コード例 #1
0
 def setUp(self):
     filepath = os.path.join(test_dir, "POSCAR")
     p = Poscar.from_file(filepath)
     self.xr = Xr(p.structure)
コード例 #2
0
 def setUp(self):
     filepath = os.path.join(PymatgenTest.TEST_FILES_DIR, "POSCAR")
     p = Poscar.from_file(filepath)
     self.xr = Xr(p.structure)