Chemical Data Processing Library C++ API - Version 1.1.1
Namespaces | Functions
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.