RDKit
Open-source cheminformatics and machine learning.
RDGeom::Grid3D Class Referenceabstract

Virtual base class for a grid object. More...

#include <Grid3D.h>

Inheritance diagram for RDGeom::Grid3D:
RDGeom::UniformGrid3D

Public Member Functions

virtual ~Grid3D ()
 
virtual int getGridPointIndex (const Point3D &point) const =0
 
virtual int getVal (const Point3D &point) const =0
 
virtual void setVal (const Point3D &point, unsigned int val)=0
 
virtual Point3D getGridPointLoc (unsigned int pointId) const =0
 
virtual unsigned int getVal (unsigned int pointId) const =0
 
virtual void setVal (unsigned int pointId, unsigned int val)=0
 
virtual unsigned int getSize () const =0
 
virtual const RDKit::DiscreteValueVectgetOccupancyVect () const =0
 

Detailed Description

Virtual base class for a grid object.

Definition at line 36 of file Grid3D.h.

Constructor & Destructor Documentation

virtual RDGeom::Grid3D::~Grid3D ( )
inlinevirtual

Definition at line 38 of file Grid3D.h.

Member Function Documentation

virtual int RDGeom::Grid3D::getGridPointIndex ( const Point3D point) const
pure virtual

Implemented in RDGeom::UniformGrid3D.

virtual Point3D RDGeom::Grid3D::getGridPointLoc ( unsigned int  pointId) const
pure virtual

Implemented in RDGeom::UniformGrid3D.

virtual const RDKit::DiscreteValueVect* RDGeom::Grid3D::getOccupancyVect ( ) const
pure virtual

Implemented in RDGeom::UniformGrid3D.

virtual unsigned int RDGeom::Grid3D::getSize ( ) const
pure virtual

Implemented in RDGeom::UniformGrid3D.

virtual int RDGeom::Grid3D::getVal ( const Point3D point) const
pure virtual

Implemented in RDGeom::UniformGrid3D.

virtual unsigned int RDGeom::Grid3D::getVal ( unsigned int  pointId) const
pure virtual

Implemented in RDGeom::UniformGrid3D.

virtual void RDGeom::Grid3D::setVal ( const Point3D point,
unsigned int  val 
)
pure virtual

Implemented in RDGeom::UniformGrid3D.

virtual void RDGeom::Grid3D::setVal ( unsigned int  pointId,
unsigned int  val 
)
pure virtual

Implemented in RDGeom::UniformGrid3D.


The documentation for this class was generated from the following file: