Compute the grid point at the center of sphere around a Point3D
C++ signature:
    ComputeGridCentroid(RDGeom::UniformGrid3D, RDGeom::Point3D, double) -> boost::python::tuple

FindGridTerminalPoints(...)

source code

Find a grid's terminal points (defined in the subshape algorithm).
C++ signature:
    FindGridTerminalPoints(RDGeom::UniformGrid3D, double, double) -> boost::python::tuple

ProtrudeDistance(...)

source code

Compute the protrude distance between two grid objects
C++ signature:
    ProtrudeDistance(RDGeom::UniformGrid3D, RDGeom::UniformGrid3D) -> double

TanimotoDistance(...)

source code

Compute the tanimoto distance between two grid objects
C++ signature:
    TanimotoDistance(RDGeom::UniformGrid3D, RDGeom::UniformGrid3D) -> double

UniformGrid3D(...)

source code

Faking the constructor
C++ signature:
    UniformGrid3D(double dimX, double dimY, double dimZ, double spacing=0.5, RDKit::DiscreteValueVect::DiscreteValueType valType=DataStructs.cDataStructs.DiscreteValueType.TWOBITVALUE, RDGeom::Point3D const* offSet=None) -> RDGeom::UniformGrid3D*

WriteGridToFile(...)

source code

Write the grid to a grid file
C++ signature:
    WriteGridToFile(RDGeom::UniformGrid3D, std::string) -> void*