Révision 695dcff8 tests/test_dos_input.py
| b/tests/test_dos_input.py | ||
|---|---|---|
| 96 | 96 |
self.assertEqual(get_molec_file(), 'acetic.xyz') |
| 97 | 97 |
|
| 98 | 98 |
def test_cluster_magns(self): |
| 99 |
self.assertEqual(get_cluster_magns(), ['energy', 'moi'])
|
|
| 99 |
self.assertEqual(get_select_magns(), ['energy', 'moi'])
|
|
| 100 | 100 |
|
| 101 | 101 |
def test_num_conformers(self): |
| 102 | 102 |
self.assertEqual(get_num_conformers(), 100) |
| ... | ... | |
| 169 | 169 |
self.assertRaises(FileNotFoundError, get_isol_inp_file) |
| 170 | 170 |
|
| 171 | 171 |
def test_cluster_magns(self): |
| 172 |
self.assertRaises(ValueError, get_cluster_magns)
|
|
| 172 |
self.assertRaises(ValueError, get_select_magns)
|
|
| 173 | 173 |
|
| 174 | 174 |
def test_num_conformers(self): |
| 175 | 175 |
self.assertRaises(ValueError, get_num_conformers) |
Formats disponibles : Unified diff