Chemical Data Processing Library Python 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.

__init__()CDPL.Shape.ScreeningSettings
__init__(ScreeningSettings settings)CDPL.Shape.ScreeningSettings
alignmentMode (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
allCarbon (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
allCarbonMode(bool all_c)CDPL.Shape.ScreeningSettings
allCarbonMode()CDPL.Shape.ScreeningSettings
assign(ScreeningSettings settings)CDPL.Shape.ScreeningSettings
colorFeatureType (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
DEFAULT (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
getAlignmentMode()CDPL.Shape.ScreeningSettings
getColorFeatureType()CDPL.Shape.ScreeningSettings
getMaxNumOptimizationIterations()CDPL.Shape.ScreeningSettings
getNumRandomStarts()CDPL.Shape.ScreeningSettings
getObjectID()CDPL.Shape.ScreeningSettings
getOptimizationStopGradient()CDPL.Shape.ScreeningSettings
getScoreCutoff()CDPL.Shape.ScreeningSettings
getScoringFunction()CDPL.Shape.ScreeningSettings
getScreeningMode()CDPL.Shape.ScreeningSettings
greedyOpt (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
greedyOptimization(bool greedy)CDPL.Shape.ScreeningSettings
greedyOptimization()CDPL.Shape.ScreeningSettings
maxNumOptIterations (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
NO_CUTOFF (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
numRandomStarts (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
objectID (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
optimizeOverlap(bool optimize)CDPL.Shape.ScreeningSettings
optimizeOverlap()CDPL.Shape.ScreeningSettings
optOverlap (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
optStopGradient (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
scoreCutoff (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
scoringFunction (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
screeningMode (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic
setAlignmentMode(AlignmentMode mode)CDPL.Shape.ScreeningSettings
setColorFeatureType(ColorFeatureType type)CDPL.Shape.ScreeningSettings
setMaxNumOptimizationIterations(int max_iter)CDPL.Shape.ScreeningSettings
setNumRandomStarts(int num_starts)CDPL.Shape.ScreeningSettings
setOptimizationStopGradient(float grad_norm)CDPL.Shape.ScreeningSettings
setScoreCutoff(float cutoff)CDPL.Shape.ScreeningSettings
setScoringFunction(DoubleAlignmentResultFunctor func)CDPL.Shape.ScreeningSettings
setScreeningMode(ScreeningMode mode)CDPL.Shape.ScreeningSettings
singleConformerSearch(bool all_c)CDPL.Shape.ScreeningSettings
singleConformerSearch()CDPL.Shape.ScreeningSettings
singleConfSearch (defined in CDPL.Shape.ScreeningSettings)CDPL.Shape.ScreeningSettingsstatic