X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fprograms%2Fmdrun%2Ftests%2Fswapcoords.cpp;h=ac43152206629f9ce99050335086a71eafb09cbd;hb=293630c584fc91d87438538030a612fce4ed31f3;hp=7f12d33b1bdea646df34a6146040d1c224d0c0de;hpb=897da8f26d941a8ceb8f6d131d2a13198d19298f;p=alexxy%2Fgromacs.git diff --git a/src/programs/mdrun/tests/swapcoords.cpp b/src/programs/mdrun/tests/swapcoords.cpp index 7f12d33b1b..ac43152206 100644 --- a/src/programs/mdrun/tests/swapcoords.cpp +++ b/src/programs/mdrun/tests/swapcoords.cpp @@ -77,29 +77,29 @@ typedef gmx::test::SwapTestFixture CompelTest; TEST_F(CompelTest, SwapCanRun) { std::string name = "OctaneSandwich"; - useTopGroAndNdxFromDatabase(name.c_str()); - mdpInputFileName = fileManager_.getInputFilePath((name + ".mdp").c_str()); + runner_.useTopGroAndNdxFromDatabase(name.c_str()); + runner_.mdpInputFileName_ = fileManager_.getInputFilePath((name + ".mdp").c_str()); - EXPECT_EQ(0, callGrompp()); + EXPECT_EQ(0, runner_.callGrompp()); - cptFileName = fileManager_.getTemporaryFilePath(".cpt"); - groOutputFileName = fileManager_.getTemporaryFilePath(".gro"); - swapFileName = fileManager_.getTemporaryFilePath("swap.xvg"); + runner_.cptFileName_ = fileManager_.getTemporaryFilePath(".cpt"); + runner_.groOutputFileName_ = fileManager_.getTemporaryFilePath(".gro"); + runner_.swapFileName_ = fileManager_.getTemporaryFilePath("swap.xvg"); ::gmx::test::CommandLine swapCaller; swapCaller.append("mdrun"); - swapCaller.addOption("-c", groOutputFileName); - swapCaller.addOption("-swap", swapFileName); + swapCaller.addOption("-c", runner_.groOutputFileName_); + swapCaller.addOption("-swap", runner_.swapFileName_); // Do an initial mdrun that writes a checkpoint file ::gmx::test::CommandLine firstCaller(swapCaller); - firstCaller.addOption("-cpo", cptFileName); - ASSERT_EQ(0, callMdrun(firstCaller)); + firstCaller.addOption("-cpo", runner_.cptFileName_); + ASSERT_EQ(0, runner_.callMdrun(firstCaller)); // Continue mdrun from that checkpoint file ::gmx::test::CommandLine secondCaller(swapCaller); - secondCaller.addOption("-cpi", cptFileName); - nsteps = 2; - ASSERT_EQ(0, callMdrun(secondCaller)); + secondCaller.addOption("-cpi", runner_.cptFileName_); + runner_.nsteps_ = 2; + ASSERT_EQ(0, runner_.callMdrun(secondCaller)); }