Chemical Data Processing Library C++ API - Version 1.1.1
CDPL::Shape::ScreeningSettings Member List

This is the complete list of members for CDPL::Shape::ScreeningSettings, including all inherited members.

AlignmentMode enum nameCDPL::Shape::ScreeningSettings
allCarbonMode(bool all_c)CDPL::Shape::ScreeningSettings
allCarbonMode() constCDPL::Shape::ScreeningSettings
ATOM_CENTERS enum valueCDPL::Shape::ScreeningSettings
BEST_MATCH_PER_QUERY enum valueCDPL::Shape::ScreeningSettings
BEST_MATCH_PER_QUERY_CONF enum valueCDPL::Shape::ScreeningSettings
BEST_OVERALL_MATCH enum valueCDPL::Shape::ScreeningSettings
COLOR_FEATURE_CENTERS enum valueCDPL::Shape::ScreeningSettings
ColorFeatureType enum nameCDPL::Shape::ScreeningSettings
DEFAULTCDPL::Shape::ScreeningSettingsstatic
getAlignmentMode() constCDPL::Shape::ScreeningSettings
getColorFeatureType() constCDPL::Shape::ScreeningSettings
getMaxNumOptimizationIterations() constCDPL::Shape::ScreeningSettings
getNumRandomStarts() constCDPL::Shape::ScreeningSettings
getOptimizationStopGradient() constCDPL::Shape::ScreeningSettings
getScoreCutoff() constCDPL::Shape::ScreeningSettings
getScoringFunction() constCDPL::Shape::ScreeningSettings
getScreeningMode() constCDPL::Shape::ScreeningSettings
greedyOptimization(bool greedy)CDPL::Shape::ScreeningSettings
greedyOptimization() constCDPL::Shape::ScreeningSettings
NO_ALIGNMENT enum valueCDPL::Shape::ScreeningSettings
NO_CUTOFFCDPL::Shape::ScreeningSettingsstatic
NO_FEATURES enum valueCDPL::Shape::ScreeningSettings
optimizeOverlap(bool optimize)CDPL::Shape::ScreeningSettings
optimizeOverlap() constCDPL::Shape::ScreeningSettings
PHARMACOPHORE_EXP_CHARGES enum valueCDPL::Shape::ScreeningSettings
PHARMACOPHORE_IMP_CHARGES enum valueCDPL::Shape::ScreeningSettings
RANDOM enum valueCDPL::Shape::ScreeningSettings
ScoringFunction typedefCDPL::Shape::ScreeningSettings
ScreeningMode enum nameCDPL::Shape::ScreeningSettings
ScreeningSettings()CDPL::Shape::ScreeningSettings
setAlignmentMode(AlignmentMode mode)CDPL::Shape::ScreeningSettings
setColorFeatureType(ColorFeatureType type)CDPL::Shape::ScreeningSettings
setMaxNumOptimizationIterations(std::size_t max_iter)CDPL::Shape::ScreeningSettings
setNumRandomStarts(std::size_t num_starts)CDPL::Shape::ScreeningSettings
setOptimizationStopGradient(double grad_norm)CDPL::Shape::ScreeningSettings
setScoreCutoff(double cutoff)CDPL::Shape::ScreeningSettings
setScoringFunction(const ScoringFunction &func)CDPL::Shape::ScreeningSettings
setScreeningMode(ScreeningMode mode)CDPL::Shape::ScreeningSettings
SHAPE_CENTROID enum valueCDPL::Shape::ScreeningSettings
singleConformerSearch(bool single_conf)CDPL::Shape::ScreeningSettings
singleConformerSearch() constCDPL::Shape::ScreeningSettings
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