Chemical Data Processing Library C++ API - Version 1.1.1
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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_FACTOR | CDPL::MolProp::PEOESigmaChargeCalculator | static |
DEF_NUM_ITERATIONS | CDPL::MolProp::PEOESigmaChargeCalculator | static |
getCharge(std::size_t idx) const | CDPL::MolProp::PEOESigmaChargeCalculator | |
getDampingFactor() const | CDPL::MolProp::PEOESigmaChargeCalculator | |
getElectronegativity(std::size_t idx) const | CDPL::MolProp::PEOESigmaChargeCalculator | |
getNumIterations() const | CDPL::MolProp::PEOESigmaChargeCalculator | |
MHMOPiChargeCalculator class | CDPL::MolProp::PEOESigmaChargeCalculator | friend |
PEOESigmaChargeCalculator() | CDPL::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 typedef | CDPL::MolProp::PEOESigmaChargeCalculator |