src/programs/mdrun/tests/termination.cpp

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
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   4  * Copyright (c) 2016, by the GROMACS development team, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   6  * and including many others, as listed in the AUTHORS file in the
   7  * top-level source directory and at http://www.gromacs.org.
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  35
  36 /*! \internal \file
  37  * \brief
  38  * Tests for the mdrun termination 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 <gtest/gtest.h>
  46
  47 #include "testutils/testfilemanager.h"
  48
  49 #include "moduletest.h"
  50 #include "terminationhelper.h"
  51
  52 namespace gmx
  53 {
  54 namespace test
  55 {
  56
  57 //! Build a simple .mdp file
  58 void organizeMdpFile(SimulationRunner *runner)
  59 {
  60     // Make sure -maxh has a chance to propagate
  61     runner->useStringAsMdpFile("nsteps = 100\n"
  62                                "tcoupl = v-rescale\n"
  63                                "tc-grps = System\n"
  64                                "tau-t = 1\n"
  65                                "ref-t = 298\n");
  66 }
  67
  68 //! Convenience typedef
  69 typedef MdrunTestFixture MdrunTerminationTest;
  70
  71 TEST_F(MdrunTerminationTest, WritesCheckpointAfterMaxhTerminationAndThenRestarts)
  72 {
  73     CommandLine       mdrunCaller;
  74     mdrunCaller.append("mdrun");
  75     TerminationHelper helper(&fileManager_, &mdrunCaller, &runner_);
  76
  77     organizeMdpFile(&runner_);
  78     EXPECT_EQ(0, runner_.callGrompp());
  79
  80     helper.runFirstMdrun(runner_.cptFileName_);
  81     helper.runSecondMdrun();
  82 }
  83
  84 } // namespace
  85 } // namespace