mordred.KappaShapeIndex module¶

class mordred.KappaShapeIndex.KappaShapeIndex1[source]¶

Bases: mordred.KappaShapeIndex.KappaShapeIndexBase

Kappa shape index 1 descriptor.

Returns:	NaN when \(N_{\rm Chi-path} = 0\)

explicit_hydrogens = False¶

kekulize = False¶

require_3D = False¶

require_connected = False¶

rtype¶: alias of float

class mordred.KappaShapeIndex.KappaShapeIndex2[source]¶

Bases: mordred.KappaShapeIndex.KappaShapeIndexBase

Kappa shape index 2 descriptor.

Returns:	NaN when \(N_{\rm Chi-path} = 0\)

explicit_hydrogens = False¶

kekulize = False¶

require_3D = False¶

require_connected = False¶

rtype¶: alias of float

class mordred.KappaShapeIndex.KappaShapeIndex3[source]¶

Bases: mordred.KappaShapeIndex.KappaShapeIndexBase

Kappa shape index 3 descriptor.

Returns:	NaN when \(N_{\rm Chi-path} = 0\)

explicit_hydrogens = False¶

kekulize = False¶

require_3D = False¶

require_connected = False¶

rtype¶: alias of float