Merge branch release-2018

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / tests / solvate.cpp

diff --git a/src/gromacs/gmxpreprocess/tests/solvate.cpp b/src/gromacs/gmxpreprocess/tests/solvate.cpp
index 6c4c03297442cc8bd0e1fc688bc3adc4897eacb9..8b8e6594593cded197500e4a7449b8013eb2a631 100644 (file)
--- a/src/gromacs/gmxpreprocess/tests/solvate.cpp
+++ b/src/gromacs/gmxpreprocess/tests/solvate.cpp
@@ -58,6 +58,7 @@ namespace
 
 using gmx::test::CommandLine;
 using gmx::test::ConfMatch;
+using gmx::test::ExactTextMatch;
 
 class SolvateTest : public gmx::test::CommandLineTestBase
 {
@@ -125,4 +126,24 @@ TEST_F(SolvateTest, shell_Works)
     runTest(CommandLine(cmdline));
 }
 
+TEST_F(SolvateTest, update_Topology_Works)
+{
+    // use solvent box with 2 solvents, check that topology has been updated
+    const char *const cmdline[] = {
+        "solvate"
+    };
+    setInputFile("-cs", "mixed_solvent.gro");
+    setInputFile("-cp", "simple.gro");
+
+    // TODO: Consider adding a convenience method for this.
+    // Copies topology file to where it would be found as an output file, so the copied
+    // .top file is used as both input and output
+    std::string topFileName           = gmx::test::TestFileManager::getInputFilePath("simple.top");
+    std::string modifiableTopFileName = fileManager().getTemporaryFilePath("simple.top");
+    gmx_file_copy(topFileName.c_str(), modifiableTopFileName.c_str(), true);
+    setOutputFile("-p", "simple.top", ExactTextMatch());
+
+    runTest(CommandLine(cmdline));
+}
+
 } // namespace