LOOS 4.1.0
The Lightweight Object Oriented Structural analysis library/toolkit
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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 |