def test_distance_crit_non_periodic(self):
dc = pair_criteria.DistanceCriterion(cut_off=0.1)
# Non-periodic system. Particles out of range
self.es.periodicity = (0, 0, 0)
self.assertTrue(not dc.decide(self.p1, self.p2))
self.assertTrue(not dc.decide(self.p1.id, self.p2.id))
def test_distance_crit_periodic(self):
dc = pair_criteria.DistanceCriterion(cut_off=0.1)
# Interface
self.assertEqual(list(dc.get_params().keys()), ["cut_off", ])
self.assertTrue(abs(dc.get_params()["cut_off"] - 0.1) < self.epsilon)
# Decisions
# Periodic system. Particles in range via minimum image convention
self.es.periodicity = (1, 1, 1)
self.assertTrue(dc.decide(self.p1, self.p2))
self.assertTrue(dc.decide(self.p1.id, self.p2.id))