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trajectoryreader.cpp File Reference
#include "gmxpre.h"
#include "trajectoryreader.h"
#include <memory>
#include <string>
#include "gromacs/fileio/oenv.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/testasserts.h"
+ Include dependency graph for trajectoryreader.cpp:

Description

Implementions of related classes for tests that want to inspect trajectories produced by mdrun.

Author
Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Functions

static t_trxframe * gmx::test::make_trxframe ()
 Helper function to obtain resources.
 
void gmx::test::done_trxframe (t_trxframe *fr)
 Helper function to clean up resources. More...
 
void gmx::test::compareFrames (const std::pair< TrajectoryFrame, TrajectoryFrame > &frames, FloatingPointTolerance tolerance)
 Compare the fields of the two frames for equality within the tolerance. More...