VolumeGrid

[ ligand_pharma | Source | Keywords | Summary | Ancestors | All Members | Descendants ]

Quick Index

KEYWORD
AUTHORS
CHANGES LOG
GOALS
USAGE

Class Summary

class VolumeGrid
{
public:
VolumeGrid(const MultipleResult& multipleResult);
VolumeGrid(const Molecule< Mol2Atom>& mol);
void getSampledVolumePoints(const float density, vector< Vector3>& retVolumePoints) const;
void printGrid(ofstream& file) const;
float score(const PairwiseResult& pairwiseResult) const;
protected:
float delta_;
int maxGridRadius_;
int maxEntry_;
int xGridNum_;
int yGridNum_;
int xyGridNum_;
int zGridNum_;
float xMin_;
float yMin_;
float zMin_;
float xMax_;
float yMax_;
float zMax_;
vector< float> grid_;
}; // VolumeGrid

Back to the top of VolumeGrid

KEYWORD

Back to the top of VolumeGrid

AUTHORS

Back to the top of VolumeGrid

CHANGES LOG

Back to the top of VolumeGrid

GOALS

Back to the top of VolumeGrid

USAGE

Back to the top of VolumeGrid

VolumeGrid(const MultipleResult& multipleResult);

  VolumeGrid(const MultipleResult& multipleResult);

Back to the top of VolumeGrid

VolumeGrid(const Molecule< Mol2Atom>& mol);

  VolumeGrid(const Molecule< Mol2Atom>& mol);

Back to the top of VolumeGrid

void getSampledVolumePoints(const float density, vector< Vector3>& retVolumePoints) const;

  void getSampledVolumePoints(const float density, vector< Vector3>& retVolumePoints) const;

Back to the top of VolumeGrid

void printGrid(ofstream& file) const;

  void printGrid(ofstream& file) const;

Back to the top of VolumeGrid

float score(const PairwiseResult& pairwiseResult) const;

  float score(const PairwiseResult& pairwiseResult) const;

Back to the top of VolumeGrid

float delta_;

grid resolution 

  float delta_;

Back to the top of VolumeGrid

int maxGridRadius_;

  int maxGridRadius_;

Back to the top of VolumeGrid

int maxEntry_;

  int maxEntry_;

Back to the top of VolumeGrid

int xGridNum_;

  int xGridNum_;

Back to the top of VolumeGrid

int yGridNum_;

  int yGridNum_;

Back to the top of VolumeGrid

int xyGridNum_;

  int xyGridNum_;

Back to the top of VolumeGrid

int zGridNum_;

  int zGridNum_;

Back to the top of VolumeGrid

float xMin_;

  float xMin_;

Back to the top of VolumeGrid

float yMin_;

  float yMin_;

Back to the top of VolumeGrid

float zMin_;

  float zMin_;

Back to the top of VolumeGrid

float xMax_;

  float xMax_;

Back to the top of VolumeGrid

float yMax_;

  float yMax_;

Back to the top of VolumeGrid

float zMax_;

  float zMax_;

Back to the top of VolumeGrid

vector< float> grid_;

  vector< float> grid_;

Back to the top of VolumeGrid

All Members

public:
void getSampledVolumePoints(const float density, vector< Vector3>& retVolumePoints) const;
void printGrid(ofstream& file) const;
float score(const PairwiseResult& pairwiseResult) const;
protected:
float delta_;
int maxGridRadius_;
int maxEntry_;
int xGridNum_;
int yGridNum_;
int xyGridNum_;
int zGridNum_;
float xMin_;
float yMin_;
float zMin_;
float xMax_;
float yMax_;
float zMax_;
vector< float> grid_;

Back to the top of VolumeGrid

Ancestors

Class does not inherit from any other class.

Back to the top of VolumeGrid

Descendants

Class is not inherited by any others.

Back to the top of VolumeGrid

Generated from source by the Cocoon utilities on Mon Dec 21 11:44:48 2009 .

Report problems to jkotula@unimax.com