src/programs/mdrun/tests/interactiveMD.cpp

   1 /*
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  35
  36 /*! \internal \file
  37  * \brief
  38  * Tests utilities for interactive molecular dynamics (IMD) setups.
  39  *
  40  * \author Carsten Kutzner <ckutzne@gwdg.de>
  41  * \ingroup module_mdrun_integration_tests
  42  */
  43 #include "gmxpre.h"
  44
  45 #include "moduletest.h"
  46
  47 namespace gmx
  48 {
  49 namespace test
  50 {
  51
  52 class ImdTestFixture : public MdrunTestFixture
  53 {
  54     protected:
  55         ImdTestFixture();
  56         ~ImdTestFixture();
  57 };
  58
  59
  60 ImdTestFixture::ImdTestFixture()
  61 {
  62 }
  63
  64 ImdTestFixture::~ImdTestFixture()
  65 {
  66 }
  67
  68
  69 //! Test fixture for mdrun with IMD settings
  70 typedef gmx::test::ImdTestFixture ImdTest;
  71
  72 /* If GROMACS was compiled with IMD support, this test checks
  73  * - whether the IMD-group parameter from the .mdp file is understood,
  74  * - whether mdrun understands the IMD-related command line parameters -imdpull, -imdwait, -imdterm,
  75  * - whether mdrun finishes without error when IMD is enabled.
  76  */
  77 TEST_F(ImdTest, ImdCanRun)
  78 {
  79     std::string name = "spc2";
  80     runner_.useTopGroAndNdxFromDatabase(name.c_str());
  81     runner_.mdpInputFileName_ = fileManager_.getInputFilePath((name + "-IMD.mdp").c_str());
  82
  83     EXPECT_EQ(0, runner_.callGrompp());
  84
  85     ::gmx::test::CommandLine imdCaller;
  86     imdCaller.addOption("-imdport", 0); // automatically assign a free port
  87     imdCaller.append("-imdpull");
  88     imdCaller.append("-noimdwait");     // cannot use -imdwait: then mdrun would not return control ...
  89     imdCaller.append("-noimdterm");
  90
  91     // Do an mdrun with IMD enabled
  92     ASSERT_EQ(0, runner_.callMdrun(imdCaller));
  93 }
  94
  95
  96
  97 } // namespace test
  98 } // namespace gmx