RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for RDGeom::UniformGrid3D, including all inherited members.
compareParams(const UniformGrid3D &other) const | RDGeom::UniformGrid3D | virtual |
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 override | RDGeom::UniformGrid3D | virtual |
getGridPointLoc(unsigned int pointId) const override | RDGeom::UniformGrid3D | virtual |
getNumX() const | RDGeom::UniformGrid3D | inline |
getNumY() const | RDGeom::UniformGrid3D | inline |
getNumZ() const | RDGeom::UniformGrid3D | inline |
getOccupancyVect() const override | RDGeom::UniformGrid3D | inlinevirtual |
getOffset() const | RDGeom::UniformGrid3D | inline |
getSize() const override | RDGeom::UniformGrid3D | inlinevirtual |
getSpacing() const | RDGeom::UniformGrid3D | inline |
getVal(const Point3D &point) const override | RDGeom::UniformGrid3D | virtual |
getVal(unsigned int pointId) const override | RDGeom::UniformGrid3D | virtual |
operator&(const UniformGrid3D &other) const | RDGeom::UniformGrid3D | inline |
operator&=(const UniformGrid3D &other) | RDGeom::UniformGrid3D | |
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 ¢er, double radius, double stepSize, int maxNumLayers=-1, bool ignoreOutOfBound=true) | RDGeom::UniformGrid3D | |
setVal(const Point3D &point, unsigned int val) override | RDGeom::UniformGrid3D | virtual |
setVal(unsigned int pointId, unsigned int val) override | RDGeom::UniformGrid3D | virtual |
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=nullptr) | RDGeom::UniformGrid3D | inline |
UniformGrid3D(const UniformGrid3D &other) | RDGeom::UniformGrid3D | |
UniformGrid3D(const std::string &pkl) | RDGeom::UniformGrid3D | |
UniformGrid3D(const char *pkl, unsigned int) | RDGeom::UniformGrid3D | |
~Grid3D() | RDGeom::Grid3D | inlinevirtual |
~UniformGrid3D() override | RDGeom::UniformGrid3D |