2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2010,2011,2012, by the GROMACS development team, led by
5 * David van der Spoel, Berk Hess, Erik Lindahl, and including many
6 * others, as listed in the AUTHORS file in the top-level source
7 * directory and at http://www.gromacs.org.
9 * GROMACS is free software; you can redistribute it and/or
10 * modify it under the terms of the GNU Lesser General Public License
11 * as published by the Free Software Foundation; either version 2.1
12 * of the License, or (at your option) any later version.
14 * GROMACS is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
17 * Lesser General Public License for more details.
19 * You should have received a copy of the GNU Lesser General Public
20 * License along with GROMACS; if not, see
21 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24 * If you want to redistribute modifications to GROMACS, please
25 * consider that scientific software is very special. Version
26 * control is crucial - bugs must be traceable. We will be happy to
27 * consider code for inclusion in the official distribution, but
28 * derived work must not be called official GROMACS. Details are found
29 * in the README & COPYING files - if they are missing, get the
30 * official version at http://www.gromacs.org.
32 * To help us fund GROMACS development, we humbly ask that you cite
33 * the research papers on the package. Check out http://www.gromacs.org.
37 * Implements registerTrajectoryAnalysisModules().
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_trajectoryanalysis
42 #include "gromacs/trajectoryanalysis/modules.h"
44 #include "gromacs/commandline/cmdlinemodule.h"
45 #include "gromacs/commandline/cmdlinemodulemanager.h"
46 #include "gromacs/trajectoryanalysis/cmdlinerunner.h"
48 #include "modules/angle.h"
49 #include "modules/distance.h"
50 #include "modules/select.h"
59 * Base class for trajectory analysis module command-line wrappers.
61 * This class exists to avoid multiple identical copies of the \p run() method
62 * to be generated for the TrajAnalysisCmdLineWrapper template classes.
64 * \ingroup module_trajectoryanalysis
66 class AbstractTrajAnalysisCmdLineWrapper : public CommandLineModuleInterface
69 virtual const char *name() const = 0;
70 virtual const char *shortDescription() const = 0;
72 virtual int run(int argc, char *argv[]);
73 virtual void writeHelp(const HelpWriterContext &context) const;
76 //! Creates the analysis module for this wrapper.
77 virtual TrajectoryAnalysisModulePointer createModule() const = 0;
80 int AbstractTrajAnalysisCmdLineWrapper::run(int argc, char *argv[])
82 TrajectoryAnalysisModulePointer module(createModule());
83 TrajectoryAnalysisCommandLineRunner runner(module.get());
84 runner.setPrintCopyright(false);
85 return runner.run(argc, argv);
88 void AbstractTrajAnalysisCmdLineWrapper::writeHelp(const HelpWriterContext &context) const
90 TrajectoryAnalysisModulePointer module(createModule());
91 TrajectoryAnalysisCommandLineRunner runner(module.get());
92 runner.writeHelp(context);
96 * Template for command-line wrapper of a trajectory analysis module.
98 * \tparam Module Trajectory analysis module to wrap.
100 * \p Module should be default-constructible, derive from
101 * TrajectoryAnalysisModule, and have a static public members
102 * \c "const char name[]" and \c "const char shortDescription[]".
104 * \ingroup module_trajectoryanalysis
106 template <class Module>
107 class TrajAnalysisCmdLineWrapper : public AbstractTrajAnalysisCmdLineWrapper
110 virtual const char *name() const
114 virtual const char *shortDescription() const
116 return Module::shortDescription;
118 virtual TrajectoryAnalysisModulePointer createModule() const
120 return TrajectoryAnalysisModulePointer(new Module);
126 void registerTrajectoryAnalysisModules(CommandLineModuleManager *manager)
128 using namespace gmx::analysismodules;
129 manager->registerModule<TrajAnalysisCmdLineWrapper<Angle> >();
130 manager->registerModule<TrajAnalysisCmdLineWrapper<Distance> >();
131 manager->registerModule<TrajAnalysisCmdLineWrapper<Select> >();