mordred.CarbonTypes module¶

class mordred.CarbonTypes.CarbonTypes(nCarbon=1, SP=3)[source]¶

Bases: mordred._carbon_types.CarbonTypesBase

carbon types descriptor.

Parameters:	nCarbon (int) – count n-carbon bonded carbon SP (int) – count \({\rm SP}n\) carbon

explicit_hydrogens = False¶

gasteiger_charges = False¶

kekulize = True¶

require_connected = False¶

rtype¶

alias of int

class mordred.CarbonTypes.HybridizationRatio[source]¶

Bases: mordred._carbon_types.CarbonTypesBase

hybridization ratio descriptor.

\[{\rm HybRatio} = \frac{N_{\rm SP3}}{N_{\rm SP2} + N_{\rm SP3}}\]

Returns:	NaN when \(N_{\rm SP2} + N_{\rm SP3} = 0\).

explicit_hydrogens = False¶

gasteiger_charges = False¶

kekulize = True¶

require_connected = False¶

rtype¶

alias of float