__init__() | CDPL.GRAIL.AtomDensityGridCalculator | |
__init__(Chem.DoubleVector3D2AtomFunctor func) | CDPL.GRAIL.AtomDensityGridCalculator | |
__init__(Chem.DoubleVector3D2AtomFunctor density_func, Math.DoubleDVectorFunctor comb_func) | CDPL.GRAIL.AtomDensityGridCalculator | |
__init__(AtomDensityGridCalculator calc) | CDPL.GRAIL.AtomDensityGridCalculator | |
assign(AtomDensityGridCalculator calc) | CDPL.GRAIL.AtomDensityGridCalculator | |
atomCoordsFunction (defined in CDPL.GRAIL.AtomDensityGridCalculator) | CDPL.GRAIL.AtomDensityGridCalculator | static |
calculate(Chem.AtomContainer atoms, Grid.DSpatialGrid grid) | CDPL.GRAIL.AtomDensityGridCalculator | |
densityCombFunction (defined in CDPL.GRAIL.AtomDensityGridCalculator) | CDPL.GRAIL.AtomDensityGridCalculator | static |
densityFunction (defined in CDPL.GRAIL.AtomDensityGridCalculator) | CDPL.GRAIL.AtomDensityGridCalculator | static |
distanceCutoff (defined in CDPL.GRAIL.AtomDensityGridCalculator) | CDPL.GRAIL.AtomDensityGridCalculator | static |
getAtom3DCoordinatesFunction() | CDPL.GRAIL.AtomDensityGridCalculator | |
getDensityCombinationFunction() | CDPL.GRAIL.AtomDensityGridCalculator | |
getDensityFunction() | CDPL.GRAIL.AtomDensityGridCalculator | |
getDistanceCutoff() | CDPL.GRAIL.AtomDensityGridCalculator | |
getObjectID() | CDPL.GRAIL.AtomDensityGridCalculator | |
objectID (defined in CDPL.GRAIL.AtomDensityGridCalculator) | CDPL.GRAIL.AtomDensityGridCalculator | static |
setAtom3DCoordinatesFunction(Chem.Atom3DCoordinatesFunction func) | CDPL.GRAIL.AtomDensityGridCalculator | |
setDensityCombinationFunction(Math.DoubleDVectorFunctor func) | CDPL.GRAIL.AtomDensityGridCalculator | |
setDensityFunction(Chem.DoubleVector3D2AtomFunctor func) | CDPL.GRAIL.AtomDensityGridCalculator | |
setDistanceCutoff(float dist) | CDPL.GRAIL.AtomDensityGridCalculator | |