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Copies Target proposals to new (RHS) Compounds #629

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merged 6 commits into from
Aug 6, 2024
Merged

Copies Target proposals to new (RHS) Compounds #629

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86895fa
fix: Branch for project reference fix
Jul 30, 2024
94fcec7
fix: Projects copied from Target (during RHS cset-upload)
Aug 1, 2024
9cc38e8
fix: Add save before copying projects
Aug 6, 2024
930e5b2
fix: Remove unnecessary save()
Aug 6, 2024
e8061d4
ci: Attempt to fix docker-compose problem
Aug 6, 2024
9f98b1f
ci: Fix staging and production builds (docker compose)
Aug 6, 2024
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11 changes: 5 additions & 6 deletions .github/workflows/build-dev.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -85,12 +85,11 @@ jobs:
with:
context: .
tags: ${{ steps.vars.outputs.BE_NAMESPACE }}/fragalysis-backend:${{ env.GITHUB_REF_SLUG }}
- name: Test
run: >
docker-compose -f docker-compose.test.yml up
--build
--exit-code-from tests
--abort-on-container-exit
- name: Test (docker compose)
uses: hoverkraft-tech/compose-action@v2.0.1
with:
compose-file: ./docker-compose.test.yml
up-flags: --build --exit-code-from tests --abort-on-container-exit
env:
BE_NAMESPACE: ${{ steps.vars.outputs.BE_NAMESPACE }}
BE_IMAGE_TAG: ${{ env.GITHUB_REF_SLUG }}
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11 changes: 5 additions & 6 deletions .github/workflows/build-production.yaml
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Expand Up @@ -134,12 +134,11 @@ jobs:
tags: |
${{ steps.vars.outputs.BE_NAMESPACE }}/fragalysis-backend:${{ steps.vars.outputs.tag }}
${{ steps.vars.outputs.BE_NAMESPACE }}/fragalysis-backend:stable
- name: Test
run: >
docker-compose -f docker-compose.test.yml up
--build
--exit-code-from tests
--abort-on-container-exit
- name: Test (docker compose)
uses: hoverkraft-tech/compose-action@v2.0.1
with:
compose-file: ./docker-compose.test.yml
up-flags: --build --exit-code-from tests --abort-on-container-exit
env:
BE_NAMESPACE: ${{ steps.vars.outputs.BE_NAMESPACE }}
BE_IMAGE_TAG: ${{ steps.vars.outputs.tag }}
Expand Down
11 changes: 5 additions & 6 deletions .github/workflows/build-staging.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -154,12 +154,11 @@ jobs:
with:
context: .
tags: ${{ steps.vars.outputs.BE_NAMESPACE }}/fragalysis-backend:${{ steps.vars.outputs.tag }}
- name: Test
run: >
docker-compose -f docker-compose.test.yml up
--build
--exit-code-from tests
--abort-on-container-exit
- name: Test (docker compose)
uses: hoverkraft-tech/compose-action@v2.0.1
with:
compose-file: ./docker-compose.test.yml
up-flags: --build --exit-code-from tests --abort-on-container-exit
env:
BE_NAMESPACE: ${{ steps.vars.outputs.BE_NAMESPACE }}
BE_IMAGE_TAG: ${{ steps.vars.outputs.tag }}
Expand Down
13 changes: 13 additions & 0 deletions viewer/cset_upload.py
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Expand Up @@ -290,6 +290,19 @@ def create_mol(self, inchi, target, name=None) -> Compound:
current_identifier=name,
)
cpd.save()
# This is a new compound.
# We must now set relationships to the Proposal that it applies to.
# We do this by copying the relationships from the Target.
num_target_proposals = len(target.project_id.all())
assert num_target_proposals > 0
if num_target_proposals > 1:
logger.warning(
'Compound Target %s has more than one Proposal (%d)',
target.title,
num_target_proposals,
)
for project in target.project_set.all():
cpd.project_id.add(project)
except MultipleObjectsReturned as exc:
# NB! when processing new uploads, Compound is always
# fetched by inchi_key, so this shouldn't ever create
Expand Down