Source code for molsysmt.form.molsysmt_MolecularMechanics.has_attribute

from molsysmt._private.digestion import digest



@digest(form='molsysmt.MolecularMechanics')
def has_attribute(molecular_system, attribute, include_none=False, skip_digestion=False):

    from . import attributes

    output = attributes[attribute]

    if not include_none:

        ###
        ### MECHANICAL ATTRIBUTES
        ###

        if attribute=='formal_charge':
            if molecular_system.formal_charge is None:
                output = False

        elif attribute=='partial_charge':
            if molecular_system.partial_charge is None:
                output = False

        elif attribute=='forcefield':
            if molecular_system.forcefield is None:
                output = False

        elif attribute=='non_bonded_method':
            if molecular_system.non_bonded_method is None:
                output = False

        elif attribute=='cutoff_distance':
            if molecular_system.cutoff_distance is None:
                output = False

        elif attribute=='switch_distance':
            if molecular_system.switch_distance is None:
                output = False

        elif attribute=='dispersion_correction':
            if molecular_system.dispersion_correction is None:
                output = False

        elif attribute=='ewald_error_tolerance':
            if molecular_system.ewald_error_tolerance is None:
                output = False

        elif attribute=='hydrogen_mass':
            if molecular_system.hydrogen_mass is None:
                output = False

        elif attribute=='constraints':
            if molecular_system.constraints is None:
                output = False

        elif attribute=='flexible_constraints':
            if molecular_system.flexible_constraints is None:
                output = False

        elif attribute=='water_model':
            if molecular_system.water_model is None:
                output = False

        elif attribute=='rigid_water':
            if molecular_system.rigid_water is None:
                output = False

        elif attribute=='implicit_solvent':
            if molecular_system.implicit_solvent is None:
                output = False

        elif attribute=='solute_dielectric':
            if molecular_system.solute_dielectric is None:
                output = False

        elif attribute=='solvent_dielectric':
            if molecular_system.solvent_dielectric is None:
                output = False

        elif attribute=='salt_concentration':
            if molecular_system.salt_concentration is None:
                output = False

        elif attribute=='kappa':
            if molecular_system.kappa is None:
                output = False

    return output