Python get_bond_coordinates Exemples

Exemple #1

 def test_get_bond_coord_with_coordinates(self):
     """Should create numpy.arrays in result"""
     result = topology_graph.get_bond_coordinates(self.a)
     first = result[0]
     self.assertTrue(isinstance(first, topology_graph.BondTopology))
     self.assertTrue(isinstance(first[0], ndarray))
     self.assertTrue(isinstance(first[1], ndarray))

Exemple #2

 def test_get_bond_coord_singleresi(self):
     result = topology_graph.get_bond_coordinates(self.a)
     self.assertEqual(len(result), 24)

Exemple #3

 def test_get_bond_coord_struc(self):
     result = topology_graph.get_bond_coordinates(self.t)
     self.assertEqual(len(result), 360)

Exemple #4

 def test_get_bond_coordinates(self):
     """Should create a list of BondTopology objects."""
     result = topology_graph.get_bond_coordinates(self.t)
     self.assertTrue(isinstance(result, list))
     self.assertTrue(len(result) > 0)