Merge pull request #282 from BradyAJohnston/test-versions

add multiple bpy versions to test suite (bpy 3.5 / 3.6)

.github/workflows/tests.yml

@@ -15,7 +15,7 @@ jobs:
       max-parallel: 4
       fail-fast: false
       matrix:
-        blender-version: ["3.5.0"]
+        blender-version: ["3.5.0", "3.6.0"]
         os: [ubuntu-latest, windows-latest]
         # os: [ubuntu-latest]
     steps:
@@ -24,7 +24,7 @@ jobs:
         with:
           python-version: '3.10'
           cache: 'pip'
-      # - run: pip install bpy==${{ matrix.blender-version }}
+      - run: pip install bpy==${{ matrix.blender-version }}
       # - run: pip install -r requirements.txt
       - name: Install MolecularNodes + Dependencies
         run: pip install .

MolecularNodes/assembly/cif.py

@@ -66,9 +66,9 @@ def get_transformations(self, assembly_id):
                         rotations, translations
                     )
                     transformations.append((
-                        np.array(affected_chain_ids, dtype="U4"),
-                        total_rotation,
-                        total_translation
+                        np.array(affected_chain_ids, dtype="U4").tolist(),
+                        total_rotation.tolist(),
+                        total_translation.tolist()
                     ))
 
         return transformations

MolecularNodes/assembly/mmtf.py

@@ -41,7 +41,7 @@ def get_transformations(self, assembly_id):
             chain_ids = np.array(self._file["chainNameList"], dtype="U4")
             affected_chain_ids = chain_ids[transform["chainIndexList"]]
             transformations.append((
-                affected_chain_ids,
+                affected_chain_ids.tolist(),
                 matrix[:3, :3].tolist(),
                 matrix[:3, 3].tolist()
             ))

MolecularNodes/assembly/pdb.py

@@ -81,9 +81,9 @@ def get_transformations(self, assembly_id):
             )
             for rotation, translation in zip(rotations, translations):
                 transformations.append((
-                    np.array(affected_chain_ids, dtype="U4"),
-                    rotation,
-                    translation
+                    np.array(affected_chain_ids, dtype="U4").tolist(),
+                    rotation.tolist(),
+                    translation.tolist()
                 ))
 
         return transformations

MolecularNodes/obj.py

@@ -84,11 +84,11 @@ def add_attribute(object: bpy.types.Object, name: str, data, type="FLOAT", domai
         att = object.data.attributes.new(name, type, domain)
         # currently vectors have to be added as a 1d array. may change in the future
         # but currently must be reshaped then added as a 'vector' but supplying a 1d array
-        vec_1d = data.reshape(len(data) * 3)
+        vec_1d = data.reshape(len(data) * 3).copy(order = 'c')
         att.data.foreach_set('vector', vec_1d)
     else:
         att = object.data.attributes.new(name, type, domain)
-        att.data.foreach_set('value', data)
+        att.data.foreach_set('value', data.copy(order = 'c'))
 
     return att
 

pyproject.toml

@@ -15,7 +15,7 @@ authors = [
 description = "Toolbox for molecular animations with Blender and Geometry Nodes."
 requires-python = ">=3.10.0"
 dependencies = [
-    "bpy",
+    "bpy>=3.5.0",
     "MDAnalysis==2.5.0",
     "biotite==0.37.0",
     "mrcfile",

tests/test_load.py

@@ -172,7 +172,6 @@ def test_1cd3_bio_assembly(snapshot):
     # Results shows the same number of atoms and atom positions are resulting from the 
     # different import methods so it still works
     positions = [np.sort(mn.obj.get_attribute(obj, 'position'), axis = 0, kind = 'quicksort')[::-1] for obj in objects]
-    print(positions)
     assert np.allclose(positions[0], positions[1], atol = 1e-4)
 
     # TODO: for some reason when opening from .CIF files, we are ending up with double the