Add TNG writing and reading support

[alexxy/gromacs.git] / src / programs / mdrun / tests / moduletest.cpp

diff --git a/src/programs/mdrun/tests/moduletest.cpp b/src/programs/mdrun/tests/moduletest.cpp
index ffa29f3dfb236f5b63f96cf3d2f765f8fbbc4d26..91320d5f20871b05a89291e2d265a1b9efdee0b9 100644 (file)
--- a/src/programs/mdrun/tests/moduletest.cpp
+++ b/src/programs/mdrun/tests/moduletest.cpp
@@ -92,7 +92,7 @@ GMX_TEST_OPTIONS(MdrunTestOptions, options)
 MdrunTestFixture::MdrunTestFixture() :
     topFileName(),
     groFileName(),
-    trrFileName(),
+    fullPrecisionTrajectoryFileName(),
     ndxFileName(),
     mdpInputFileName(fileManager_.getTemporaryFilePath("input.mdp")),
     mdpOutputFileName(fileManager_.getTemporaryFilePath("output.mdp")),
@@ -121,6 +121,12 @@ MdrunTestFixture::useEmptyMdpFile()
 
 void
 MdrunTestFixture::useStringAsMdpFile(const char *mdpString)
+{
+    useStringAsMdpFile(std::string(mdpString));
+}
+
+void
+MdrunTestFixture::useStringAsMdpFile(const std::string &mdpString)
 {
     gmx::File::writeFileFromString(mdpInputFileName, mdpString);
 }
@@ -175,8 +181,10 @@ MdrunTestFixture::callMdrun(const CommandLine &callerRef)
 
     caller.addOption("-g", logFileName);
     caller.addOption("-e", edrFileName);
-    caller.addOption("-o", trrFileName);
-    caller.addOption("-x", xtcFileName);
+    caller.addOption("-o", fullPrecisionTrajectoryFileName);
+    caller.addOption("-x", reducedPrecisionTrajectoryFileName);
+
+    caller.addOption("-deffnm", fileManager_.getTemporaryFilePath("state"));
 
 #ifdef GMX_THREAD_MPI
     caller.addOption("-nt", numThreads);