Source code for mordred.DistanceMatrix

from ._base import Descriptor
from ._graph_matrix import DistanceMatrix as D
from ._matrix_attributes import methods, get_method

__all__ = ('DistanceMatrix',)


[docs]class DistanceMatrix(Descriptor): r"""distance matrix descriptor. :type type: str :param type: :ref:`matrix_aggregating_methods` """ __slots__ = ('_type',) explicit_hydrogens = False @classmethod def preset(cls): return map(cls, methods) def __str__(self): return '{}_D'.format(self._type.__name__)
[docs] def parameters(self): return self._type,
def __init__(self, type='SpMax'): self._type = get_method(type) def dependencies(self): return { 'result': self._type( D(self.explicit_hydrogens), self.explicit_hydrogens, self.kekulize, ) } def calculate(self, result): return result rtype = float