src/gromacs/gmxana/tests/gmx_trjconv.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Tests for gmx trjconv.
  38  *
  39  * \author Mark Abraham <mark.j.abraham@gmail.com>
  40  */
  41 #include "gmxpre.h"
  42
  43 #include "config.h"
  44
  45 #include "gromacs/gmxana/gmx_ana.h"
  46
  47 #include "testutils/cmdlinetest.h"
  48 #include "testutils/stdiohelper.h"
  49 #include "testutils/textblockmatchers.h"
  50
  51 namespace
  52 {
  53
  54 class TrjconvWithIndexGroupSubset : public gmx::test::CommandLineTestBase,
  55                                     public ::testing::WithParamInterface<const char *>
  56 {
  57     public:
  58         void runTest(const char *fileName)
  59         {
  60             auto &cmdline = commandLine();
  61
  62             setInputFile("-s", "spc2.gro");
  63             setInputFile("-f", fileName);
  64             setInputFile("-n", "spc2.ndx");
  65             setOutputFile("-o", "spc-traj.tng", gmx::test::NoTextMatch());
  66
  67             gmx::test::StdioTestHelper stdioHelper(&fileManager());
  68             stdioHelper.redirectStringToStdin("SecondWaterMolecule\n");
  69
  70             /* TODO Ideally, we would then check that the output file
  71                has only 3 of the 6 atoms (which it does), but the
  72                infrastructure for doing that automatically is still
  73                being built. This would also fix the TODO below. */
  74             ASSERT_EQ(0, gmx_trjconv(cmdline.argc(), cmdline.argv()));
  75         }
  76 };
  77 /* TODO These tests are actually not very effective, because trjconv
  78  * can only return 0 or exit via gmx_fatal() (which currently also
  79  * exits the test binary). So, "no XDR/TNG support in the binary"
  80  * leads to the reading test appearing to pass. Still, no fatal error
  81  * and no segfault is useful information while modifying such code. */
  82
  83 TEST_P(TrjconvWithIndexGroupSubset, WithDifferentInputFormats)
  84 {
  85     runTest(GetParam());
  86 }
  87
  88 /*! \brief Helper array of input files present in the source repo
  89  * database. These all have two identical frames of two SPC water
  90  * molecules, which were generated via trjconv from the .gro
  91  * version. */
  92 const char *const trajectoryFileNames[] = {
  93     "spc2-traj.trr",
  94 #if GMX_USE_TNG
  95     "spc2-traj.tng",
  96 #endif
  97     "spc2-traj.xtc",
  98     "spc2-traj.gro",
  99     "spc2-traj.pdb",
 100     "spc2-traj.g96"
 101 };
 102
 103 INSTANTIATE_TEST_CASE_P(NoFatalErrorWhenWritingFrom,
 104                         TrjconvWithIndexGroupSubset,
 105                             ::testing::ValuesIn(trajectoryFileNames));
 106
 107 class TrjconvWithoutTopologyFile : public gmx::test::CommandLineTestBase,
 108                                    public ::testing::WithParamInterface<const char *>
 109 {
 110     public:
 111         void runTest(const char *fileName)
 112         {
 113             auto &cmdline = commandLine();
 114
 115             setInputFile("-f", fileName);
 116             setInputFile("-n", "spc2.ndx");
 117             setOutputFile("-o", "spc-traj.trr", gmx::test::NoTextMatch());
 118
 119             gmx::test::StdioTestHelper stdioHelper(&fileManager());
 120             stdioHelper.redirectStringToStdin("SecondWaterMolecule\n");
 121
 122             /* As mentioned above, the tests don't check much besides
 123              * that trjconv does not crash.
 124              */
 125             ASSERT_EQ(0, gmx_trjconv(cmdline.argc(), cmdline.argv()));
 126         }
 127 };
 128
 129 TEST_P(TrjconvWithoutTopologyFile, WithDifferentInputFormats)
 130 {
 131     runTest(GetParam());
 132 }
 133
 134 INSTANTIATE_TEST_CASE_P(NoFatalErrorWhenWritingFrom,
 135                         TrjconvWithoutTopologyFile,
 136                             ::testing::ValuesIn(trajectoryFileNames));
 137 } // namespace