Пример #1
0
 def test_is_atom_long_line_true(self):
     """
     """
     is_an_atom = Shelxfile.is_atom(atomline='O1    3    0.120080   0.336659   0.494426  11.00000   0.01445 ...')
     self.assertEqual(True, is_an_atom)
Пример #2
0
 def test_is_an_atom_short(self):
     is_atom = Shelxfile.is_atom('O1    3    0.120080   0.336659   0.494426')
     self.assertEqual(True, is_atom)
Пример #3
0
 def test_is_no_atom_because_coordinate_is_missing(self):
     is_an_atom = Shelxfile.is_atom(atomline='O1  4  0.120080    0.494426  11.00000   0.01445 ...')
     self.assertEqual(False, is_an_atom)
Пример #4
0
 def test_is_no_atom_because_its_a_command2(self):
     is_atom = Shelxfile.is_atom("AFIX")
     self.assertEqual(False, is_atom)
Пример #5
0
 def test_is_no_atoms_because_type_is_missing(self):
     is_an_atom = Shelxfile.is_atom(atomline='O1    0.120080   0.336659   0.494426  11.00000   0.01445 ...')
     self.assertEqual(False, is_an_atom)