Merge pull request #249 from orioncohen/tiling

Add a lattice parameter to Scene

Author: mkhorton

crystal_toolkit/core/scene.py

@@ -46,6 +46,7 @@ class Scene:
     contents: list = field(default_factory=list)
     origin: List[float] = field(default=(0, 0, 0))
     visible: bool = True
+    lattice: Optional[List[List[float]]] = None
     _meta: Dict = None
 
     def __add__(self, other):
@@ -62,6 +63,7 @@ def __add__(self, other):
             contents=self.contents + other.contents,
             origin=self.origin,
             visible=self.visible,
+            lattice=self.lattice,
             _meta={self.name: self._meta, other.name: other._meta},
         )
 
@@ -92,6 +94,7 @@ def to_json(self):
             name=self.name,
             contents=self.merge_primitives(self.contents),
             origin=self.origin,
+            lattice=self.lattice,
         )
 
         def remove_defaults(scene_dict):

crystal_toolkit/core/tests/test_legend.py

@@ -171,3 +171,10 @@ def test_msonable(self):
         legend_from_dict = Legend.from_dict(legend_dict)
 
         assert legend.get_legend() == legend_from_dict.get_legend()
+
+    def test_get_tiling(self):
+        scene = self.struct.get_scene()
+        assert hasattr(scene, 'lattice')
+        assert scene.lattice == [[5.0, 0, 0],
+                                 [0, 5.0, 0],
+                                 [0, 0, 5.0]]

crystal_toolkit/renderables/structure.py

@@ -95,16 +95,18 @@ def get_structure_scene(
                 site.lattice,
                 properties=site.properties,
             )
-
         site_scene = site.get_scene(legend=legend,)
         for scene in site_scene.contents:
             primitives[scene.name] += scene.contents
 
     primitives["unit_cell"].append(self.lattice.get_scene())
 
+    lattice_vectors = self.lattice.matrix.tolist()
+
     return Scene(
         name="Structure",
         origin=origin,
+        lattice=lattice_vectors,
         contents=[
             Scene(name=k, contents=v, origin=origin) for k, v in primitives.items()
         ],