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/ConfGen/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::ConfGen | |
Contains classes and functions related to conformer ensemble generation. | |
Functions | |
CDPL_CONFGEN_API bool | CDPL::ConfGen::isFragmentLinkBond (const Chem::Bond &bond, const Chem::MolecularGraph &molgraph) |
CDPL_CONFGEN_API bool | CDPL::ConfGen::isRotatableBond (const Chem::Bond &bond, const Chem::MolecularGraph &molgraph, bool het_h_rotors) |
Declaration of functions that operate on Chem::Bond instances.