RDKit
Open-source cheminformatics and machine learning.
RDGeom::UniformGrid3D Member List

This is the complete list of members for RDGeom::UniformGrid3D, including all inherited members.

compareParams(const UniformGrid3D &other) const RDGeom::UniformGrid3Dvirtual
getGridIndex(unsigned int xi, unsigned int yi, unsigned int zi) const RDGeom::UniformGrid3D
getGridIndices(unsigned int idx, unsigned int &xi, unsigned int &yi, unsigned int &zi) const RDGeom::UniformGrid3D
getGridPointIndex(const Point3D &point) const RDGeom::UniformGrid3Dvirtual
getGridPointLoc(unsigned int pointId) const RDGeom::UniformGrid3Dvirtual
getNumX() const RDGeom::UniformGrid3Dinline
getNumY() const RDGeom::UniformGrid3Dinline
getNumZ() const RDGeom::UniformGrid3Dinline
getOccupancyVect() const RDGeom::UniformGrid3Dinlinevirtual
getOffset() const RDGeom::UniformGrid3Dinline
getSize() const RDGeom::UniformGrid3Dinlinevirtual
getSpacing() const RDGeom::UniformGrid3Dinline
getVal(const Point3D &point) const RDGeom::UniformGrid3Dvirtual
getVal(unsigned int pointId) const RDGeom::UniformGrid3Dvirtual
operator&(const UniformGrid3D &other) const RDGeom::UniformGrid3Dinline
operator&=(const UniformGrid3D &other)RDGeom::UniformGrid3D
operator+=(const UniformGrid3D &other)RDGeom::UniformGrid3D
operator-=(const UniformGrid3D &other)RDGeom::UniformGrid3D
operator|=(const UniformGrid3D &other)RDGeom::UniformGrid3D
setSphereOccupancy(const Point3D &center, double radius, double stepSize, int maxNumLayers=-1, bool ignoreOutOfBound=true)RDGeom::UniformGrid3D
setVal(const Point3D &point, unsigned int val)RDGeom::UniformGrid3Dvirtual
setVal(unsigned int pointId, unsigned int val)RDGeom::UniformGrid3Dvirtual
toString() const RDGeom::UniformGrid3D
UniformGrid3D(double dimX, double dimY, double dimZ, double spacing=0.5, RDKit::DiscreteValueVect::DiscreteValueType valType=RDKit::DiscreteValueVect::TWOBITVALUE, const RDGeom::Point3D *offset=0)RDGeom::UniformGrid3Dinline
UniformGrid3D(const UniformGrid3D &other)RDGeom::UniformGrid3D
UniformGrid3D(const std::string pkl)RDGeom::UniformGrid3D
UniformGrid3D(const char *pkl, unsigned int)RDGeom::UniformGrid3D
~Grid3D()RDGeom::Grid3Dinlinevirtual
~UniformGrid3D()RDGeom::UniformGrid3D