Chemical Data Processing Library C++ API - Version 1.1.1
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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) |
Declaration of functions that operate on Chem::Bond instances.