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 aromatic rings used by the MMFF94 force field. 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 aromatic rings used by the MMFF94 force field.

Value Type: Chem::FragmentList::SharedPointer