Copies Target proposals to new (RHS) Compounds (#629)

* fix: Branch for project reference fix

* fix: Projects copied from Target (during RHS cset-upload)

* fix: Add save before copying projects

* fix: Remove unnecessary save()

* ci: Attempt to fix docker-compose problem

* ci: Fix staging and production builds (docker compose)

---------

Co-authored-by: Alan Christie <alan.christie@matildapeak.com>

Author: alanbchristie

.github/workflows/build-dev.yaml

@@ -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 }}

.github/workflows/build-production.yaml

@@ -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 }}

.github/workflows/build-staging.yaml

@@ -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 }}

viewer/cset_upload.py

@@ -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