Chemical Data Processing Library Python API - Version 1.1.1
- p -
parameterize() :
CDPL.ForceField.MMFF94AngleBendingInteractionParameterizer
,
CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer
,
CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer
,
CDPL.ForceField.MMFF94InteractionParameterizer
,
CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer
,
CDPL.ForceField.MMFF94StretchBendInteractionParameterizer
,
CDPL.ForceField.MMFF94TorsionInteractionParameterizer
,
CDPL.ForceField.MMFF94VanDerWaalsInteractionParameterizer
perceive() :
CDPL.Chem.AromaticRingSet
,
CDPL.Chem.AromaticSubstructure
,
CDPL.Chem.CompleteRingSet
,
CDPL.Chem.ComponentSet
,
CDPL.Chem.CyclicSubstructure
,
CDPL.Chem.PiElectronSystemList
,
CDPL.Chem.SmallestSetOfSmallestRings
,
CDPL.Pharm.SpatialFeatureMapping
perceiveTypes() :
CDPL.ForceField.MMFF94AtomTyper
,
CDPL.ForceField.MMFF94BondTyper
,
CDPL.MolProp.HBondAcceptorAtomTyper
,
CDPL.MolProp.HBondDonorAtomTyper
performAlignment() :
CDPL.Shape.FastGaussianShapeAlignment
,
CDPL.Shape.GaussianShapeAlignment
,
CDPL.Shape.GaussianShapeFunctionAlignment
performExhaustiveSearch() :
CDPL.Chem.SpatialAtomAlignment
,
CDPL.Chem.SpatialEntity3DAlignment
,
CDPL.Pharm.SpatialFeatureAlignment
performReaction() :
CDPL.Chem.Reactor
popLastElement() :
CDPL.Chem.AtomMatchExpressionList
,
CDPL.Chem.BondMatchExpressionList
,
CDPL.Chem.FragmentList
,
CDPL.Chem.MolecularGraphMatchExpressionList
,
CDPL.Chem.ReactionMatchExpressionList
,
CDPL.Math.Vector2DArray
,
CDPL.Math.Vector2FArray
,
CDPL.Math.Vector2LArray
,
CDPL.Math.Vector2ULArray
,
CDPL.Math.Vector3DArray
,
CDPL.Math.Vector3FArray
,
CDPL.Math.Vector3LArray
,
CDPL.Math.Vector3ULArray
,
CDPL.Util.BitSetArray
,
CDPL.Util.DArray
,
CDPL.Util.LArray
,
CDPL.Util.SArray
,
CDPL.Util.STArray
,
CDPL.Util.STPairArray
,
CDPL.Util.UIArray
preserveInputBondingGeometries() :
CDPL.ConfGen.FragmentConformerGeneratorSettings
process() :
CDPL.ConfGen.FragmentLibraryGenerator
,
CDPL.Pharm.ScreeningDBCreator
,
CDPL.Shape.ScreeningProcessor
processAllMatches() :
CDPL.Chem.PatternAtomTyper.Pattern
,
CDPL.Chem.SubstructureHistogramCalculator.Pattern
processUniqueMatchesOnly() :
CDPL.Chem.PatternAtomTyper.Pattern
,
CDPL.Chem.SubstructureHistogramCalculator.Pattern
proximityOptimization() :
CDPL.Shape.FastGaussianShapeOverlapFunction
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1.8.20