def test_from_path(self): test_dir = os.path.join(PymatgenTest.TEST_FILES_DIR, "bader") analysis = BaderAnalysis.from_path(test_dir) chgcar = os.path.join(test_dir, "CHGCAR.gz") chgref = os.path.join(test_dir, "_CHGCAR_sum.gz") analysis0 = BaderAnalysis(chgcar_filename=chgcar, chgref_filename=chgref) charge = np.array(analysis.summary["charge"]) charge0 = np.array(analysis0.summary["charge"]) self.assertTrue(np.allclose(charge, charge0)) if os.path.exists("CHGREF"): os.remove("CHGREF")