Esempi in Python per Header.from_cif_file

Esempio n. 1

File: test_feffio.py Progetto: georgeyumnam/pymatgen

 def test_get_string(self):
     cif_file = os.path.join(test_dir, 'CoO19128.cif')
     h = Header.from_cif_file(cif_file)
     head = str(h)
     self.assertEqual(head.splitlines()[3].split()[-1],
                      HeaderTest.header_string.splitlines()[3].split()[-1],
                      "Failed to generate HEADER from structure")

Esempio n. 2

 def test_get_string(self):
     cif_file = os.path.join(test_dir, 'CoO19128.cif')
     h = Header.from_cif_file(cif_file)
     head = str(h)
     self.assertEqual(head.splitlines()[3].split()[-1],
                      HeaderTest.header_string.splitlines()[3].split()[-1],
                      "Failed to generate HEADER from structure")