nbsearch.h File Reference

#include <memory>
#include <vector>
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/classhelpers.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/real.h"

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Description

API for neighborhood searching for analysis.

The main part of the API is the class gmx::AnalysisNeighborhood. See Neighborhood search for analysis tools for an overview.

The classes within this file can be used independently of the other parts of the selection module.

Author

Teemu Murtola teemu.nosp@m..mur.nosp@m.tola@.nosp@m.gmai.nosp@m.l.com

Classes
class	gmx::AnalysisNeighborhoodPositions
	Input positions for neighborhood searching. More...
class	gmx::AnalysisNeighborhood
	Neighborhood searching for analysis tools. More...
class	gmx::AnalysisNeighborhoodPair
	Value type to represent a pair of positions found in neighborhood searching. More...
class	gmx::AnalysisNeighborhoodSearch
	Initialized neighborhood search with a fixed set of reference positions. More...
class	gmx::AnalysisNeighborhoodPairSearch
	Initialized neighborhood pair search with a fixed set of positions. More...