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37 * Tests for functionality of the "convert-trj" trajectory analysis module.
39 * \author Paul Bauer <paul.bauer.q@gmail.com>
40 * \ingroup module_trajectoryanalysis
44 #include "gromacs/trajectoryanalysis/modules/convert_trj.h"
46 #include <gtest/gtest.h>
48 #include "testutils/cmdlinetest.h"
49 #include "testutils/filematchers.h"
50 #include "testutils/textblockmatchers.h"
52 #include "moduletest.h"
57 using gmx::test::CommandLine;
58 using gmx::test::ExactTextMatch;
59 using gmx::test::NoContentsMatch;
61 /********************************************************************
62 * Tests for gmx::analysismodules::ConvertTrj.
65 //! Test fixture for the convert-trj analysis module.
66 typedef gmx::test::TrajectoryAnalysisModuleTestFixture<gmx::analysismodules::ConvertTrjInfo> ConvertTrjModuleTest;
68 TEST_F(ConvertTrjModuleTest, WritesNormalOutput)
70 const char* const cmdline[] = { "convert-trj" };
71 setTopology("freevolume.tpr");
72 setInputFile("-f", "freevolume.xtc");
73 setOutputFile("-o", "test.trr", NoContentsMatch());
74 runTest(CommandLine(cmdline));
77 TEST_F(ConvertTrjModuleTest, WritesAtomSubset)
79 const char* const cmdline[] = { "convert-trj", "-select", "not resname = CO2" };
80 setTopology("freevolume.tpr");
81 setInputFile("-f", "freevolume.xtc");
82 setOutputFile("-o", "test.trr", NoContentsMatch());
83 runTest(CommandLine(cmdline));
86 TEST_F(ConvertTrjModuleTest, WorksWithAtomAdding)
88 const char* const cmdline[] = { "convert-trj", "-atoms", "always-from-structure" };
89 // TODO check output structures once this is supported.
90 setTopology("clustsize.tpr");
91 setInputFile("-f", "clustsize.pdb");
92 setOutputFile("-o", "test.gro", ExactTextMatch());
93 runTest(CommandLine(cmdline));
96 TEST_F(ConvertTrjModuleTest, WorksWithAtomsAndSelection)
98 const char* const cmdline[] = { "convert-trj", "-atoms", "always-from-structure", "-select",
99 "not resname = CO2" };
100 // TODO check output structures once this is supported.
101 setTopology("clustsize.tpr");
102 setInputFile("-f", "clustsize.pdb");
103 setOutputFile("-o", "test.gro", ExactTextMatch());
104 runTest(CommandLine(cmdline));