CDPL.ForceField.MolecularGraphProperty Class Reference

Provides keys for built-in Chem.MolecularGraph properties. More...

Inheritance diagram for CDPL.ForceField.MolecularGraphProperty:

Static Public Attributes
	MMFF94_AROMATIC_RINGS = CDPL.Base.LookupKey('MMFF94_AROMATIC_RINGS')
	Specifies the list of rings that are considered aromatic according to the MMFF94 aromaticity model. More...

Detailed Description

Provides keys for built-in Chem.MolecularGraph properties.

Member Data Documentation

MMFF94_AROMATIC_RINGS

CDPL.ForceField.MolecularGraphProperty.MMFF94_AROMATIC_RINGS = CDPL.Base.LookupKey('MMFF94_AROMATIC_RINGS')

static

Specifies the list of rings that are considered aromatic according to the MMFF94 aromaticity model.

Value Type: Chem.FragmentList.SharedPointer