from pymatgen.io.cif import CifParser
from pymatgen.symmetry.analyzer import SpacegroupAnalyzer


def get_members(var):
        class_type = var.__class__
        funcs = [method for method in dir(class_type) if callable(getattr(class_type, method))]
        vars = [method for method in dir(class_type) if not callable(getattr(class_type, method))]
        return funcs, vars, getattr(var, "__dict__", None)

def print_variables(varname, var):
    print("")
    print("---------------------------------------------------")
    if var is None:
        print(f"variable {varname} is None")
        return

    var_type = type(var)
    if var_type is int or var_type is float or var_type is bool or var_type is str \
            or var_type is list or var_type is tuple or var_type is dict:
        print(f"variable {varname}: type={var_type} var=", var)
        return

    module_name = getattr(var, '__module__')
    print(f"{module_name} class for variable {varname}:")
    funcs, vars, dict_var = get_members(var)
    print("  functions:")
    for f in funcs:
        try:
            ret = getattr(var, f)()
        except:
            ret = None

        if ret is not None:
            try:
                print(f"    {f}() = ", ret)
            except:
                pass
        else:
            print(f"    {f}()", )
#   print("  vars :", vars)
#   print("  dict_var :", dict_var)
    
    print("")
    print("  Variables:")
    for varname in vars:
        try:
            v = getattr(var, varname)
        except:
            v = None
        if v is not None:
            print(f"    {varname}:", v, type(v))
        else:
            print(f"    {varname}:", 'None')


path = 'SrTiO3.cif'

parser = CifParser(path)
print_variables("parser", parser)

mat = parser.get_structures(primitive = False, symmetrized = False)[0]
#print_variables("mat", mat)

sga = SpacegroupAnalyzer(mat)
#print_variables("sga", sga)

mat_sym = sga.get_symmetrized_structure()
#print_variables("mat_sym", mat_sym)

#lat_SrTiO3 = mat.lattice
#print(lat_SrTiO3)

eq_sites = mat_sym.equivalent_sites
print_variables("eq_sites", eq_sites)

asym_unit = [site[0] for site in eq_sites]
print("mat_sym=", mat_sym)
print("asym_unit=", asym_unit)

print_variables("asym_unit[0]", asym_unit[0])
#print_variables("asym_unit[0]._abc_impl", asym_unit[0]._abc_impl)
print_variables("asym_unit[0].specie", asym_unit[0].specie)
print_variables("asym_unit[0].species", asym_unit[0].species)