X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fprograms%2Fmdrun%2Ftests%2Ftrajectory_writing.cpp;h=fafb1c3f929e8da53a230dab84ee291146b1bedb;hb=293630c584fc91d87438538030a612fce4ed31f3;hp=6ab2425320375cf6848d451d54436d2a3dc741ec;hpb=897da8f26d941a8ceb8f6d131d2a13198d19298f;p=alexxy%2Fgromacs.git diff --git a/src/programs/mdrun/tests/trajectory_writing.cpp b/src/programs/mdrun/tests/trajectory_writing.cpp index 6ab2425320..fafb1c3f92 100644 --- a/src/programs/mdrun/tests/trajectory_writing.cpp +++ b/src/programs/mdrun/tests/trajectory_writing.cpp @@ -69,13 +69,13 @@ class TrajectoryWritingTest : //! 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