CDPL::Shape::ScreeningSettings Member List

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

AlignmentMode enum name	CDPL::Shape::ScreeningSettings
allCarbonMode(bool all_c)	CDPL::Shape::ScreeningSettings
allCarbonMode() const	CDPL::Shape::ScreeningSettings
ATOM_CENTERS enum value	CDPL::Shape::ScreeningSettings
BEST_MATCH_PER_QUERY enum value	CDPL::Shape::ScreeningSettings
BEST_MATCH_PER_QUERY_CONF enum value	CDPL::Shape::ScreeningSettings
BEST_OVERALL_MATCH enum value	CDPL::Shape::ScreeningSettings
COLOR_FEATURE_CENTERS enum value	CDPL::Shape::ScreeningSettings
ColorFeatureType enum name	CDPL::Shape::ScreeningSettings
DEFAULT	CDPL::Shape::ScreeningSettings	static
getAlignmentMode() const	CDPL::Shape::ScreeningSettings
getColorFeatureType() const	CDPL::Shape::ScreeningSettings
getMaxNumOptimizationIterations() const	CDPL::Shape::ScreeningSettings
getNumRandomStarts() const	CDPL::Shape::ScreeningSettings
getOptimizationStopGradient() const	CDPL::Shape::ScreeningSettings
getScoreCutoff() const	CDPL::Shape::ScreeningSettings
getScoringFunction() const	CDPL::Shape::ScreeningSettings
getScreeningMode() const	CDPL::Shape::ScreeningSettings
greedyOptimization(bool greedy)	CDPL::Shape::ScreeningSettings
greedyOptimization() const	CDPL::Shape::ScreeningSettings
NO_ALIGNMENT enum value	CDPL::Shape::ScreeningSettings
NO_CUTOFF	CDPL::Shape::ScreeningSettings	static
NO_FEATURES enum value	CDPL::Shape::ScreeningSettings
optimizeOverlap(bool optimize)	CDPL::Shape::ScreeningSettings
optimizeOverlap() const	CDPL::Shape::ScreeningSettings
PHARMACOPHORE_EXP_CHARGES enum value	CDPL::Shape::ScreeningSettings
PHARMACOPHORE_IMP_CHARGES enum value	CDPL::Shape::ScreeningSettings
RANDOM enum value	CDPL::Shape::ScreeningSettings
ScoringFunction typedef	CDPL::Shape::ScreeningSettings
ScreeningMode enum name	CDPL::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 value	CDPL::Shape::ScreeningSettings
singleConformerSearch(bool single_conf)	CDPL::Shape::ScreeningSettings
singleConformerSearch() const	CDPL::Shape::ScreeningSettings