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