/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012, by the GROMACS development team, led by
- * David van der Spoel, Berk Hess, Erik Lindahl, and including many
- * others, as listed in the AUTHORS file in the top-level source
- * directory and at http://www.gromacs.org.
+ * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
*
* GROMACS is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public License
* \author Teemu Murtola <teemu.murtola@gmail.com>
* \ingroup module_trajectoryanalysis
*/
-#include <gtest/gtest.h>
+#include "gmxpre.h"
#include "gromacs/trajectoryanalysis/modules/select.h"
+#include <gtest/gtest.h>
+
#include "testutils/cmdlinetest.h"
#include "moduletest.h"
*/
//! Test fixture for the select analysis module.
-typedef gmx::test::TrajectoryAnalysisModuleTestFixture<gmx::analysismodules::Select>
+typedef gmx::test::TrajectoryAnalysisModuleTestFixture<gmx::analysismodules::SelectInfo>
SelectModuleTest;
TEST_F(SelectModuleTest, BasicTest)
setOutputFile("-oi", "index.dat");
setOutputFile("-on", "index.ndx");
excludeDataset("cfrac");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(SelectModuleTest, HandlesPDBOutputWithNonPDBInput)
setTrajectory("simple.gro");
includeDataset("occupancy");
setOutputFile("-ofpdb", "occupancy.pdb");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(SelectModuleTest, HandlesPDBOutputWithPDBInput)
setTrajectory("simple.gro");
includeDataset("occupancy");
setOutputFile("-ofpdb", "occupancy.pdb");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(SelectModuleTest, HandlesMaxPDBOutput)
setTrajectory("simple.gro");
includeDataset("occupancy");
setOutputFile("-ofpdb", "occupancy.pdb");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(SelectModuleTest, HandlesSelectedPDBOutput)
setTrajectory("simple.gro");
includeDataset("occupancy");
setOutputFile("-ofpdb", "occupancy.pdb");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(SelectModuleTest, NormalizesSizes)
};
setTopology("simple.gro");
includeDataset("size");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(SelectModuleTest, WritesResidueNumbers)
};
setTopology("simple.gro");
includeDataset("index");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(SelectModuleTest, WritesResidueIndices)
};
setTopology("simple.gro");
includeDataset("index");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
} // namespace