init commit for test_cgr_cache

tests/test_cgr_cache.py

@@ -0,0 +1,31 @@
+import numpy as np
+from ase import Atoms
+from time import perf_counter
+
+
+a = 3
+b = c = 1
+
+def generate_frame(l1, l2, l3):
+    n_tot = l1 * l2 * l3
+    positions = np.asarray(
+        [[i, j, 3 * k] for i in range(l1) for j in range(l2) for k in range(l3)]
+    )
+
+    frame = Atoms(positions=positions, numbers=[0] * n_tot)
+    frame.arrays["quaternions"] = np.array([[1, 0, 0, 0]] * n_tot)
+    frame.arrays[r"c_diameter\[1\]"] = a * np.ones(n_tot)
+    frame.arrays[r"c_diameter\[2\]"] = b * np.ones(n_tot)
+    frame.arrays[r"c_diameter\[3\]"] = c * np.ones(n_tot)
+
+    frame.arrays[r"c_diameter[1]"] = a * np.ones(n_tot)
+    frame.arrays[r"c_diameter[2]"] = b * np.ones(n_tot)
+    frame.arrays[r"c_diameter[3]"] = c * np.ones(n_tot)
+
+    return [frame]
+
+
+class TestCGRCache:
+
+    def test_cgr(self):
+        pass