add unit tests for graphene surface

cmelab · Oct 3, 2023 · 6b4e33b · 6b4e33b
1 parent dee97a3
commit 6b4e33b
Showing 1 changed file with 21 additions and 0 deletions.
diff --git a/hoomd_organics/tests/library/test_surfaces.py b/hoomd_organics/tests/library/test_surfaces.py
@@ -0,0 +1,21 @@
+from hoomd_organics.library import Graphene
+
+
+class TestSurfaces:
+    def test_create_graphene_surface(self):
+        surface = Graphene(
+            x_repeat=2,
+            y_repeat=2,
+            n_layers=3,
+            periodicity=(False, False, False),
+        )
+        assert surface.n_particles == 4 * 2 * 2 * 3
+        assert surface.n_bonds == 54
+
+    def test_graphene_with_periodicity(self):
+        surface = Graphene(
+            x_repeat=2, y_repeat=2, n_layers=3, periodicity=(True, True, False)
+        )
+        assert surface.n_particles == 4 * 2 * 2 * 3
+        assert surface.periodicity == (True, True, False)
+        assert surface.n_bonds == 72