def test_get_conversion_factor(self): filepath = os.path.join(test_dir, 'LiFePO4.cif') s = Structure.from_file(filepath) # large tolerance because scipy constants changed between 0.16.1 and 0.17 self.assertAlmostEqual(41370704.343540139, get_conversion_factor(s, "Li", 600), delta=20)
def test_get_conversion_factor(self): filepath = os.path.join(PymatgenTest.TEST_FILES_DIR, "LiFePO4.cif") s = Structure.from_file(filepath) # large tolerance because scipy constants changed between 0.16.1 and 0.17 self.assertAlmostEqual(41370704.343540139, get_conversion_factor(s, "Li", 600), delta=20)
def test_get_conversion_factor(self): filepath = os.path.join(test_dir, 'LiFePO4.cif') s = read_structure(filepath) self.assertAlmostEqual(41370704.1173, get_conversion_factor(s, "Li", 600), 4)
def test_get_conversion_factor(self): filepath = os.path.join(test_dir, 'LiFePO4.cif') s = Structure.from_file(filepath) self.assertAlmostEqual(41370704.1173, get_conversion_factor(s, "Li", 600), 4)
def test_get_conversion_factor(self): filepath = os.path.join(test_dir, 'LiFePO4.cif') s = Structure.from_file(filepath) self.assertAlmostEqual(41370704.343540139, get_conversion_factor(s, "Li", 600), 4)