src/gromacs/gmxana/legacytests/gmx_traj_tests.cpp

   1 /*
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  35 /*! \internal \file
  36  * \brief
  37  * Tests for gmx traj
  38  *
  39  * \author Mark Abraham <mark.j.abraham@gmail.com>
  40  */
  41
  42 #include "gmxpre.h"
  43
  44 #include "config.h"
  45
  46 #include "gromacs/gmxana/gmx_ana.h"
  47 #include "gromacs/utility/arrayref.h"
  48
  49 #include "testutils/cmdlinetest.h"
  50 #include "testutils/integrationtests.h"
  51
  52 namespace
  53 {
  54
  55 class GmxTraj : public gmx::test::IntegrationTestFixture,
  56                 public ::testing::WithParamInterface<const char *>
  57 {
  58     public:
  59         GmxTraj() : groFileName(fileManager_.getInputFilePath("spc2.gro")),
  60                     xvgFileName(fileManager_.getTemporaryFilePath("spc2.xvg"))
  61         {
  62         }
  63
  64         int runTest(const char *fileName)
  65         {
  66             gmx::test::CommandLine caller;
  67             caller.append("traj");
  68
  69             caller.addOption("-s",  groFileName);
  70             caller.addOption("-ox", xvgFileName);
  71
  72             std::string inputTrajectoryFileName = fileManager_.getInputFilePath(fileName);
  73             caller.addOption("-f", inputTrajectoryFileName);
  74
  75             redirectStringToStdin("0\n");
  76
  77             return gmx_traj(caller.argc(), caller.argv());
  78         }
  79
  80         std::string groFileName;
  81         std::string xvgFileName;
  82 };
  83
  84 /* TODO These tests are actually not very effective, because gmx-traj
  85  * can only return 0 or exit via gmx_fatal() (which currently also
  86  * exits the test binary). So, "no XDR/TNG support in the binary"
  87  * leads to the reading test appearing to pass. Still, no fatal error
  88  * and no segfault is useful information while modifying such code. */
  89
  90 TEST_P(GmxTraj, WithDifferentInputFormats)
  91 {
  92     runTest(GetParam());
  93 }
  94
  95 // ==
  96
  97 class TrjconvWithIndexGroupSubset : public gmx::test::IntegrationTestFixture,
  98                                     public ::testing::WithParamInterface<const char *>
  99 {
 100     public:
 101         int runTest(const char *fileName)
 102         {
 103             gmx::test::CommandLine caller;
 104             caller.append("trjconv");
 105
 106             caller.addOption("-s", fileManager_.getInputFilePath("spc2.gro"));
 107
 108             std::string inputTrajectoryFileName = fileManager_.getInputFilePath(fileName);
 109             caller.addOption("-f", inputTrajectoryFileName);
 110
 111             std::string ndxFileName = fileManager_.getInputFilePath("spc2.ndx");
 112             caller.addOption("-n", ndxFileName);
 113
 114             caller.addOption("-o", fileManager_.getTemporaryFilePath("spc-traj.tng"));
 115
 116             redirectStringToStdin("SecondWaterMolecule\n");
 117
 118             /* TODO Ideally, we would then check that the output file
 119                has only 3 of the 6 atoms (which it does), but the
 120                infrastructure for doing that automatically is still
 121                being built. This would also fix the TODO below. */
 122             return gmx_trjconv(caller.argc(), caller.argv());
 123         }
 124 };
 125 /* TODO These tests are actually not very effective, because trjconv
 126  * can only return 0 or exit via gmx_fatal() (which currently also
 127  * exits the test binary). So, "no XDR/TNG support in the binary"
 128  * leads to the reading test appearing to pass. Still, no fatal error
 129  * and no segfault is useful information while modifying such code. */
 130
 131 TEST_P(TrjconvWithIndexGroupSubset, WithDifferentInputFormats)
 132 {
 133     runTest(GetParam());
 134 }
 135
 136 // ==
 137
 138 /*! \brief Helper array of input files present in the source repo
 139  * database. These all have two identical frames of two SPC water
 140  * molecules, which were generated via trjconv from the .gro
 141  * version. */
 142 const char *trajectoryFileNames[] = {
 143     "spc2-traj.trr",
 144 #if GMX_USE_TNG
 145     "spc2-traj.tng",
 146 #endif
 147     "spc2-traj.xtc",
 148     "spc2-traj.gro",
 149     "spc2-traj.pdb",
 150     "spc2-traj.g96"
 151 };
 152
 153 INSTANTIATE_TEST_CASE_P(NoFatalErrorWhenWritingFrom,
 154                         GmxTraj,
 155                             ::testing::ValuesIn(gmx::ArrayRef<const char*>(trajectoryFileNames)));
 156
 157 INSTANTIATE_TEST_CASE_P(NoFatalErrorWhenWritingFrom,
 158                         TrjconvWithIndexGroupSubset,
 159                             ::testing::ValuesIn(gmx::ArrayRef<const char*>(trajectoryFileNames)));
 160
 161 } // namespace