support repeat of volumetric data (#192)

batoms/batoms.py

@@ -943,8 +943,8 @@ def __imul__(self, m):
         # self.set_frames(frames_new)
         self.cell.repeat(m)
         self.update_gn_cell()
-        # if self.volumetric_data is not None:
-        # self.volumetric_data = np.tile(self.volumetric_data, m)
+        if self.volumetric_data is not None:
+            self._volumetric_data *= m
         self.species.update_geometry_node()
         if self._boundary is not None:
             self.boundary.update()

batoms/volumetric_data.py

@@ -90,6 +90,8 @@ def build_object(self, setting, volume):
         name = "{}_volume_{}".format(self.label, setting.name)
         if name in bpy.data.objects:
             bpy.data.objects.remove(bpy.data.objects[name], do_unlink=True)
+        if name in bpy.data.meshes:
+            bpy.data.meshes.remove(bpy.data.meshes[name], do_unlink=True)
         shape = volume.shape
         volume = volume.reshape(-1, 1)
         npoint = len(volume)
@@ -98,11 +100,12 @@ def build_object(self, setting, volume):
         dn = 3 - npoint % 3
         verts = np.append(volume, np.zeros((dn, 1)), axis=0)
         verts = verts.reshape(-1, 3)
-        mesh = bpy.data.meshes.new("%s_volume" % self.label)
+        mesh = bpy.data.meshes.new(name)
         mesh.from_pydata(verts, [], [])
         mesh.update()
         obj = bpy.data.objects.new(name, mesh)
         obj.data = mesh
+        obj.parent = self.parent.obj
         obj.batoms.type = 'VOLUME'
         obj.batoms.volume.shape = shape
         self.coll.objects.link(obj)
@@ -134,6 +137,12 @@ def get_volume(self, name):
         # print('Read volume: {0:1.2f}'.format(time() - tstart))
         return volume
 
+    def __imul__(self, m):
+        import numpy as np
+        for volume in self.bpy_setting:
+            data = self[volume.name]
+            self[volume.name] = np.tile(data, m)
+        return self
 
     def __repr__(self) -> str:
         s = "-"*60 + "\n"

tests/test_volumetric_data.py

@@ -82,3 +82,13 @@ def test_ops_create():
         operator='Minus')
     assert h2o.coll.batoms.ui_list_index_volumetric_data == 2
     assert np.isclose(h2o.volumetric_data['diff'], 0).all()
+
+def test_repeat():
+    from batoms.bio.bio import read
+    bpy.ops.batoms.delete()
+    h2o = read("../tests/datas/h2o-homo.cube")
+    shape = h2o.volumetric_data["h2o_homo"].shape
+    M = [2, 2, 1]
+    h2o._volumetric_data *= M
+    new_shape = h2o.volumetric_data["h2o_homo"].shape
+    assert list(new_shape) == [shape[i]*M[i] for i in range(3)]