Moved generic simulationdatabase code to testutils.
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Sun, 30 Dec 2018 16:25:50 +0000 (17:25 +0100)
committerPaul Bauer <paul.bauer.q@gmail.com>
Mon, 31 Dec 2018 09:41:00 +0000 (10:41 +0100)
Change-Id: Ib10473efd727d9eb7e296a7d75cdb2a28ad31cce

src/programs/mdrun/tests/CMakeLists.txt
src/programs/mdrun/tests/mimic.cpp
src/programs/mdrun/tests/minimize.cpp
src/programs/mdrun/tests/normalmodes.cpp
src/programs/mdrun/tests/rerun.cpp
src/testutils/CMakeLists.txt
src/testutils/simulationdatabase.cpp [moved from src/programs/mdrun/tests/simulationdatabase.cpp with 99% similarity]
src/testutils/simulationdatabase.h [moved from src/programs/mdrun/tests/simulationdatabase.h with 95% similarity]

index e56de915683660fe3e705902073c2e06c1e1f131..9a187972dc37b2a0e36cefec36fee2b57e6e7850 100644 (file)
@@ -38,7 +38,6 @@ add_library(mdrun_test_objlib OBJECT
     energyreader.cpp
     energycomparison.cpp
     moduletest.cpp
-    simulationdatabase.cpp
     terminationhelper.cpp
     trajectorycomparison.cpp
     trajectoryreader.cpp
index 90c0d57a0816c1844a0baccfeddbd4d0e33e7a86..98adef1b21bfdba3e277d5ecb58b5e08836c56b2 100644 (file)
 
 #include "testutils/cmdlinetest.h"
 #include "testutils/refdata.h"
+#include "testutils/simulationdatabase.h"
 
 #include "energycomparison.h"
 #include "energyreader.h"
 #include "moduletest.h"
-#include "simulationdatabase.h"
 
 namespace gmx
 {
index af14a7ddb492e765cc74bffa88e1a3760bef4a63..1ac72c7ee8464c184f3e3df692ef6806f23adf52 100644 (file)
 
 #include "testutils/mpitest.h"
 #include "testutils/refdata.h"
+#include "testutils/simulationdatabase.h"
 #include "testutils/testasserts.h"
 
 #include "energycomparison.h"
 #include "energyreader.h"
 #include "moduletest.h"
-#include "simulationdatabase.h"
 
 namespace gmx
 {
index e8a343de08a11ab7daefb703f0592a0faab91c71..a58da532d69b3b6af429f4298e8b91ac02caf1eb 100644 (file)
 
 #include "testutils/mpitest.h"
 #include "testutils/refdata.h"
+#include "testutils/simulationdatabase.h"
 #include "testutils/testasserts.h"
 #include "testutils/xvgtest.h"
 
 #include "energycomparison.h"
 #include "energyreader.h"
 #include "moduletest.h"
-#include "simulationdatabase.h"
 
 namespace gmx
 {
index fe0743dce909da69fc2bbbd91933c6f0c553a8b2..d384a151a64a46656d9672ed82e014a972b56832 100644 (file)
 #include "gromacs/utility/stringutil.h"
 
 #include "testutils/mpitest.h"
+#include "testutils/simulationdatabase.h"
 #include "testutils/testasserts.h"
 
 #include "energycomparison.h"
 #include "energyreader.h"
 #include "mdruncomparison.h"
 #include "moduletest.h"
-#include "simulationdatabase.h"
 #include "trajectorycomparison.h"
 #include "trajectoryreader.h"
 
index 73804b25dbf456c351baef90eac819af57412b86..5bcc6993b69900749a5457cc0040bee70854b34f 100644 (file)
@@ -48,6 +48,7 @@ set(TESTUTILS_SOURCES
     mpitest.cpp
     refdata.cpp
     refdata-xml.cpp
+    simulationdatabase.cpp
     stdiohelper.cpp
     stringtest.cpp
     testasserts.cpp
similarity index 99%
rename from src/programs/mdrun/tests/simulationdatabase.cpp
rename to src/testutils/simulationdatabase.cpp
index e8eee637cb3f155c8fe8b7822f5a37ff19ec44bc..78ad2f8e5d673501d01c9f800308c19c8fbd5f81 100644 (file)
@@ -37,7 +37,7 @@
  * Implements declarations from in simulationdatabase.h
  *
  * \author Mark Abraham <mark.j.abraham@gmail.com>
- * \ingroup module_mdrun_integration_tests
+ * \ingroup module_testutils
  */
 #include "gmxpre.h"
 
similarity index 95%
rename from src/programs/mdrun/tests/simulationdatabase.h
rename to src/testutils/simulationdatabase.h
index a3d4d89083f217dbd68ab268673ea3e6ebbb43cd..8298093269ba44ce850229354c2267bf01aecc1e 100644 (file)
  * To help us fund GROMACS development, we humbly ask that you cite
  * the research papers on the package. Check out http://www.gromacs.org.
  */
-/*! \libinternal
+/*! \libinternal \file
  *
  * \brief Functionality for testing whether calls to mdrun produce the
  * same energy and force quantities when they should do so.
+ * \author Mark Abraham <mark.j.abraham@gmail.com>
+ * \inlibraryapi
+ * \ingroup module_testutils
  */
-#ifndef GMX_MDRUN_TESTS_SIMULATIONDATABASE_H
-#define GMX_MDRUN_TESTS_SIMULATIONDATABASE_H
+#ifndef GMX_TESTUTILS__SIMULATIONDATABASE_H
+#define GMX_TESTUTILS__SIMULATIONDATABASE_H
 
 #include <map>
 #include <string>