pymatgen.analysis.chemenv.utils.chemenv_errors — pymatgen 2020.7.3 documentation

# Source code for pymatgen.analysis.chemenv.utils.chemenv_errors

    # coding: utf-8
    # Copyright (c) Pymatgen Development Team.
    # Distributed under the terms of the MIT License.

    """
    This module contains the error classes for the chemenv package.
    """

    __author__ = "David Waroquiers"
    __copyright__ = "Copyright 2012, The Materials Project"
    __credits__ = "Geoffroy Hautier"
    __version__ = "2.0"
    __maintainer__ = "David Waroquiers"
    __email__ = "david.waroquiers@gmail.com"
    __date__ = "Feb 20, 2016"

    class AbstractChemenvError(Exception):
        def __init__(self, cls, method, msg):
            self.cls = cls
            self.method = method
            self.msg = msg

        def __str__(self):
            return str(self.cls) + ': ' + self.method + '\n' + repr(self.msg)

    class ClassTypeChemenvError(AbstractChemenvError):
        def __init__(self, object, classtype):
            self.object = object
            self.classtype = classtype

        def __str__(self):
            return '"{}" expected, {} found\n'.format(self.classtype.__name__, self.object.__class__.__name__)

    class NeighborsNotComputedChemenvError(AbstractChemenvError):
        def __init__(self, site):
            self.site = site

        def __str__(self):
            return 'The neighbors were not computed for the following site : \n' + str(self.site)

    class BVAValencesNotFoundChemenvError(AbstractChemenvError):
        def __init__(self, structure):
            self.structure = structure

        def __str__(self):
            return 'The valences were not found for the following structure : \n' + \
                   self.structure.composition.reduced_formula

    class ChemenvStrategyError(AbstractChemenvError):
        def __init__(self, cls, method, msg):
            self.cls = cls
            self.method = method
            self.msg = msg

        def __str__(self):
            return str(self.cls) + ': ' + self.method + '\n' + repr(self.msg)

    class InitializationChemenvError(AbstractChemenvError):
        def __init__(self, cls):
            self.cls = cls

        def __str__(self):
            return 'There is some missing arguments for the initialization of a {} object'.format(self.cls)

    class EquivalentSiteSearchError(AbstractChemenvError):
        def __init__(self, site):
            self.site = site

        def __str__(self):
            return 'Equivalent site could not be found for the following site : {}'.format(str(self.site))

    class VoronoiParametersError(AbstractChemenvError):
        def __init__(self, vp):
            self.vp = vp

        def __str__(self):
            return 'The list of Voronoi parameters does not contain the following set of parameters :\n' \
                   ' - distfactor : {},\n' \
                   ' - angfactor : {},\n' \
                   ' - only_anion_cation_bond : {}'.format(self.vp.distance_parameter, self.vp.angle_parameter,
                                                           self.vp.only_anion_cation_bond)

    class SolidAngleError(AbstractChemenvError):
        def __init__(self, cosinus):
            self.cosinus = cosinus

        def __str__(self):
            return 'Value of cosinus ({}) from which an angle should be retrieved' \
                   'is not between -1.0 and 1.0'.format(self.cosinus)

    class RatioFunctionError(AbstractChemenvError):
        def __init__(self, function):
            self.function = function

        def __str__(self):
            return 'Function "{}" is not allowed as a ratio function.'.format(self.function)

    class PenaltyFunctionError(AbstractChemenvError):
        def __init__(self, function):
            self.function = function

        def __str__(self):
            return 'Function "{}" is not possible.'.format(self.function)

    class ChemenvError(Exception):
        def __init__(self, cls, method, msg):
            self.cls = cls
            self.method = method
            self.msg = msg

        def __str__(self):
            return str(self.cls) + ': ' + self.method + '\n' + repr(self.msg)