CDPL::ForceField::MolecularGraphProperty Namespace Reference

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

Variables
CDPL_FORCEFIELD_API const 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.

Variable Documentation

MMFF94_AROMATIC_RINGS

CDPL_FORCEFIELD_API const Base::LookupKey CDPL::ForceField::MolecularGraphProperty::MMFF94_AROMATIC_RINGS

extern

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

Value Type: Chem::FragmentList::SharedPointer

See also

[MMFF94]