sasa.cpp File Reference

#include "gmxpre.h"
#include "gromacs/trajectoryanalysis/modules/sasa.h"
#include <string>
#include <gtest/gtest.h>
#include "gromacs/utility/arrayref.h"
#include "testutils/cmdlinetest.h"
#include "testutils/testasserts.h"
#include "testutils/textblockmatchers.h"
#include "testutils/xvgtest.h"
#include "moduletest.h"

Include dependency graph for sasa.cpp:

Description

Tests for functionality of the "sasa" trajectory analysis module.

These tests test the basic functionality of the tool itself, but currently the tests related to -odg output are missing. This would require a full tpr file, and some investigation on what kind of tpr it should be to produce reasonable output.

The actual surface area algorithm is tested separately in surfacearea.cpp.

Author

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

Typedefs
typedef gmx::test::TrajectoryAnalysisModuleTestFixture < gmx::analysismodules::SasaInfo >	gmx::test::anonymous_namespace{sasa.cpp}::SasaModuleTest
	Test fixture for the sasa analysis module.