src/gromacs/tools/tests/report_methods.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Tests for functionality of the "report" tool to write system information.
  38  *
  39  * \author Paul Bauer <paul.bauer.q@gmail.com>
  40  */
  41 #include "gmxpre.h"
  42
  43 #include "gromacs/tools/report_methods.h"
  44
  45 #include "gromacs/fileio/tpxio.h"
  46 #include "gromacs/gmxpreprocess/grompp.h"
  47 #include "gromacs/mdtypes/inputrec.h"
  48 #include "gromacs/mdtypes/state.h"
  49 #include "gromacs/topology/topology.h"
  50 #include "gromacs/utility/exceptions.h"
  51 #include "gromacs/utility/stringstream.h"
  52 #include "gromacs/utility/textwriter.h"
  53
  54 #include "testutils/cmdlinetest.h"
  55 #include "testutils/refdata.h"
  56 #include "testutils/testfilemanager.h"
  57 #include "testutils/textblockmatchers.h"
  58 #include "testutils/tprfilegenerator.h"
  59
  60 namespace gmx
  61 {
  62
  63 namespace test
  64 {
  65
  66 class ReportMethodsTest : public ::testing::Test
  67 {
  68 protected:
  69     // TODO this is changed in newer googletest versions
  70     //! Prepare shared resources.
  71     static void SetUpTestCase() { s_tprFileHandle = new TprAndFileManager("lysozyme"); }
  72     //! Clean up shared resources.
  73     static void TearDownTestCase()
  74     {
  75         delete s_tprFileHandle;
  76         s_tprFileHandle = nullptr;
  77     }
  78     //! Storage for opened file handles.
  79     static TprAndFileManager* s_tprFileHandle;
  80 };
  81
  82 TprAndFileManager* ReportMethodsTest::s_tprFileHandle = nullptr;
  83
  84 /*! \brief
  85  * Reads a tpr for the test.
  86  *
  87  * Reads a tpr to have access to the system information for print out.
  88  *
  89  * \param[in] tprHandle Handle to the tpr to red in.
  90  * \param[in] mtop Pointer to topology datastructure to populate.
  91  * \param[in] ir Pointer to inputrec to populate.
  92  */
  93 static void readTprInput(const TprAndFileManager* tprHandle, gmx_mtop_t* mtop, t_inputrec* ir)
  94 {
  95     // read tpr into variables needed for output
  96     {
  97         t_state state;
  98         read_tpx_state(tprHandle->tprName().c_str(), ir, &state, mtop);
  99     }
 100 }
 101
 102 TEST_F(ReportMethodsTest, WritesCorrectHeadersFormated)
 103 {
 104     gmx::StringOutputStream stream;
 105     gmx::TextWriter         test(&stream);
 106     writeHeader(&test, "Test", "Test", true);
 107
 108     std::string referenceString = "\\Test{Test}\n";
 109
 110     EXPECT_EQ(stream.toString(), referenceString);
 111 }
 112 TEST_F(ReportMethodsTest, WritesCorrectHeadersUnformatted)
 113 {
 114     gmx::StringOutputStream stream;
 115     gmx::TextWriter         test(&stream);
 116     writeHeader(&test, "Test", "Test", false);
 117
 118     std::string referenceString = "Test: Test\n";
 119
 120     EXPECT_EQ(stream.toString(), referenceString);
 121 }
 122
 123 TEST_F(ReportMethodsTest, WritesCorrectInformation)
 124 {
 125     gmx_mtop_t top;
 126     t_inputrec ir;
 127     EXPECT_NO_THROW(readTprInput(s_tprFileHandle, &top, &ir));
 128
 129     // Test both formatted and unformatted output in the same test
 130     {
 131         gmx::StringOutputStream stream;
 132         gmx::TextWriter         test(&stream);
 133
 134         writeSystemInformation(&test, top, true);
 135
 136         std::string referenceString =
 137                 "\\subsection{Simulation system}\n"
 138                 "A system of 1 molecules (156 atoms) was simulated.\n";
 139
 140         EXPECT_EQ(stream.toString(), referenceString);
 141     }
 142
 143     {
 144         gmx::StringOutputStream stream;
 145         gmx::TextWriter         test(&stream);
 146
 147         writeSystemInformation(&test, top, false);
 148
 149         std::string referenceString =
 150                 "subsection: Simulation system\n"
 151                 "A system of 1 molecules (156 atoms) was simulated.\n";
 152
 153         EXPECT_EQ(stream.toString(), referenceString);
 154     }
 155
 156     // Test for correct parameter information as well
 157     {
 158         gmx::StringOutputStream stream;
 159         gmx::TextWriter         test(&stream);
 160
 161         writeParameterInformation(&test, ir, true);
 162
 163         std::string referenceString =
 164                 "\\subsection{Simulation settings}\n"
 165                 "A total of 0 ns were simulated with a time step of 1 fs.\n"
 166                 "Neighbor searching was performed every 10 steps.\n"
 167                 "The Cut-off algorithm was used for electrostatic interactions.\n"
 168                 "with a cut-off of 1 nm.\nA single cut-off of 1.1 nm was used "
 169                 "for Van der Waals interactions.\n";
 170
 171         EXPECT_EQ(stream.toString(), referenceString);
 172     }
 173 }
 174
 175 TEST_F(ReportMethodsTest, ToolEndToEndTest)
 176 {
 177     const char* const command[] = { "report-methods", "-s", s_tprFileHandle->tprName().c_str() };
 178     CommandLine       cmdline(command);
 179     EXPECT_EQ(0, gmx::test::CommandLineTestHelper::runModuleFactory(&gmx::ReportMethodsInfo::create,
 180                                                                     &cmdline));
 181 }
 182
 183 } // namespace test
 184
 185 } // namespace gmx