"""Global variables used across the package.""" import pathlib # Dirs ROOT_DIR = pathlib.Path(__file__).parent.absolute() REPO_DIR = ROOT_DIR.parent DATA_DIR = REPO_DIR / 'data' TEST_RESULTS_DIR = REPO_DIR / 'experiments' ASSETS_DIR = REPO_DIR / 'assets' # C CHEM_ELEMS_SMALL = ['H', 'C', 'O', 'N', 'P', 'S', 'Cl', 'F', 'Br', 'I', 'B', 'As', 'Si', 'Se'] MSGYM_FORMULA_VECTOR_NORM = [102.0, 59.0, 25.0, 13.0, 3.0, 6.0, 6.0, 17.0, 4.0, 4.0, 1.0, 1.0, 5.0, 2.0] #MSGYM standardization MSGYM_STANDARD_MH = { 'mz_mean': 195.155185, 'mz_std':127.591549 } MSGYM_STANDARD_all = { # got these from Yinkai "mz_mean": 80.88304948022557, "mz_std" : 197.4588028571758}