def test_diff_json_files(tmp_path): tmp_path = str(tmp_path) # Needed for python 3.5 filename1 = '6-31G_s_s-full.json.bz2' filename2 = '6-31G-full.json.bz2' file1 = os.path.join(test_data_dir, filename1) file2 = os.path.join(test_data_dir, filename2) tmpfile1 = os.path.join(tmp_path, filename1) tmpfile2 = os.path.join(tmp_path, filename2) shutil.copyfile(file1, tmpfile1) shutil.copyfile(file2, tmpfile2) curate.diff_json_files([tmpfile1], [tmpfile2]) curate.diff_json_files([tmpfile2], [tmpfile1]) diff1 = fileio.read_json_basis(tmpfile1 + '.diff') diff2 = fileio.read_json_basis(tmpfile2 + '.diff') assert len(diff1['elements']) == 36 assert len(diff2['elements']) == 0 reffilename = '6-31G_s_s-polarization.json.bz2' reffile = os.path.join(test_data_dir, reffilename) refdata = fileio.read_json_basis(reffile) assert curate.compare_basis(diff1, refdata, rel_tol=0.0)
def test_diff_json_files_same(tmp_path): tmp_path = str(tmp_path) # Needed for python 3.5 filename = 'def2-SV-base.1.json' file1 = os.path.join(data_dir, 'ahlrichs', 'SV', filename) tmpfile = os.path.join(tmp_path, filename) shutil.copyfile(file1, tmpfile) curate.diff_json_files([tmpfile], [tmpfile]) diff_file = tmpfile + '.diff' assert os.path.isfile(diff_file) diff_data = fileio.read_json_basis(diff_file) assert len(diff_data['elements']) == 0