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37 * Tests for gmx trjconv.
39 * \author Mark Abraham <mark.j.abraham@gmail.com>
43 #include "gromacs/tools/trjconv.h"
47 #include "testutils/cmdlinetest.h"
48 #include "testutils/simulationdatabase.h"
49 #include "testutils/stdiohelper.h"
50 #include "testutils/textblockmatchers.h"
55 class TrjconvWithIndexGroupSubset :
56 public gmx::test::CommandLineTestBase,
57 public ::testing::WithParamInterface<const char*>
60 void runTest(const char* fileName)
62 auto& cmdline = commandLine();
64 setInputFile("-s", "spc2.gro");
65 setInputFile("-f", fileName);
66 setInputFile("-n", "spc2.ndx");
67 setOutputFile("-o", "spc-traj.tng", gmx::test::NoTextMatch());
69 gmx::test::StdioTestHelper stdioHelper(&fileManager());
70 stdioHelper.redirectStringToStdin("SecondWaterMolecule\n");
72 /* TODO Ideally, we would then check that the output file
73 has only 3 of the 6 atoms (which it does), but the
74 infrastructure for doing that automatically is still
75 being built. This would also fix the TODO below. */
76 ASSERT_EQ(0, gmx_trjconv(cmdline.argc(), cmdline.argv()));
79 /* TODO These tests are actually not very effective, because trjconv
80 * can only return 0 or exit via gmx_fatal() (which currently also
81 * exits the test binary). So, "no XDR/TNG support in the binary"
82 * leads to the reading test appearing to pass. Still, no fatal error
83 * and no segfault is useful information while modifying such code. */
85 TEST_P(TrjconvWithIndexGroupSubset, WithDifferentInputFormats)
90 /*! \brief Helper array of input files present in the source repo
91 * database. These all have two identical frames of two SPC water
92 * molecules, which were generated via trjconv from the .gro
94 const char* const trajectoryFileNames[] = { "spc2-traj.trr",
98 "spc2-traj.xtc", "spc2-traj.gro",
99 "spc2-traj.pdb", "spc2-traj.g96" };
101 INSTANTIATE_TEST_CASE_P(NoFatalErrorWhenWritingFrom,
102 TrjconvWithIndexGroupSubset,
103 ::testing::ValuesIn(trajectoryFileNames));
105 class TrjconvWithoutTopologyFile :
106 public gmx::test::CommandLineTestBase,
107 public ::testing::WithParamInterface<const char*>
110 void runTest(const char* fileName)
112 auto& cmdline = commandLine();
114 setInputFile("-f", fileName);
115 setInputFile("-n", "spc2.ndx");
116 setOutputFile("-o", "spc-traj.trr", gmx::test::NoTextMatch());
118 gmx::test::StdioTestHelper stdioHelper(&fileManager());
119 stdioHelper.redirectStringToStdin("SecondWaterMolecule\n");
121 /* As mentioned above, the tests don't check much besides
122 * that trjconv does not crash.
124 ASSERT_EQ(0, gmx_trjconv(cmdline.argc(), cmdline.argv()));
128 TEST_P(TrjconvWithoutTopologyFile, WithDifferentInputFormats)
133 INSTANTIATE_TEST_CASE_P(NoFatalErrorWhenWritingFrom,
134 TrjconvWithoutTopologyFile,
135 ::testing::ValuesIn(trajectoryFileNames));