Finishes DiceInterface Refactoring and Continues Tests Implementation

This commit is contained in:
2023-04-24 12:15:51 -03:00
parent b869ee74fb
commit 9202331852
19 changed files with 629 additions and 190 deletions

View File

@@ -26,25 +26,6 @@ class TestSystem(unittest.TestCase):
system.add_type('test', Molecule('test'))
self.assertEqual(ex.exception, 'Error: nmols is not an integer')
def test_center_of_mass_distance(self):
system = System()
a = Molecule('test')
a.add_atom(
Atom(lbl=0, na=1, rx=0, ry=0, rz=0, chg=0, eps=0, sig=0)
)
system.add_type(1, a)
b = Molecule('test')
b.add_atom(
Atom(lbl=0, na=1, rx=0, ry=0, rz=0, chg=0, eps=0, sig=0)
)
system.add_type(1, b)
self.assertIsInstance(system.center_of_mass_distance(0, 1), float)
if __name__ == '__main__':
unittest.main()