//! Execute the trajectory writing test
void runTest()
{
- useStringAsMdpFile(theMdpFile);
- useTopGroAndNdxFromDatabase("spc-and-methanol");
- EXPECT_EQ(0, callGrompp());
+ runner_.useStringAsMdpFile(theMdpFile);
+ runner_.useTopGroAndNdxFromDatabase("spc-and-methanol");
+ EXPECT_EQ(0, runner_.callGrompp());
- fullPrecisionTrajectoryFileName = fileManager_.getTemporaryFilePath("spc-and-methanol.tng");
- reducedPrecisionTrajectoryFileName = fileManager_.getTemporaryFilePath("spc-and-methanol-reduced.tng");
- ASSERT_EQ(0, callMdrun());
+ runner_.fullPrecisionTrajectoryFileName_ = fileManager_.getTemporaryFilePath("spc-and-methanol.tng");
+ runner_.reducedPrecisionTrajectoryFileName_ = fileManager_.getTemporaryFilePath("spc-and-methanol-reduced.tng");
+ ASSERT_EQ(0, runner_.callMdrun());
// TODO When there is a way to sense something like the
// output of gmx check, compare the result with that from
// writing .trr and .xtc and assert the behaviour is