ForceField/BondFunctions.hpp File Reference

Declaration of functions that operate on Chem::Bond instances. More...

#include "CDPL/ForceField/APIPrefix.hpp"

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Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::ForceField
	Contains classes and functions related to molecular force fields.

Functions
CDPL_FORCEFIELD_API unsigned int	CDPL::ForceField::getMMFF94TypeIndex (const Chem::Bond &bond)
CDPL_FORCEFIELD_API void	CDPL::ForceField::setMMFF94TypeIndex (Chem::Bond &bond, unsigned int type_idx)
CDPL_FORCEFIELD_API void	CDPL::ForceField::clearMMFF94TypeIndex (Chem::Bond &bond)
CDPL_FORCEFIELD_API bool	CDPL::ForceField::hasMMFF94TypeIndex (const Chem::Bond &bond)

Detailed Description

Declaration of functions that operate on Chem::Bond instances.