Chemical Data Processing Library C++ API - Version 1.1.1
CDPL::ConfGen::ConformerGeneratorSettings Member List

This is the complete list of members for CDPL::ConfGen::ConformerGeneratorSettings, including all inherited members.

addEnergyWindowRange(std::size_t num_rot_bonds, double win_size)CDPL::ConfGen::ConformerGeneratorSettings
addMaxNumOutputConformersRange(std::size_t num_rot_bonds, std::size_t max_num)CDPL::ConfGen::ConformerGeneratorSettings
addMinRMSDRange(std::size_t num_rot_bonds, double min_rmsd)CDPL::ConfGen::ConformerGeneratorSettings
clearEnergyWindowRanges()CDPL::ConfGen::ConformerGeneratorSettings
clearMaxNumOutputConformersRanges()CDPL::ConfGen::ConformerGeneratorSettings
clearMinRMSDRanges()CDPL::ConfGen::ConformerGeneratorSettings
ConformerGeneratorSettings()CDPL::ConfGen::ConformerGeneratorSettings
DEFAULTCDPL::ConfGen::ConformerGeneratorSettingsstatic
enumerateRings(bool enumerate)CDPL::ConfGen::ConformerGeneratorSettings
enumerateRings() constCDPL::ConfGen::ConformerGeneratorSettings
generateCoordinatesFromScratch(bool generate)CDPL::ConfGen::ConformerGeneratorSettings
generateCoordinatesFromScratch() constCDPL::ConfGen::ConformerGeneratorSettings
getConvergenceCheckCycleSize() constCDPL::ConfGen::ConformerGeneratorSettings
getDielectricConstant() constCDPL::ConfGen::ConformerGeneratorSettings
getDistanceExponent() constCDPL::ConfGen::ConformerGeneratorSettings
getEnergyWindow() constCDPL::ConfGen::ConformerGeneratorSettings
getEnergyWindow(std::size_t num_rot_bonds) constCDPL::ConfGen::ConformerGeneratorSettings
getForceFieldTypeStochastic() constCDPL::ConfGen::ConformerGeneratorSettings
getForceFieldTypeSystematic() constCDPL::ConfGen::ConformerGeneratorSettings
getFragmentBuildSettings()CDPL::ConfGen::ConformerGeneratorSettings
getFragmentBuildSettings() constCDPL::ConfGen::ConformerGeneratorSettings
getMacrocycleRotorBondCountThreshold() constCDPL::ConfGen::ConformerGeneratorSettings
getMaxNumOutputConformers() constCDPL::ConfGen::ConformerGeneratorSettings
getMaxNumOutputConformers(std::size_t num_rot_bonds) constCDPL::ConfGen::ConformerGeneratorSettings
getMaxNumRefinementIterations() constCDPL::ConfGen::ConformerGeneratorSettings
getMaxNumSampledConformers() constCDPL::ConfGen::ConformerGeneratorSettings
getMaxPoolSize() constCDPL::ConfGen::ConformerGeneratorSettings
getMaxRotatableBondCount() constCDPL::ConfGen::ConformerGeneratorSettings
getMinRMSD() constCDPL::ConfGen::ConformerGeneratorSettings
getMinRMSD(std::size_t num_rot_bonds) constCDPL::ConfGen::ConformerGeneratorSettings
getNitrogenEnumerationMode() constCDPL::ConfGen::ConformerGeneratorSettings
getRefinementTolerance() constCDPL::ConfGen::ConformerGeneratorSettings
getSamplingMode() constCDPL::ConfGen::ConformerGeneratorSettings
getTimeout() constCDPL::ConfGen::ConformerGeneratorSettings
includeInputCoordinates(bool include)CDPL::ConfGen::ConformerGeneratorSettings
includeInputCoordinates() constCDPL::ConfGen::ConformerGeneratorSettings
LARGE_SET_DENSECDPL::ConfGen::ConformerGeneratorSettingsstatic
LARGE_SET_DIVERSECDPL::ConfGen::ConformerGeneratorSettingsstatic
MEDIUM_SET_DENSECDPL::ConfGen::ConformerGeneratorSettingsstatic
MEDIUM_SET_DIVERSECDPL::ConfGen::ConformerGeneratorSettingsstatic
sampleAngleToleranceRanges(bool sample)CDPL::ConfGen::ConformerGeneratorSettings
sampleAngleToleranceRanges() constCDPL::ConfGen::ConformerGeneratorSettings
sampleHeteroAtomHydrogens(bool sample)CDPL::ConfGen::ConformerGeneratorSettings
sampleHeteroAtomHydrogens() constCDPL::ConfGen::ConformerGeneratorSettings
setConvergenceCheckCycleSize(std::size_t size)CDPL::ConfGen::ConformerGeneratorSettings
setDielectricConstant(double de_const)CDPL::ConfGen::ConformerGeneratorSettings
setDistanceExponent(double exponent)CDPL::ConfGen::ConformerGeneratorSettings
setEnergyWindow(double win_size)CDPL::ConfGen::ConformerGeneratorSettings
setForceFieldTypeStochastic(unsigned int type)CDPL::ConfGen::ConformerGeneratorSettings
setForceFieldTypeSystematic(unsigned int type)CDPL::ConfGen::ConformerGeneratorSettings
setMacrocycleRotorBondCountThreshold(std::size_t min_count)CDPL::ConfGen::ConformerGeneratorSettings
setMaxNumOutputConformers(std::size_t max_num)CDPL::ConfGen::ConformerGeneratorSettings
setMaxNumRefinementIterations(std::size_t max_iter)CDPL::ConfGen::ConformerGeneratorSettings
setMaxNumSampledConformers(std::size_t max_num)CDPL::ConfGen::ConformerGeneratorSettings
setMaxPoolSize(std::size_t max_size)CDPL::ConfGen::ConformerGeneratorSettings
setMaxRotatableBondCount(long max_count)CDPL::ConfGen::ConformerGeneratorSettings
setMinRMSD(double min_rmsd)CDPL::ConfGen::ConformerGeneratorSettings
setNitrogenEnumerationMode(unsigned int mode)CDPL::ConfGen::ConformerGeneratorSettings
setRefinementTolerance(double tol)CDPL::ConfGen::ConformerGeneratorSettings
setSamplingMode(unsigned int mode)CDPL::ConfGen::ConformerGeneratorSettings
setTimeout(std::size_t mil_secs)CDPL::ConfGen::ConformerGeneratorSettings
SMALL_SET_DENSECDPL::ConfGen::ConformerGeneratorSettingsstatic
SMALL_SET_DIVERSECDPL::ConfGen::ConformerGeneratorSettingsstatic
strictForceFieldParameterization(bool strict)CDPL::ConfGen::ConformerGeneratorSettings
strictForceFieldParameterization() constCDPL::ConfGen::ConformerGeneratorSettings
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