/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * 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.
* \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"
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