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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 |