compareGrids(const UniformRealValueGrid3D &other) const | RDGeom::UniformRealValueGrid3D | |
compareParams(const UniformRealValueGrid3D &other) const | RDGeom::UniformRealValueGrid3D | |
compareVectors(const UniformRealValueGrid3D &other) const | RDGeom::UniformRealValueGrid3D | |
getData() const | RDGeom::UniformRealValueGrid3D | inline |
getData() | RDGeom::UniformRealValueGrid3D | inline |
getGridIndex(unsigned int xi, unsigned int yi, unsigned int zi) const | RDGeom::UniformRealValueGrid3D | |
getGridIndices(unsigned int idx, unsigned int &xi, unsigned int &yi, unsigned int &zi) const | RDGeom::UniformRealValueGrid3D | |
getGridPointIndex(const RDGeom::Point3D &point) const override | RDGeom::UniformRealValueGrid3D | virtual |
getGridPointLoc(unsigned int pointId) const override | RDGeom::UniformRealValueGrid3D | virtual |
getNumX() const | RDGeom::UniformRealValueGrid3D | inline |
getNumY() const | RDGeom::UniformRealValueGrid3D | inline |
getNumZ() const | RDGeom::UniformRealValueGrid3D | inline |
getOccupancyVect() const override | RDGeom::UniformRealValueGrid3D | inlinevirtual |
getOffset() const | RDGeom::UniformRealValueGrid3D | inline |
getSize() const override | RDGeom::UniformRealValueGrid3D | inlinevirtual |
getSpacing() const | RDGeom::UniformRealValueGrid3D | inline |
getVal(const RDGeom::Point3D &point) const override | RDGeom::UniformRealValueGrid3D | virtual |
getVal(unsigned int pointId) const override | RDGeom::UniformRealValueGrid3D | virtual |
operator&=(const UniformRealValueGrid3D &other) | RDGeom::UniformRealValueGrid3D | |
operator+=(const UniformRealValueGrid3D &other) | RDGeom::UniformRealValueGrid3D | |
operator-=(const UniformRealValueGrid3D &other) | RDGeom::UniformRealValueGrid3D | |
operator=(const UniformRealValueGrid3D &other) | RDGeom::UniformRealValueGrid3D | |
operator|=(const UniformRealValueGrid3D &other) | RDGeom::UniformRealValueGrid3D | |
setVal(const RDGeom::Point3D &point, double val) override | RDGeom::UniformRealValueGrid3D | virtual |
setVal(unsigned int pointId, double val) override | RDGeom::UniformRealValueGrid3D | virtual |
toString() const | RDGeom::UniformRealValueGrid3D | |
UniformRealValueGrid3D() | RDGeom::UniformRealValueGrid3D | inline |
UniformRealValueGrid3D(double dimX, double dimY, double dimZ, double spacing=0.5, const RDGeom::Point3D *offset=nullptr, const RDKit::RealValueVect *data=nullptr) | RDGeom::UniformRealValueGrid3D | inline |
UniformRealValueGrid3D(const UniformRealValueGrid3D &other) | RDGeom::UniformRealValueGrid3D | |
UniformRealValueGrid3D(const std::string &pkl) | RDGeom::UniformRealValueGrid3D | |
UniformRealValueGrid3D(const char *pkl, unsigned int) | RDGeom::UniformRealValueGrid3D | |
~Grid3D() | RDGeom::Grid3D< RDKit::RealValueVect, double, double > | inlinevirtual |