src/programs/mdrun/tests/compressed_x_output.cpp

   1 /*
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  35
  36 /*! \internal \file
  37  * \brief
  38  * Tests for the mdrun -x functionality
  39  *
  40  * \author Mark Abraham <mark.j.abraham@gmail.com>
  41  * \ingroup module_mdrun_integration_tests
  42  */
  43 #include "gmxpre.h"
  44
  45 #include <string>
  46
  47 #include <gtest/gtest.h>
  48
  49 #include "gromacs/options/filenameoption.h"
  50 #include "gromacs/tools/check.h"
  51
  52 #include "testutils/cmdlinetest.h"
  53
  54 #include "moduletest.h"
  55
  56 namespace
  57 {
  58
  59 //! Test fixture for mdrun -x
  60 class MdrunCompressedXOutputTest : public gmx::test::MdrunTestFixture,
  61                                    public testing::WithParamInterface<const char*>
  62 {
  63 };
  64
  65 //! Helper typedef for naming test cases like sentences
  66 typedef MdrunCompressedXOutputTest MdrunCompressedXOutput;
  67
  68 /* This test tests a few ways that mdrun can write a compressed trajectory. */
  69 TEST_P(MdrunCompressedXOutput, ExitsNormally)
  70 {
  71     std::string mdpFile("cutoff-scheme = Group\n"
  72                         "nsteps = 1\n"
  73                         "nstxout-compressed = 1\n");
  74     std::string compressedXGrpsLine = GetParam();
  75     mdpFile += compressedXGrpsLine;
  76     runner_.useStringAsMdpFile(mdpFile.c_str());
  77     runner_.useTopGroAndNdxFromDatabase("spc2");
  78     ASSERT_EQ(0, runner_.callGrompp());
  79
  80     runner_.reducedPrecisionTrajectoryFileName_ = fileManager_.getTemporaryFilePath(".xtc");
  81     ASSERT_EQ(0, runner_.callMdrun());
  82
  83     ::gmx::test::CommandLine checkCaller;
  84     checkCaller.append("check");
  85     checkCaller.addOption("-f", runner_.reducedPrecisionTrajectoryFileName_);
  86     ASSERT_EQ(0, gmx_check(checkCaller.argc(), checkCaller.argv()));
  87 }
  88
  89 INSTANTIATE_TEST_CASE_P(WithDifferentOutputGroupSettings, MdrunCompressedXOutput,
  90                             ::testing::Values
  91                             ( // Test writing the whole system via
  92                               // the default behaviour
  93                             "",
  94
  95                             // Test writing the whole system
  96                             // explicitly
  97                             "compressed-x-grps = System\n",
  98
  99                             // Test writing only part of the system.
 100                             // It would be nice to check that this test
 101                             // writes 3 atoms and the others write 6, but
 102                             // that's not yet easy.
 103                             "compressed-x-grps = SecondWaterMolecule\n"
 104                             ));
 105
 106 } // namespace