Chemical Data Processing Library C++ API - Version 1.1.1
Namespaces | Functions
ConfGen/BondFunctions.hpp File Reference

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)
 

Detailed Description

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