Chemical Data Processing Library Python API - Version 1.1.1
CDPL.GRAIL.GRAILDataSetGenerator Member List

This is the complete list of members for CDPL.GRAIL.GRAILDataSetGenerator, including all inherited members.

__init__()CDPL.GRAIL.GRAILDataSetGenerator
__init__(GRAILDataSetGenerator gen)CDPL.GRAIL.GRAILDataSetGenerator
assign(GRAILDataSetGenerator gen)CDPL.GRAIL.GRAILDataSetGenerator
calcAtomDensityGrid(Chem.AtomContainer atoms, Chem.Atom3DCoordinatesFunction coords_func, str grid_name)CDPL.GRAIL.GRAILDataSetGenerator
calcInteractionGrids(Chem.MolecularGraph tgt_env, Chem.Atom3DCoordinatesFunction coords_func, Grid.DRegularGridSet grid_set, bool append=False)CDPL.GRAIL.GRAILDataSetGenerator
clearEnabledInteractions(int arg2, int self)CDPL.GRAIL.GRAILDataSetGenerator
DEF_GRID_STEP_SIZE (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
diminishScoresByAtomDensity(bool diminish)CDPL.GRAIL.GRAILDataSetGenerator
dimScoresByAtomDensity (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
enableInteraction(int ftr_type, int tgt_ftr_type, bool enable)CDPL.GRAIL.GRAILDataSetGenerator
envAtomDensityGridName (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
environmentAtomDensityGridStored()CDPL.GRAIL.GRAILDataSetGenerator
getEnvironmentAtomDensityGridName()CDPL.GRAIL.GRAILDataSetGenerator
getGridName(int ftr_type, int tgt_ftr_type)CDPL.GRAIL.GRAILDataSetGenerator
getGridStepSize()CDPL.GRAIL.GRAILDataSetGenerator
getGridTransform()CDPL.GRAIL.GRAILDataSetGenerator
getGridXSize()CDPL.GRAIL.GRAILDataSetGenerator
getGridYSize()CDPL.GRAIL.GRAILDataSetGenerator
getGridZSize()CDPL.GRAIL.GRAILDataSetGenerator
getObjectID()CDPL.GRAIL.GRAILDataSetGenerator
getPharmacophoreGenerator()CDPL.GRAIL.GRAILDataSetGenerator
getPharmacophoreProcessingFunction()CDPL.GRAIL.GRAILDataSetGenerator
getScoreCombinationFunction()CDPL.GRAIL.GRAILDataSetGenerator
getScoringFunction(int ftr_type, int tgt_ftr_type)CDPL.GRAIL.GRAILDataSetGenerator
gridStepSize (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
gridTransform (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
gridXSize (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
gridYSize (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
gridZSize (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
isInteractionEnabled(int ftr_type, int tgt_ftr_type)CDPL.GRAIL.GRAILDataSetGenerator
normalizedScores (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
normalizeScores(bool normalize)CDPL.GRAIL.GRAILDataSetGenerator
objectID (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
pharmGenerator (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
pharmProcessingFunction (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
removeGridName(int ftr_type, int tgt_ftr_type)CDPL.GRAIL.GRAILDataSetGenerator
removeScoringFunction(int ftr_type, int tgt_ftr_type)CDPL.GRAIL.GRAILDataSetGenerator
scoreCombinationFunction (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
scoresDiminishedByAtomDensity()CDPL.GRAIL.GRAILDataSetGenerator
scoresNormalized()CDPL.GRAIL.GRAILDataSetGenerator
setEnvironmentAtomDensityGridName()CDPL.GRAIL.GRAILDataSetGenerator
setGridName(int ftr_type, int tgt_ftr_type, str name)CDPL.GRAIL.GRAILDataSetGenerator
setGridParamsForBoundingBox(Math.Vector3D bbox_min, Math.Vector3D bbox_max, float step_size=0.5)CDPL.GRAIL.GRAILDataSetGenerator
setGridStepSize(float size)CDPL.GRAIL.GRAILDataSetGenerator
setGridTransform(Math.Matrix4D xform)CDPL.GRAIL.GRAILDataSetGenerator
setGridXSize(int size)CDPL.GRAIL.GRAILDataSetGenerator
setGridYSize(int size)CDPL.GRAIL.GRAILDataSetGenerator
setGridZSize(int size)CDPL.GRAIL.GRAILDataSetGenerator
setPharmacophoreProcessingFunction(VoidPharmacophoreFunctor func)CDPL.GRAIL.GRAILDataSetGenerator
setScoreCombinationFunction(Math.DoubleDVectorFunctor func)CDPL.GRAIL.GRAILDataSetGenerator
setScoringFunction(int ftr_type, int tgt_ftr_type, DoubleVector3DFeatureFunctor func)CDPL.GRAIL.GRAILDataSetGenerator
storeEnvAtomDensityGrid (defined in CDPL.GRAIL.GRAILDataSetGenerator)CDPL.GRAIL.GRAILDataSetGeneratorstatic
storeEnvironmentAtomDensityGrid(bool store)CDPL.GRAIL.GRAILDataSetGenerator