diff --git a/unittest/python/python-numpy.py b/unittest/python/python-numpy.py index 3306aba1cd..f09028fa5e 100644 --- a/unittest/python/python-numpy.py +++ b/unittest/python/python-numpy.py @@ -51,6 +51,33 @@ class PythonNumpy(unittest.TestCase): else: return 0 + def checkAngle(self, vals, atype, aatom1, aatom2, aatom3): + set1 = {aatom1, aatom2, aatom3} + set2 = {vals[1], vals[2], vals[3]} + if len(set1.intersection(set2)) == 3: + self.assertEqual(vals[0], atype) + return 1 + else: + return 0 + + def checkDihedral(self, vals, dtype, datom1, datom2, datom3, datom4): + set1 = {datom1, datom2, datom3, datom4} + set2 = {vals[1], vals[2], vals[3], vals[4]} + if len(set1.intersection(set2)) == 4: + self.assertEqual(vals[0], dtype) + return 1 + else: + return 0 + + def checkImproper(self, vals, itype, iatom1, iatom2, iatom3, iatom4): + set1 = {iatom1, iatom2, iatom3, iatom4} + set2 = {vals[1], vals[2], vals[3], vals[4]} + if len(set1.intersection(set2)) == 4: + self.assertEqual(vals[0], itype) + return 1 + else: + return 0 + def testLammpsPointer(self): self.assertEqual(type(self.lmp.lmp), c_void_p)