Chemical Data Processing Library C++ API - Version 1.2.0
CDPL::MolProp::PEOESigmaChargeCalculator Member List

This is the complete list of members for CDPL::MolProp::PEOESigmaChargeCalculator, including all inherited members.

calculate(const Chem::MolecularGraph &molgraph)CDPL::MolProp::PEOESigmaChargeCalculator
DEF_DAMPING_FACTORCDPL::MolProp::PEOESigmaChargeCalculatorstatic
DEF_NUM_ITERATIONSCDPL::MolProp::PEOESigmaChargeCalculatorstatic
getCharge(std::size_t idx) constCDPL::MolProp::PEOESigmaChargeCalculator
getDampingFactor() constCDPL::MolProp::PEOESigmaChargeCalculator
getElectronegativity(std::size_t idx) constCDPL::MolProp::PEOESigmaChargeCalculator
getNumIterations() constCDPL::MolProp::PEOESigmaChargeCalculator
MHMOPiChargeCalculator classCDPL::MolProp::PEOESigmaChargeCalculatorfriend
operator=(const PEOESigmaChargeCalculator &)=deleteCDPL::MolProp::PEOESigmaChargeCalculator
PEOESigmaChargeCalculator()CDPL::MolProp::PEOESigmaChargeCalculator
PEOESigmaChargeCalculator(const PEOESigmaChargeCalculator &)=deleteCDPL::MolProp::PEOESigmaChargeCalculator
PEOESigmaChargeCalculator(const Chem::MolecularGraph &molgraph)CDPL::MolProp::PEOESigmaChargeCalculator
setDampingFactor(double factor)CDPL::MolProp::PEOESigmaChargeCalculator
setNumIterations(std::size_t num_iter)CDPL::MolProp::PEOESigmaChargeCalculator
SharedPointer typedefCDPL::MolProp::PEOESigmaChargeCalculator
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