RDKit
Open-source cheminformatics and machine learning.
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Virtual base class for a grid object. More...
#include <Grid3D.h>
Public Member Functions | |
virtual | ~Grid3D () |
virtual int | getGridPointIndex (const Point3D &point) const =0 |
virtual ValueType1 | getVal (const Point3D &point) const =0 |
virtual void | setVal (const Point3D &point, ValueType2 val)=0 |
virtual Point3D | getGridPointLoc (unsigned int pointId) const =0 |
virtual ValueType2 | getVal (unsigned int pointId) const =0 |
virtual void | setVal (unsigned int pointId, ValueType2 val)=0 |
virtual unsigned int | getSize () const =0 |
virtual const VectorType * | getOccupancyVect () const =0 |
Virtual base class for a grid object.
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inlinevirtual |
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pure virtual |
Implemented in RDGeom::UniformGrid3D, and RDGeom::UniformRealValueGrid3D.
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pure virtual |
Implemented in RDGeom::UniformGrid3D, and RDGeom::UniformRealValueGrid3D.
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pure virtual |
Implemented in RDGeom::UniformGrid3D, and RDGeom::UniformRealValueGrid3D.
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pure virtual |
Implemented in RDGeom::UniformGrid3D, and RDGeom::UniformRealValueGrid3D.
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pure virtual |
Implemented in RDGeom::UniformGrid3D, and RDGeom::UniformRealValueGrid3D.
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pure virtual |
Implemented in RDGeom::UniformGrid3D, and RDGeom::UniformRealValueGrid3D.
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pure virtual |
Implemented in RDGeom::UniformGrid3D, and RDGeom::UniformRealValueGrid3D.
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pure virtual |
Implemented in RDGeom::UniformRealValueGrid3D, and RDGeom::UniformGrid3D.