def test_default(self): ''' test initializer with default input ''' # o = system.Atom() self.assertEqual(o.id(), 0) self.assertEqual(o.total_mass(), 0.0) self.assertEqual(o.natoms(), 0) self.assertEqual(o.mass(), None) self.assertEqual(o.coor(), None) self.assertEqual(o.com(), None)
def test_id(self): ''' test initializer with id ''' # id = 3 o = system.Atom(id) self.assertEqual(o.id(), id) self.assertEqual(o.total_mass(), 0.0) self.assertEqual(o.natoms(), 0) self.assertEqual(o.mass(), None) self.assertEqual(o.coor(), None) self.assertEqual(o.com(), None)
def setUp(self): self.o=system.Atom(3,'1CRN-3frames.pdb')
def setUp(self): self.o=system.Atom(id=3,filename='1CRN-3frames.pdb')