Source code for aim2dat.strct.ext_analysis.decorator

"""
Decorator for analysis methods that are not hosted in the Structure and StructureOperations class.
"""

# Standard library imports
import inspect
from functools import wraps

# Internal library imports
from aim2dat.strct.strct import _check_calculated_properties



[docs]
def external_analysis_method(func):
    """
    Decorate external analysis methods.
    """

    @wraps(func)
    def perform_strct_analysis(*args, **kwargs):
        sig_pars = inspect.signature(func).parameters
        func_args = {}
        for idx, arg in enumerate(args):
            func_args[list(sig_pars.keys())[idx]] = arg
        func_args.update(kwargs)
        for keyw, par in sig_pars.items():
            if keyw not in func_args and par.default is not par.empty:
                func_args[keyw] = par.default
        structure = func_args.pop("structure")
        return _check_calculated_properties(structure, func, func_args)

    perform_strct_analysis._is_analysis_method = True
    return perform_strct_analysis