def __init__()

in source/src/molecule-unfolding/utility/QMUQUBO.py [0:0]


    def __init__(self, mol_data, method, **param):

        # prepare parameters
        self.param = param

        self.mol_data = mol_data

        self.name = f"qmu_{self.mol_data.name}_model"

        # init model_info to store the information for model of different methods
        # init model_qubo to store the qubo for model of different methods
        self.model_info = {}
        self.model_qubo = {}
        # define vars/var_rb_map/rb_var_map for different models
        self.var = None
        self.var_rb_map = None
        self.rb_var_map = None

        for mt in method:
            self.model_info[f"{mt}"] = {}
            self.model_qubo[f"{mt}"] = {}

            if mt == "pre-calc":
                logging.info(
                    "initial pre-calculate for constructing molecule QUBO")
                for param in self.param[mt]["param"]:
                    self.model_info[mt][param] = set()
            elif mt == "after-calc":
                logging.info(
                    "initial after calculate for constructing molecule QUBO not implemented !!")
            else:
                logging.info(f"only pre-calculate(method='pre-calc') and after-calculate(method='after-calc') are supported, \
                method {mt} not support !!")