rdf.cpp File Reference

#include "gmxpre.h"
#include "gromacs/trajectoryanalysis/modules/rdf.h"
#include <gtest/gtest.h>
#include "testutils/cmdlinetest.h"
#include "testutils/testasserts.h"
#include "testutils/textblockmatchers.h"
#include "moduletest.h"

Include dependency graph for rdf.cpp:

Description

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

These tests are essentially regression tests for the actual RDF calculation from very small configurations. Exclusions are not tested (since the input does not contain any), nor is the effect of -cut of -rmax. At the moment, they do not test the final normalization, but only the pair counts calculated for each frame. Tests for the final normalization should be added once related TODOs in the implementation/framework have been resolved (currently, the test framework does not see the final output data).

Author

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

Typedefs
typedef gmx::test::TrajectoryAnalysisModuleTestFixture < gmx::analysismodules::RdfInfo >	anonymous_namespace{rdf.cpp}::RdfModuleTest
	Test fixture for the rdf analysis module.