LOOS  v2.3.2
loos::DensityTools::WaterHistogrammer Class Reference

Public Member Functions

 WaterHistogrammer (const AtomicGroup &protein, const AtomicGroup &water, BulkEstimator *est, WaterFilterBase *filter)
 
void clear ()
 
void setGrid (const GCoord &min, const GCoord &max, const double resolution)
 
void setGrid (pTraj &traj, const std::vector< uint > &frames, const double resolution, const double pad=0.0)
 
void accumulate (const double density)
 
void accumulate (pTraj &traj, const std::vector< uint > &frames)
 
DensityGrid< double > grid () const
 
long outOfBounds () const
 

Detailed Description

Definition at line 141 of file water-hist-lib.hpp.


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