wuxing0105's picture
Upload folder using huggingface_hub
8efb4bd verified
Raw
History Blame Contribute Delete
521 Bytes
/**
* \file BBGrid.h
* \brief
*
* \authors Dina Schneidman
*
*
*/
#ifndef BBGRID_H
#define BBGRID_H
#include <ChemMolecule.h>
#include <prGrid.h>
class BBGrid : public ResidueGrid {
public:
BBGrid(const Surface &surface, const float inDelta, const float maxRadius, float radiusAdition)
: ResidueGrid(surface, inDelta, maxRadius), radiusAdition_(radiusAdition){};
void markResidues(const ChemMolecule &M);
private:
float radiusAdition_;
};
#endif /* BBGRID_H */