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#include "gmxpre.h"
#include "hbond.h"
#include <algorithm>
#include <iostream>
#include <set>
#include <unordered_set>
#include <utility>
#include "gromacs/analysisdata/analysisdata.h"
#include "gromacs/analysisdata/modules/histogram.h"
#include "gromacs/analysisdata/modules/plot.h"
#include "gromacs/math/units.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/filenameoption.h"
#include "gromacs/options/options.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/selection/nbsearch.h"
#include "gromacs/selection/selectionoption.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/trajectoryanalysis/analysissettings.h"
#include "gromacs/trajectoryanalysis/topologyinformation.h"
#include "gromacs/utility/futil.h"
#include "gromacs/utility/gmxassert.h"
+ Include dependency graph for hbond.cpp:

Description

Implements gmx::analysismodules::Hbond2.

Author
Sergey Gorelov gorel.nosp@m.ov_s.nosp@m.v@pnp.nosp@m.i.nr.nosp@m.cki.r.nosp@m.u
Alexey Shvetsov alexx.nosp@m.yum@.nosp@m.gmail.nosp@m..com

Classes

struct  gmx::analysismodules::anonymous_namespace{hbond.cpp}::HbondStorageFrame
 Structure that contains storage information from different frames. More...
 
class  gmx::analysismodules::anonymous_namespace{hbond.cpp}::HbondStorage
 Class that stores frame information in storage and, upon request, can return it. More...
 

Enumerations

enum  DonorType : std::size_t { Oxygen = 0, Nitrogen }
 

Variables

const std::size_t gmx::analysismodules::anonymous_namespace{hbond.cpp}::c_maxHydrogensWithOxygen = 3
 
const std::size_t gmx::analysismodules::anonymous_namespace{hbond.cpp}::c_maxHydrogensWithNitrogen = 4
 
const std::size_t gmx::analysismodules::anonymous_namespace{hbond.cpp}::c_maxHydrogenBonds = 2