to 3-(2-hydroxy-2-methylpropyl)benzene-1,2-diol (DP-1), and then degrade DP-1 into a red metabolite (DP-2). More study is needed to identify this red metabolite ([http://www.ncbi.nlm.nih.gov/pubmed/15080638|Kim et al., 2004]). Pseudomonas sp. 50432 is capable of hydroxylating carbofuran at the 4-position; further metabolites are unknown ([http://www.ncbi.nlm.nih.gov/pubmed/12351226|Chaudhry et al., 2002]). Carbofuran may also be hydroxylated at the 5 position by Novosphingobium sp. FND-3 and Rhodococcus TEI ([http://www.ncbi.nlm.nih.gov/pubmed/17425661|Yan et al., 2006]). Fungal degradation of carbofuran may occur via hydroxylation at the three position and oxidation to 3-ketocarbofuran ([http://www.ncbi.nlm.nih.gov/pubmed/9604338|Salama et al., 1998]).", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/535789b9-f6e6-45fc-9bfa-5b57f6655c54", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "5b80be8c-a8ba-4b2d-9745-950693bb44d2", "name": "Bisphenol A", "description": "Bisphenol A is widely used as a monomer for the production of polymers, such as epoxy resins and polycarbonate plastics. These plastics are used in many food and drink packaging applications. When the resins are inert materials, they are commonly used as lacquers to coat metal products such as food cans, bottle tops and water supply pipes. More information on this compound can be found at the Bisphenol A website from the Bisphenol A Global Industry Group and the Bisphenol A page at the Hormone Disrupting Compounds site. Bisphenol A is metabolized by a Gram-negative aerobic bacterium (strain MV1) via a novel pathway involving oxidative skeletal rearrangement. The metabolism involves two primary pathways: a minor pathway, in which Bisphenol A is first oxidized to a triol, and a major pathway, in which Bisphenol A is metabolized to form the intermediates 4-hydroxybenzoate and 4-hydroxyacetophenone that are converted to carbon dioxide and biomass ([http://www.ncbi.nlm.nih.gov/pubmed/8125948|Spivack et al., 1994]). Sphingobium xenophagium Bayram and Sphingomonas sp. strain TTNP3 can metabolize bisphenol A by an ipso-substitution mechanism that involves ring hydroxylation at the site of the substituent. This proposed hydroxylation product can be cleaved to form hydroquinone and a proposed 2-(4-hydroxyphenyl)-isopropyl cation. The cation can be transformed to 4-(2-hydroxypropan-2-yl)phenol, which can eliminate water to form 4-isopropenylphenol. 4-Isopropenylphenol can be reduced to 4-isopropylphenol. These are the reactions found in both organisms. There are other possible routes (not shown here), including formation of a 2-(4-hydroxyphenyl)-isopropyl anion instead of the cation, to the above products, and other side reactions occur in one organism or the other ([http://www.ncbi.nlm.nih.gov/pubmed/17886831|Gabriel et al., 2007], [http://www.ncbi.nlm.nih.gov/pubmed/17557840|Kolvenbach et al., 2007]). Sphingobium fuliginis TIK-1 can metabolize and grow on 4-isopropylphenol. S. fuliginis is proposed to hydroxylate 4-ispropylphenol to 4-isopropylcatechol, which is metabolized by a meta-cleavage pathway. 3-Methyl-2-butanone was the major degradation product observed ([http://www.ncbi.nlm.nih.gov/pubmed/20802076|Toyama et al., 2010]).", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/5b80be8c-a8ba-4b2d-9745-950693bb44d2", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "65783708-db79-40fb-878e-9526a7537165", "name": "Atrazine", "description": "Atrazine is a broad-leaf, pre-emergence herbicide. Eighty million pounds are applied to soils annually in the United States, more than any other herbicide. Atrazine is the leading member of a class of triazine ring-containing herbicides that includes simazine and terbuthylazine. The Triazine Metapathway Map contains additional information on triazine metabolism. A number of different bacteria have been identified that are capable of metabolizing atrazine to ammonia and carbon dioxide. Atrazine biodegradation has been found to occur via several different pathways that funnel into cyanuric acid metabolism. A gene region from Pseudomonas sp. strain ADP encoding atrazine degradation enzymes has been cloned and characterized. The initial hydrolytic dechlorination of atrazine to hydroxyatrazine ([http://www.ncbi.nlm.nih.gov/pubmed/7574646|de Souza et al., 1995]) is an animated reaction. Two enzymes belonging to the amidohydrolase protein family catalyze the sequential removal of ethylamine and isopropylamine ([http://www.ncbi.nlm.nih.gov/pubmed/9055410|Boundy-Mills et al., 1997] and [http://www.ncbi.nlm.nih.gov/pubmed/9422605|Sadowsky et al., 1998]). Degradation by Rhodococcus sp. strain N186/21 is initiated by oxidative removal of either the ethyl or isopropyl group ([http://www.ncbi.nlm.nih.gov/pubmed/7646049|Nagy et al., 1995]). Deethylatrazine undergoes a second oxidative removal of the isopropyl group. Hydrolytic removal of s-triazine ring substituents from deisopropylatrazine and deisopropyldeethylatrazine yields cyanuric acid.", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/65783708-db79-40fb-878e-9526a7537165", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "67859a8d-3ce2-44ad-ae91-399cf6c07665", "name": "alpha-Pinene", "description": "Alpha-Pinene is a monoterpene that may be a significant factor affecting bacterial activities in nature. It is a major component in tea-tree oils, and gives off a piney smelling odor. Terpenes are widely used as flavorings, deodorants, and medicines (as in the treatment of acne). It is not clear whether the enzymes from B. pallidus here named \"alpha-pinene dehydrogenase\" and \"alpha-pinene monooxygenase\" are the same enzyme or two different enzymes. Indeed, these pathways may be catalyzed by a limited number of isomerase, monooxygenase and dehydrogenase enzymes with broad substrate specificities. Glycine mediates the isomerization of cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid to trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid. The beta-oxidation reactions transforming cis/trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid to 3-Isopropylbut-3-enoic acid are postulated (Savithiry et al., 1998).", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/67859a8d-3ce2-44ad-ae91-399cf6c07665", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "809882b1-6377-4e63-8166-42cf7a7b222e", "name": "Orcinol", "description": "Benzene compounds with dihydroxylated rings, e.g. catechol (1,2-benzenediol) and hydroquinone (1,4-benzenediol), are important intermediates in bacterial catabolism of aromatic compounds. The bacterial catabolism of orcinol (5-methyl-1,3-benzenediol) can be used as a model for the metabolism of other members of the resorcinol (1,3-benzenediol) compound family. This family includes many commercially-important compounds; for example, 4-hexylresorcinol is used medicinally as a topical antiseptic. This pathway is based on [http://www.ncbi.nlm.nih.gov/pubmed/1254564|Chapman and Ribbons (1976)].", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/809882b1-6377-4e63-8166-42cf7a7b222e", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "80b5312b-43d7-4e7b-94fd-4074cf3abd1f", "name": "Trichloroethylene", "description": "Trichloroethylene (TCE) is a good solvent and is used in manufacturing to clean grease from machinery. It is one of the most abundant environmental pollutants of groundwater in the United States. In some groundwater, TCE undergoes reductive dechlorination catalyzed by anaerobic bacteria that yields vinyl chloride, a potent human carcinogen. TCE removal by dumping or air stripping is now largely disallowed and this has focused efforts on biological methods of TCE remediation in soil and water. The enzyme that starts one branch of this pathway, toluene 1,2-dioxygenase, has many other catalytic abilities, which are documented in a table of the Reactions of Toluene 1,2-Dioxygenase. The spontaneous degradation of trichloroethylene epoxide can produce as many as four products: dichloroacetate, carbon monoxide, glyoxylate, and formate. The number, type, and proportion of products seen depends on the local environment.", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/80b5312b-43d7-4e7b-94fd-4074cf3abd1f", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "a0ce66fa-3058-4ddb-b6a8-e4bbe78ad66f", "name": "1,1,1-Trichloroethane (an/aerobic)", "description": "1,1,1-Trichloroethane (TCA) is a synthetic organic solvent widely used in industrial processes and is a major environmental pollutant commonly found in soil, groundwater, and the atmosphere. TCA is present in at least 696 of the 1430 National Priorities List sites identified by the U.S. Environmental Protection Agency (EPA). Because of TCA\ufffds adverse effects on human health, the EPA has set a maximum contaminant level of 200 ppb in drinking water. TCA is also listed as an ozone-depleting substance by the United Nations Environment Programme. Even when released into soil or leached into groundwater, the primary environmental fate of TCA is volatilization to the atmosphere, where it interacts with ozone and contributes to the erosion of the ozone layer. TCA can be reductively dechlorinated under anaerobic conditions to 1,1,-dichloroethane (DCA) by Desulfobacterium autotrophicum (C. Egli, R. Scholtz, A. M. Cook, & T. Leisinger (1987) FEMS Microbiol. Lett. 43:257-261.) and a Clostridium sp. ([http://www.ncbi.nlm.nih.gov/pubmed/2729985|Galli and McCarty, 1989]). Reductive dechlorination of TCA to DCA and chloroethane (CA) has been documented in methanogenic consortia (J. H. de Best, A. Hage, H. J. Doddema, D. B. Janssen, & W. Harder (1999) Appl. Environ. Microbiol. 51:277-283.) and a putative Dehalobacter sp. (designated strain TCA1) ([http://www.ncbi.nlm.nih.gov/pubmed/12411705|Sun et al., 2002]). [http://www.ncbi.nlm.nih.gov/pubmed/10633545|Chen et al. (1999)] reported the complete dehalogenation of TCA, DCA, and CA to ethane by an anaerobic consortium in sewage sludge, but ethane was a minor product in all cases (< 5%, < 3%, and < 1% of the initial substrate degraded to ethane, respectively). The enzymes that catalyze the reductive dehalogenation of TCA have not been identified. TCA can be aerobically transformed to 2,2,2-trichloroethanol by the methanotroph Methylosinus trichosporium OB3b expressing a soluble methane monooxygenase ([http://www.ncbi.nlm.nih.gov/pubmed/2624462|Oldenhuis et al., 1989]), and by ethane-utilizing Mycobacterium spp. isolated from soil ([http://www.ncbi.nlm.nih.gov/pubmed/10508110|Yagi et al., 1999]). Further study revealed that one of the Mycobacterium strains produced trichloroacetic acid and dichloroacetic acid as minor products (12.7% and 1.2%, respectively, vs. 85.5% of TCA converted to 2,2,2-trichloroethanol) during the aerobic transformation of TCA ([http://www.ncbi.nlm.nih.gov/pubmed/11999413|Hashimoto et al., 2002]). Oldenhuis et al (1989) found that M. trichosporium expressing soluble methane monooxygenase completely dechlorinated DCA, but degradation intermediates were not identified. [http://www.ncbi.nlm.nih.gov/pubmed/12355460|Kim et al. (2000)] observed partial dechlorination of DCA (~37% of initial solvent) by an aerobic butane-grown mixed culture. In Nitrosomonas europea, an ammonia monooxygenase catalyzed the oxidation of CA to acetaldehyde, with 2-Chloroethanol produced as a minor product (1-2% 2-chloroethanol vs. 98% acetaldehyde) ([http://www.ncbi.nlm.nih.gov/pubmed/2394686|Rasche et al., 1990]).", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/a0ce66fa-3058-4ddb-b6a8-e4bbe78ad66f", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "a9029787-5381-455d-ba4f-5283aa527c2c", "name": "Malathion", "description": "Malathion is an organophosphate pesticide commonly used in the United States for controlling mosquito populations. The toxicity of malathion is low but acute exposure in high doses may cause a variety of symptoms including nausea, dizziness, or confusion. Malaoxon is a potent cholinesterase inhibitor that can be formed from malathion under certain conditions. Exposure to malaoxon can lead to complications in the central nervous system (Edwards, 2006. US Environmental Protection Agency - Prevention, Pesticides and Toxic Substances EPA 738-R-06-030). The predominant biodegradation pathway for malathion involves formation of mono- and diacid metabolites through carboxylesterase activity. Oxidative desulfurization and demethylation leads to complete mineralization. Other minor routes of metabolism include initial oxidation to remove sulfur and methyl groups ([http://www.ncbi.nlm.nih.gov/pubmed/402103|Laveglia and Dahm, 1977]). Pseudomonas aeruginosa AA112 is able to use malathion as a sole carbon source. [http://www.ncbi.nlm.nih.gov/pubmed/17896475|Abo-Amer (2007)] observed the formation of diethylsuccinate and succinate metabolites. The intermediate steps in this pathway have not been characterized. However, the reduction of -SH to -H (diethyl 2-mercaptosuccinate -> diethylsuccinate) may be abiotic ([http://www.ncbi.nlm.nih.gov/pubmed/12713326|Hebting et al., 2003]).", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/a9029787-5381-455d-ba4f-5283aa527c2c", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "b8b3f751-a922-4398-8a52-a3dcf7c36867", "name": "Caffeine", "description": "Caffeine (1,3,7-trimethylxanthine) is found naturally in coffee, tea and cocoa and used as a food and drug additive. When ingested by humans, caffeine stimulates the central nervous system, elevates blood pressure, increases metabolic rate, and acts as a diuretic ([http://www.ncbi.nlm.nih.gov/pubmed/16507475|Higdon and Frei, 2006]). Caffeine consumption may reduce the risk of Parkinson`s disease. However, adverse reactions to caffeine consumption can include anxiety, insomnia, heart palpitations, abdominal pain, and nausea, and high caffeine intake has been linked with increased risk of osteoporosis and complications in pregnancy ([http://www.ncbi.nlm.nih.gov/pubmed/17009088|Dash and Gummadi, 2006]). Caffeine is also mildly addictive. Withdrawal symptoms can include headache, fatigue, depressed mood, difficulty concentrating, irritability, nausea, and muscle pain ([http://www.ncbi.nlm.nih.gov/pubmed/16507475|Higdon and Frei, 2006]). Coffee pulp, a waste product produced during coffee processing, is a major pollutant in water bodies near coffee plants. Despite the fact that it is high in nutrients, it cannot be used as animal feed due to the high levels of caffeine and other unwanted compounds ([http://www.ncbi.nlm.nih.gov/pubmed/10959086|Pandey et al., 2000]). Solvents commonly used to produce caffeine-free products are either very expensive to use or toxic ([http://www.ncbi.nlm.nih.gov/pubmed/17009088|Dash and Gummadi, 2006]). However, a number of bacterial and fungal strains capable of degrading caffeine have been identified ([http://www.ncbi.nlm.nih.gov/pubmed/14977550|Mazzafera, 2004]). There are multiple possible pathways depending on the genus, species and strain of organism degrading the caffeine. In the bacteria Psuedomonas putida and Serratia marcescens, the major pathway is through theobromine to 7-methylxanthine to xanthine ([http://www.ncbi.nlm.nih.gov/pubmed/14977550|Mazzafera, 2004]). Minor branches produce methyluric acids; it has been proposed that these degrade to uric acid ([http://www.ncbi.nlm.nih.gov/pubmed/17009088|Dash and Gummadi, 2006]), but this has not been confirmed. Another bacterial pathway, found in Rhodococcus and Klebsiella spp., requires oxidation to yield 1,3,7-trimethyluric acid ([http://www.ncbi.nlm.nih.gov/pubmed/9705852|Madyastha and Sridhar, 1998]). Caffeine can also be degraded via alternative pathways found in several fungal and one bacterial species.", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/b8b3f751-a922-4398-8a52-a3dcf7c36867", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "bbd9ef3c-5d42-4af9-a1ca-fceaa0fa13ae", "name": "Pyrene", "description": "Pyrene is a four-ringed polycyclic aromatic hydrocarbon (PAH). Although not a carcinogen, pyrene is a byproduct of the manufactured gas process and other incomplete combustion processes. Pyrene is present at thousands of sites throughout the United States and pyrene has been shown to be involved in the bacterial cometabolism of the potent carcinogen benzo[a]pyrene ([http://www.ncbi.nlm.nih.gov/pubmed/10698765|Boonchan et al., 2000]), whose metabolism is shown elsewhere on this site. The biodegradation of benzo[a]pyrene is known to proceed through substituted pyrene intermediates (e.g., [http://www.ncbi.nlm.nih.gov/pubmed/8572690|Schneider et al., 1996]). Pyrene can be biodegraded by bacteria and fungi through initial dioxygenase (bacteria) and monooxygenase (bacteria and fungi) reactions.", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/bbd9ef3c-5d42-4af9-a1ca-fceaa0fa13ae", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "c6a2135b-e067-48eb-ae2c-062743ff3ec9", "name": "Isoproturon", "description": "The phenylurea herbicide isoproturon (IPU) is used against annual grasses and broad-leaved weeds in cereal production across Europe, resulting in both surface water and ground water pollution ([http://www.ncbi.nlm.nih.gov/pubmed/11722885|Sorensen et al., 2001]). Isoproturon in soil is degraded, producing carbon dioxide and degradation products ([http://www.ncbi.nlm.nih.gov/pubmed/11482681|Perrin-Gainer et al., 2001]). The major biodegradation pathway of isoproturon is isoproturon -> mono-demethyl-isoproturon -> hydroxy-monodemethyl-isoproturon -> 4`-(2-hydroxyisopropylphenyl)urea -> 4`-(2-hydroxyisopropylphenyl)aniline. Other minor pathways exist. Through one of these, 4,4`-diisopropylazobenzene can accumulate in soil ([http://www.ncbi.nlm.nih.gov/pubmed/11482681|Perrin-Ganier et al., 2001]). Attempts to isolate microorganisms which metabolize isoproturon have often failed. Recently, Sphingomnas sp. strain SRS2 was found to mineralize isoproturon. Sphingomnas sp. strain SRS2 is auxotrophic; it requires strain SRS1 to supply amino acids needed for the pathway ([http://www.ncbi.nlm.nih.gov/pubmed/12089031|Sorensen et al., 2002]).", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/c6a2135b-e067-48eb-ae2c-062743ff3ec9", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "d201269f-a284-4737-a7dd-55d1606bc0af", "name": "N,N-Diethyl-m-toluamide", "description": "N,N-Diethyl-m-toluamide, commonly known as DEET, is broadly used as an active ingredient in insect repellents ([http://www.ncbi.nlm.nih.gov/pubmed/17337538|Rivera-Cancel et al., 2007]). In the United States, 30% of people use an insect repellent containing DEET at least once a year ([http://www.ncbi.nlm.nih.gov/pubmed/11693870|McGready et al., 2001]). Annual domestic use equals approximately 1,800 tons ([http://www.ncbi.nlm.nih.gov/pubmed/17337538|Rivera-Cancel et al., 2007]). DEET was originally patented by the United States Army for use in insect-infested areas and was later registered for use by the general public. DEET is not known to have carcinogenic effects on humans (EXTOXNET; Pesticide Information Profile: DEET). While not carcinogenic, exposure to N,N-diethyl-m-toluamide does have human health effects including skin reactions and in rare cases of high-level exposure, seizures, toxic encephalopathy, acute manic psychosis and death (TOXNET; Hazardous Substances Data Bank; DEET). Hydrolysis of the amide bond in N,N-Diethyl-m-toluamide yields 3-methylbenzoate and diethylamine. This transformation is catalyzed by the enzyme DEET hydrolase under aerobic conditions by the bacterium P. putida DTB. The resulting 3-methylbenzoate is then converted to 3-methylcatechol which can be further metabolized through the meta cleavage pathway of Pseudomonas putida ([http://www.ncbi.nlm.nih.gov/pubmed/17337538|Rivera-Cancel et al., 2007]). Diethylamine and ethylamine are both hydrolyzed to acetaldehyde before entering central metabolism ([http://www.ncbi.nlm.nih.gov/pubmed/1268229|Steenkamp et al., 1976]). In laboratory batch experiments with activated sludge from a membrane bioreactor, the two main products observed were the product of enzymatic dealkylation and the product of enzymatic oxidation.", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/d201269f-a284-4737-a7dd-55d1606bc0af", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "d80622c2-0d8c-459f-8068-73543a341912", "name": "Tetrabromobisphenol A", "description": "3,3`,5,5`-Tetrabromobisphenol A (TBP) is a chemical used in industry as a flame retardant treatment for paper and textiles as well as an additive during the manufacture of plastics, polymers and circuit boards. TBP is not believed to be carcinogenic or mutagenic to humans. However, TBP is toxic to life in aquatic envioronments and has a 50% lethal dose for fish of 0.4 or 0.54 mg/L and 50% effective concentration of 0.96 mg/L for Daphnia magna. A report on TBA and its derivatives has been produced by the International Programme on Chemical Safety. TBP is nonvolatile and is not mobile in the soil partially because TBP is insoluble in water (<1 mg/liter) at a pH of 7.0. In soils with increased pH levels the solubility of TBP is significantly increased and can leach into and contaminate groundwater below contaminated soil. This pathway is based on [http://www.ncbi.nlm.nih.gov/pubmed/10831413|Ronen and Abeliovich, 2000] and [http://www.ncbi.nlm.nih.gov/pubmed/14669869|Arbeli and Ronen, 2003].", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/d80622c2-0d8c-459f-8068-73543a341912", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "d9148295-4aaf-499c-a305-71c964702f8e", "name": "Tetrahydrofuran", "description": "Tetrahydrofuran (THF) is one of the most polar ethers and is a widely used solvent for polar reagents. Since THF is very soluble in water and has a relatively low boiling point, signficant amounts are often released into the environment, causing contamination problems. Tetrahydrofuran is not considered to be readily degradable, and concerns of environmental contamination have been raised. [http://www.ncbi.nlm.nih.gov/pubmed/1367773| Bernhardt and Diekmann (1991)] performed studied the pathway for tetrahydrofuran degradation by Rhodococcus ruber DSM 44190. The pathway shown below is hypothetical. Not all intermediates (e.g. 2-hydroxytetrahydrofuran) were detected. In fact, the isomerization of 2-hydroxytetrahydrofuran might occur spontaneously and not require an enzyme. However, degradation experiments using the same organism were performed with a similar compound, 2,5-dimethyltetrahydrofuran (Bock, C., Kroppenstedt, R.M., and Diekmann, H., 1996, Appl Microbiol Biotechnol. 45:408-410), and those data support the proposed tetrahydrofuran pathway. [http://www.ncbi.nlm.nih.gov/pubmed/12632259|Thiemer et al. (2003)] characterized the pathway in Pseudonocardia sp. strain K1. This strain only uses the left pathway branch.", "url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/pathway/d9148295-4aaf-499c-a305-71c964702f8e", "kv": {}, "aliases": [], "scenarios": [], "setting": null}, {"uuid": "f47cc15b-6ef8-4fc3-97e4-6c8b2a6b055b", "name": "Nitrofen", "description": "Nitrofen is a potent herbicide and has the ability to induce various physiological effects, including master cell activation, organ morphogenesis and severe endocrine disruptor activities. Nitrofen, in its purest form is a colorless and crystalline solid. The technical material is a brown, free flowing solid with a slight aromatic odor. The melting point of the technical material is 64-71C and the density is 1.80g/cm3 at 83C. It is used as a pre or post-emergence contact herbicide. Moderate application rates give selective control in cereals, certain ornamentals, vegetable crops, sugar beet and paddy fields. High application rates will give total vegetation control. Nitrofen requires adequate moisture for full effectiveness. Sphingomonas wittichii RW1 is a very potent diphenyl ether herbicide metabolizing bacterium with broad substrate specificity ([http://www.ncbi.nlm.nih.gov/pubmed/18778066|Keum et al., 2008]). The interesting aspect of the Nitrofen degradation by this strain is the initial reduction of nitro group followed by N-acetylation. As in other Sphingomonads, dissociation of the diaryl ether bond is also found in strain RW1 during Nitrofen metabolism. Although, ether bond clevage is a common metabolic pathway of diaryl ethers in animal, plant, fungi and bacteria, corresponding enzymes of eukaryotes and prokaryotes are different. Bacterial degradation of diphenyl ethers and related environmental contaminants are usually catalyzed by multi-component dioxygenase system, while eukaryotic biodegradation is catalyzed by monooxygenase or peroxidase ([http://www.ncbi.nlm.nih.gov/pubmed/11762605|Hiratsuka et al., 2001]) identified the degradation of diphenyl ether herbicides by the lignin-degrading basidomycete Coriolus versicolor. White-rot basidiomycetous fungi are capable of degrading a variety of environmentally persistent aromatic pollutants. 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b/tests/views/test_package_views.py new file mode 100644 index 00000000..85b64b38 --- /dev/null +++ b/tests/views/test_package_views.py @@ -0,0 +1,180 @@ +from django.conf import settings as s +from django.core.files.uploadedfile import SimpleUploadedFile +from django.test import TestCase, tag +from django.urls import reverse + +from epdb.logic import UserManager +from epdb.models import Package, UserPackagePermission, Permission, GroupPackagePermission, Group + + +class PackageViewTest(TestCase): + fixtures = ["test_fixtures.jsonl.gz"] + + @classmethod + def setUpClass(cls): + super(PackageViewTest, cls).setUpClass() + cls.user1 = UserManager.create_user("user1", "user1@envipath.com", "SuperSafe", + set_setting=False, add_to_group=True, is_active=True) + cls.user2 = UserManager.create_user("user2", "user2@envipath.com", "SuperSafe", + set_setting=False, add_to_group=True, is_active=True) + + def setUp(self): + self.client.force_login(self.user1) + + def test_create_package(self): + response = self.client.post(reverse("packages"), { + "package-name": "Test Package", + "package-description": "Just a Description", + }) + self.assertEqual(response.status_code, 302) + package_url = response.url + + p = Package.objects.get(url=package_url) + + self.assertEqual(p.name, "Test Package") + self.assertEqual(p.description, "Just a Description") + + upp = UserPackagePermission.objects.get(package=p, user=self.user1) + self.assertEqual(upp.permission, Permission.ALL[0]) + + def test_import_package(self): + file = SimpleUploadedFile( + "Fixture_Package.json", + open(s.FIXTURE_DIRS[0] / "Fixture_Package.json", "rb").read(), + content_type="application/json" + ) + + response = self.client.post(reverse("packages"), { + "file": file, + "hidden": "import-package-json" + }) + + self.assertEqual(response.status_code, 302) + package_url = response.url + + p = Package.objects.get(url=package_url) + + self.assertEqual(p.pathways.count(), 22) + self.assertEqual(p.rules.count(), 45) + self.assertEqual(p.compounds.count(), 223) + self.assertEqual(p.reactions.count(), 212) + + upp = UserPackagePermission.objects.get(package=p, user=self.user1) + self.assertEqual(upp.permission, Permission.ALL[0]) + + @tag("slow") + def test_import_legacy_package(self): + file = SimpleUploadedFile( + "EAWAG-BBD.json", + open(s.FIXTURE_DIRS[0] / "packages" / "2025-07-18" / "EAWAG-BBD.json", "rb").read(), + content_type="application/json" + ) + + response = self.client.post(reverse("packages"), { + "file": file, + "hidden": "import-legacy-package-json" + }) + + self.assertEqual(response.status_code, 302) + package_url = response.url + + p = Package.objects.get(url=package_url) + + self.assertEqual(p.pathways.count(), 219) + self.assertEqual(p.rules.count(), 498) + self.assertEqual(p.compounds.count(), 1399) + self.assertEqual(p.reactions.count(), 1480) + self.assertEqual(p.scenarios.count(), 1914) + + upp = UserPackagePermission.objects.get(package=p, user=self.user1) + self.assertEqual(upp.permission, Permission.ALL[0]) + + def test_edit_package(self): + response = self.client.post(reverse("packages"), { + "package-name": "Test Package", + "package-description": "Just a Description", + }) + self.assertEqual(response.status_code, 302) + package_url = response.url + + self.client.post(package_url, { + "package-name": "New Name", + "package-description": "New Description", + }) + + p = Package.objects.get(url=package_url) + + self.assertEqual(p.name, "New Name") + self.assertEqual(p.description, "New Description") + + def test_edit_package_permissions(self): + response = self.client.post(reverse("packages"), { + "package-name": "Test Package", + "package-description": "Just a Description", + }) + self.assertEqual(response.status_code, 302) + package_url = response.url + p = Package.objects.get(url=package_url) + + with self.assertRaises(UserPackagePermission.DoesNotExist): + UserPackagePermission.objects.get(package=p, user=self.user2) + + self.client.post(package_url, { + "grantee": self.user2.url, + "read": "on", + "write": "on", + }) + + upp = UserPackagePermission.objects.get(package=p, user=self.user2) + + self.assertEqual(upp.permission, Permission.WRITE[0]) + + def test_publish_package(self): + response = self.client.post(reverse("packages"), { + "package-name": "Test Package", + "package-description": "Just a Description", + }) + self.assertEqual(response.status_code, 302) + package_url = response.url + p = Package.objects.get(url=package_url) + + self.client.post(package_url, { + "hidden": "publish-package" + }) + + self.assertEqual(Group.objects.filter(public=True).count(), 1) + g = Group.objects.get(public=True) + gpp = GroupPackagePermission.objects.get(package=p, group=g) + self.assertEqual(gpp.permission, Permission.READ[0]) + + + def test_set_package_license(self): + response = self.client.post(reverse("packages"), { + "package-name": "Test Package", + "package-description": "Just a Description", + }) + + package_url = response.url + p = Package.objects.get(url=package_url) + + self.client.post(package_url, { + "license": "no-license" + }) + + self.assertIsNone(p.license) + # TODO test others + + + def test_delete_package(self): + response = self.client.post(reverse("packages"), { + "package-name": "Test Package", + "package-description": "Just a Description", + }) + + package_url = response.url + p = Package.objects.get(url=package_url) + + p.delete() + + response = self.client.get(package_url) + self.assertEqual(response.status_code, 404) diff --git a/tests/views/test_user_views.py b/tests/views/test_user_views.py new file mode 100644 index 00000000..5e1aa814 --- /dev/null +++ b/tests/views/test_user_views.py @@ -0,0 +1,80 @@ +from django.test import TestCase + +from epdb.logic import PackageManager +from epdb.models import Package, User +from django.urls import reverse + + +class UserViewTest(TestCase): + fixtures = ["test_fixtures.jsonl.gz"] + + @classmethod + def setUpClass(cls): + super(UserViewTest, cls).setUpClass() + cls.user = User.objects.get(username='anonymous') + cls.package = PackageManager.create_package(cls.user, 'Anon Test Package', 'No Desc') + cls.BBD_SUBSET = Package.objects.get(name='Fixtures') + + def test_login_with_valid_credentials(self): + response = self.client.post(reverse("login"), { + "username": "user0", + "password": 'SuperSafe', + }) + self.assertRedirects(response, reverse("index")) + self.assertTrue(response.wsgi_request.user.is_authenticated) + + def test_login_with_invalid_credentials(self): + response = self.client.post(reverse("login"), { + "username": "user0", + "password": "wrongpassword", + }) + self.assertEqual(response.status_code, 200) + self.assertFalse(response.wsgi_request.user.is_authenticated) + + def test_register(self): + response = self.client.post(reverse("register"), { + "username": "user1", + "email": "user1@envipath.com", + "password": "SuperSafe", + "rpassword": "SuperSafe", + }) + self.assertEqual(response.status_code, 200) + # TODO currently fails as the fixture does not provide a global setting... + self.assertContains(response, "Registration failed!") + + def test_register_password_mismatch(self): + response = self.client.post(reverse("register"), { + "username": "user1", + "email": "user1@envipath.com", + "password": "SuperSafe", + "rpassword": "SuperSaf3", + }) + self.assertEqual(response.status_code, 200) + self.assertContains(response, "Registration failed, provided passwords differ") + + def test_logout(self): + response = self.client.post(reverse("login"), { + "username": "user0", + "password": 'SuperSafe', + "login": "true" + }) + self.assertTrue(response.wsgi_request.user.is_authenticated) + + response = self.client.post(reverse('logout'), { + "logout": "true", + }) + self.assertFalse(response.wsgi_request.user.is_authenticated) + + def test_next_param_properly_handled(self): + response = self.client.get(reverse('packages')) + + self.assertRedirects(response, f"{reverse('login')}/?next=/package") + + response = self.client.post(reverse('login'), { + "username": "user0", + "password": 'SuperSafe', + "login": "true", + "next": "/package" + }) + + self.assertRedirects(response, reverse('packages')) diff --git a/utilities/decorators.py b/utilities/decorators.py index 8c86cbb3..ae37ceef 100644 --- a/utilities/decorators.py +++ b/utilities/decorators.py @@ -1,9 +1,10 @@ # decorators.py from functools import wraps -from django.shortcuts import render +from django.shortcuts import get_object_or_404 from epdb.logic import PackageManager +from epdb.models import Package # Map HTTP methods to required permissions DEFAULT_METHOD_PERMISSIONS = { @@ -24,6 +25,9 @@ def package_permission_required(method_permissions=None): user = _anonymous_or_real(request) permission_required = method_permissions[request.method] + # Check if the requested Package exists + get_object_or_404(Package, uuid=package_uuid) + if not PackageManager.has_package_permission(user, package_uuid, permission_required): from epdb.views import error return error(