* \author Mark Abraham <mark.j.abraham@gmail.com>
* \ingroup module_mdrun
*/
-#include "moduletest.h"
+#include "gmxpre.h"
+
+#include "config.h"
#include <math.h>
#include "gromacs/utility/path.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/stringutil.h"
-
#include "programs/mdrun/mdrun_main.h"
#include "testutils/cmdlinetest.h"
+#include "moduletest.h"
+
namespace
{
/* Prepare grompp output filenames inside the new
temporary directory */
- mdpInputFileName = fileManager_.getTemporaryFilePath("input.mdp");
- mdpOutputFileName = fileManager_.getTemporaryFilePath("output.mdp");
- tprFileName = fileManager_.getTemporaryFilePath(".tpr");
+ runner_.mdpInputFileName_ = fileManager_.getTemporaryFilePath("input.mdp");
+ runner_.mdpOutputFileName_ = fileManager_.getTemporaryFilePath("output.mdp");
+ runner_.tprFileName_ = fileManager_.getTemporaryFilePath(".tpr");
mdrunCaller.addOption("-deffnm", fileManager_.getTestSpecificFileNameRoot());
}
occur. */
std::max(baseTemperature - 10 * rank, real(0)),
controlVariable);
- useStringAsMdpFile(mdpFileContents);
+ runner_.useStringAsMdpFile(mdpFileContents);
}
//! MPI process set size
organizeMultidir();
const char *pcoupl = GetParam();
organizeMdpFile(pcoupl);
- useTopGroAndNdxFromDatabase("spc2");
+ runner_.useTopGroAndNdxFromDatabase("spc2");
/* Call grompp on every rank - the standard callGrompp() only runs
grompp on rank 0. */
- EXPECT_EQ(0, callGromppOnThisRank());
+ EXPECT_EQ(0, runner_.callGromppOnThisRank());
mdrunCaller.addOption("-replex", 1);
ASSERT_EQ(0, gmx_mdrun(mdrunCaller.argc(), mdrunCaller.argv()));