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

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

#include <cstddef>
#include "CDPL/MolProp/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::MolProp
 Contains classes and functions related to the calculation/preciction of physicochemical molecular properties.
 

Functions

CDPL_MOLPROP_API std::size_t CDPL::MolProp::getExplicitBondCount (const Chem::BondContainer &cntnr)
 
CDPL_MOLPROP_API std::size_t CDPL::MolProp::getExplicitBondCount (const Chem::BondContainer &cntnr, std::size_t order, bool inc_aro=true)
 
CDPL_MOLPROP_API std::size_t CDPL::MolProp::getExplicitHydrogenBondCount (const Chem::BondContainer &cntnr)
 
CDPL_MOLPROP_API std::size_t CDPL::MolProp::getExplicitChainBondCount (const Chem::BondContainer &cntnr)
 
CDPL_MOLPROP_API std::size_t CDPL::MolProp::getRingBondCount (const Chem::BondContainer &cntnr)
 
CDPL_MOLPROP_API std::size_t CDPL::MolProp::getAromaticBondCount (const Chem::BondContainer &cntnr)
 
CDPL_MOLPROP_API std::size_t CDPL::MolProp::getHeavyBondCount (const Chem::BondContainer &cntnr)
 

Detailed Description

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