mordred.ABCIndex module¶

References

• [Fur16]

class mordred.ABCIndex.ABCIndex[source]¶

Bases: mordred.ABCIndex.ABCIndexBase

atom-bond connectivity indez descriptor.

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

explicit_hydrogens = False¶

fail(exception)¶

raise known exception and return missing value

kekulize = False¶

mol¶

get molecule

parameters()¶

require_3D = False¶

require_connected = False¶

rethrow_na(exception)¶

treat any exceptions as known exception

rethrow_zerodiv()¶

treat zero div as known exception

rtype¶

alias of float

class mordred.ABCIndex.ABCGGIndex[source]¶

Bases: mordred.ABCIndex.ABCIndexBase

Graovac-Ghorbani atom-bond connectivity index descriptor.

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

explicit_hydrogens = False¶

fail(exception)¶

raise known exception and return missing value

kekulize = False¶

mol¶

get molecule

parameters()¶

require_3D = False¶

require_connected = False¶

rethrow_na(exception)¶

treat any exceptions as known exception

rethrow_zerodiv()¶

treat zero div as known exception

rtype¶

alias of float