mordred.RotatableBond module¶

class mordred.RotatableBond.RotatableBondsBase[source]¶

Bases: mordred._base.Descriptor

explicit_hydrogens = False¶

gasteiger_charges = False¶

kekulize = False¶

require_connected = False¶

rtype¶

alias of NoneType

class mordred.RotatableBond.RotatableBondsCount[source]¶

Bases: mordred._rotatable_bond.RotatableBondsBase

ratatable bonds count descriptor(rdkit wrapper).

explicit_hydrogens = False¶

gasteiger_charges = False¶

kekulize = False¶

require_connected = False¶

rtype¶

alias of int

class mordred.RotatableBond.RotatableBondsRatio[source]¶

Bases: mordred._rotatable_bond.RotatableBondsBase

rotatable bonds ratio descriptor.

\[{\rm RotRatio} = \frac{N_{\rm rotatable bonds}}{N_{\rm bonds}}\]

Returns:	NaN when \(N_{\rm bonds} = 0\)

explicit_hydrogens = False¶

gasteiger_charges = False¶

kekulize = False¶

require_connected = False¶

rtype¶

alias of float