/*
* 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/angle.h"
+#include <gtest/gtest.h>
+
#include "testutils/cmdlinetest.h"
#include "moduletest.h"
"-binw", "60"
};
setTopology("angle.gro");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(AngleModuleTest, ComputesDihedrals)
"-binw", "120"
};
setTopology("angle.gro");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(AngleModuleTest, ComputesVectorPairAngles)
"-binw", "60"
};
setTopology("angle.gro");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(AngleModuleTest, ComputesVectorPlanePairAngles)
"-binw", "60"
};
setTopology("angle.gro");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(AngleModuleTest, ComputesPlaneZAxisAngles)
"-binw", "60"
};
setTopology("angle.gro");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(AngleModuleTest, ComputesVectorSphereNormalZAxisAngles)
"-binw", "60"
};
setTopology("angle.gro");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(AngleModuleTest, ComputesVectorTimeZeroAngles)
};
setTopology("angle.gro");
setTrajectory("angle.gro");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(AngleModuleTest, ComputesMultipleAngles)
"-binw", "60"
};
setTopology("angle.gro");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(AngleModuleTest, HandlesDynamicSelections)
"-binw", "60"
};
setTopology("angle.gro");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(AngleModuleTest, HandlesOneVsMultipleVectorAngles)
"-binw", "60"
};
setTopology("angle.gro");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
TEST_F(AngleModuleTest, HandlesOneVsMultipleVectorGroupsAngles)
"-binw", "60"
};
setTopology("angle.gro");
- runTest(CommandLine::create(cmdline));
+ runTest(CommandLine(cmdline));
}
} // namespace