def test_from_file(self): filename = os.path.join(test_dir, "EDI.xr") xr = Xr.from_file(filename) self.assertIsInstance(xr.structure, Structure) xr2 = Xr.from_file(filename, use_cores=False) self.assertIsInstance(xr2.structure, Structure)
def test_from_file(self): filename = os.path.join(PymatgenTest.TEST_FILES_DIR, "EDI.xr") xr = Xr.from_file(filename) self.assertIsInstance(xr.structure, Structure) xr2 = Xr.from_file(filename, use_cores=False) self.assertIsInstance(xr2.structure, Structure)
def setUp(self): filepath = os.path.join(test_dir, "POSCAR") p = Poscar.from_file(filepath) self.xr = Xr(p.structure)
def setUp(self): filepath = os.path.join(PymatgenTest.TEST_FILES_DIR, "POSCAR") p = Poscar.from_file(filepath) self.xr = Xr(p.structure)