mordred.GravitationalIndex module¶

class mordred.GravitationalIndex.GravitationalIndex(heavy=True, pair=False)[source]¶

Bases: mordred._base.descriptor.Descriptor

require_3D = True¶

explicit_hydrogens¶

parameters()[source]¶

rtype¶

alias of float

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

fail(exception)¶

raise known exception and return missing value

kekulize = False¶

mol¶

get molecule

require_connected = False¶

rethrow_na(exception)¶

treat any exceptions as known exception

rethrow_zerodiv()¶

treat zero div as known exception