Source code for mordred.error

import numpy as np
import six
from abc import ABCMeta, abstractproperty


class MissingValueBase(six.with_metaclass(ABCMeta, object)):
    '''Base class of missing values.

    Args:
        error (Exception): error object
        stack (callstack)
    '''
    __slots__ = 'error', 'stack'

    def __reduce_ex__(self, version):
        return self.__class__, (self.error, self.stack)

    def __init__(self, error, stack):
        self.error = error
        self.stack = stack

    def __float__(self):
        return np.nan

    def __add__(self, other):
        return np.nan

    def __sub__(self, other):
        return np.nan

    def __str__(self):
        return '{} ({})'.format(self.error, '/'.join(str(d) for d in self.stack))

    @abstractproperty
    def header(self):
        '''header of warning message

        Returns:
            str
        '''
        raise NotImplementedError('require header')


class Missing(MissingValueBase):
    '''known errored value'''
    __slots__ = ()
    header = 'Missing'


class Error(MissingValueBase):
    '''unknown errored value'''
    __slots__ = ()
    header = 'ERROR'


class MordredException(Exception):
    __slots__ = ()


class MultipleFragments(MordredException):
    '''multiple fragments detected on require_connected Descriptor.'''
    __slots__ = ()

    def __str__(self):
        return 'multiple fragments'


class Missing3DCoordinate(MordredException):
    '''missing 3D coordinate on require_3D Descriptor.'''
    __slots__ = ()

    def __str__(self):
        return 'missing 3D coordinate'


class DuplicatedDescriptorName(MordredException):
    '''duplicated string replisantation of descriptor'''

    __slots__ = ()

    def __init__(self, a, b):
        self.a = a
        self.b = b

    def __str__(self):
        return 'duplicated descriptor name: {!r} and {!r}'.format(self.a, self.b)