GridUtils.h File Reference

#include <RDGeneral/export.h>
#include <vector>

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Namespaces
namespace	RDGeom

Functions
template<class GRIDTYPE >
RDKIT_RDGEOMETRYLIB_EXPORT double	RDGeom::tverskyIndex (const GRIDTYPE &grid1, const GRIDTYPE &grid2, double alpha, double beta)
	calculate the tversky index between the shapes encoded on two grids
template<class GRIDTYPE >
RDKIT_RDGEOMETRYLIB_EXPORT double	RDGeom::tanimotoDistance (const GRIDTYPE &grid1, const GRIDTYPE &grid2)
	calculate the tanimoto distance between the shapes encoded on two grids
template<class GRIDTYPE >
RDKIT_RDGEOMETRYLIB_EXPORT double	RDGeom::protrudeDistance (const GRIDTYPE &grid1, const GRIDTYPE &grid2)
	calculate the protrude distance between the shapes encoded on two grids
RDKIT_RDGEOMETRYLIB_EXPORT Point3D	RDGeom::computeGridCentroid (const UniformGrid3D &grid, const Point3D &pt, double windowRadius, double &weightSum)
	calculate the grid centroid within a window of a point
RDKIT_RDGEOMETRYLIB_EXPORT std::vector< Point3D >	RDGeom::findGridTerminalPoints (const UniformGrid3D &grid, double windowRadius, double inclusionFraction)