Chemical Data Processing Library C++ API - Version 1.2.0
CDPL::Descr::MoleculeRDFDescriptorCalculator Member List

This is the complete list of members for CDPL::Descr::MoleculeRDFDescriptorCalculator, including all inherited members.

Atom3DCoordinatesFunction typedefCDPL::Descr::MoleculeRDFDescriptorCalculator
AtomPairWeightFunction typedefCDPL::Descr::MoleculeRDFDescriptorCalculator
calculate(const Chem::AtomContainer &cntnr, Math::DVector &descr)CDPL::Descr::MoleculeRDFDescriptorCalculator
distanceToIntervalsCenterRoundingEnabled() constCDPL::Descr::MoleculeRDFDescriptorCalculator
enableDistanceToIntervalCenterRounding(bool enable)CDPL::Descr::MoleculeRDFDescriptorCalculator
getNumSteps() constCDPL::Descr::MoleculeRDFDescriptorCalculator
getRadiusIncrement() constCDPL::Descr::MoleculeRDFDescriptorCalculator
getScalingFactor() constCDPL::Descr::MoleculeRDFDescriptorCalculator
getSmoothingFactor() constCDPL::Descr::MoleculeRDFDescriptorCalculator
getStartRadius() constCDPL::Descr::MoleculeRDFDescriptorCalculator
MoleculeRDFDescriptorCalculator()CDPL::Descr::MoleculeRDFDescriptorCalculator
MoleculeRDFDescriptorCalculator(const Chem::AtomContainer &cntnr, Math::DVector &descr)CDPL::Descr::MoleculeRDFDescriptorCalculator
setAtom3DCoordinatesFunction(const Atom3DCoordinatesFunction &func)CDPL::Descr::MoleculeRDFDescriptorCalculator
setAtomPairWeightFunction(const AtomPairWeightFunction &func)CDPL::Descr::MoleculeRDFDescriptorCalculator
setNumSteps(std::size_t num_steps)CDPL::Descr::MoleculeRDFDescriptorCalculator
setRadiusIncrement(double radius_inc)CDPL::Descr::MoleculeRDFDescriptorCalculator
setScalingFactor(double factor)CDPL::Descr::MoleculeRDFDescriptorCalculator
setSmoothingFactor(double factor)CDPL::Descr::MoleculeRDFDescriptorCalculator
setStartRadius(double start_radius)CDPL::Descr::MoleculeRDFDescriptorCalculator
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