3 * This source code is part of
7 * GROningen MAchine for Chemical Simulations
9 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
10 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
11 * Copyright (c) 2001-2009, The GROMACS development team,
12 * check out http://www.gromacs.org for more information.
14 * This program is free software; you can redistribute it and/or
15 * modify it under the terms of the GNU General Public License
16 * as published by the Free Software Foundation; either version 2
17 * of the License, or (at your option) any later version.
19 * If you want to redistribute modifications, please consider that
20 * scientific software is very special. Version control is crucial -
21 * bugs must be traceable. We will be happy to consider code for
22 * inclusion in the official distribution, but derived work must not
23 * be called official GROMACS. Details are found in the README & COPYING
24 * files - if they are missing, get the official version at www.gromacs.org.
26 * To help us fund GROMACS development, we humbly ask that you cite
27 * the papers on the package - you can find them in the top README file.
29 * For more info, check our website at http://www.gromacs.org
33 * Implements registerTrajectoryAnalysisModules().
35 * \author Teemu Murtola <teemu.murtola@cbr.su.se>
36 * \ingroup module_trajectoryanalysis
38 #include "gromacs/trajectoryanalysis/modules.h"
40 #include "gromacs/commandline/cmdlinemodule.h"
41 #include "gromacs/commandline/cmdlinemodulemanager.h"
42 #include "gromacs/trajectoryanalysis/cmdlinerunner.h"
44 #include "modules/angle.h"
45 #include "modules/distance.h"
46 #include "modules/select.h"
55 * Base class for trajectory analysis module command-line wrappers.
57 * This class exists to avoid multiple identical copies of the \p run() method
58 * to be generated for the TrajAnalysisCmdLineWrapper template classes.
60 * \ingroup module_trajectoryanalysis
62 class AbstractTrajAnalysisCmdLineWrapper : public CommandLineModuleInterface
65 virtual const char *name() const = 0;
66 virtual const char *shortDescription() const = 0;
68 virtual int run(int argc, char *argv[]);
71 //! Creates the analysis module for this wrapper.
72 virtual TrajectoryAnalysisModulePointer createModule() = 0;
75 int AbstractTrajAnalysisCmdLineWrapper::run(int argc, char *argv[])
77 TrajectoryAnalysisModulePointer module(createModule());
78 TrajectoryAnalysisCommandLineRunner runner(module.get());
79 runner.setPrintCopyright(false);
80 return runner.run(argc, argv);
84 * Template for command-line wrapper of a trajectory analysis module.
86 * \tparam Module Trajectory analysis module to wrap.
88 * \p Module should be default-constructible, derive from
89 * TrajectoryAnalysisModule, and have a static public members
90 * \c "const char name[]" and \c "const char shortDescription[]".
92 * \ingroup module_trajectoryanalysis
94 template <class Module>
95 class TrajAnalysisCmdLineWrapper : public AbstractTrajAnalysisCmdLineWrapper
98 virtual const char *name() const
102 virtual const char *shortDescription() const
104 return Module::shortDescription;
106 virtual TrajectoryAnalysisModulePointer createModule()
108 return TrajectoryAnalysisModulePointer(new Module);
114 void registerTrajectoryAnalysisModules(CommandLineModuleManager *manager)
116 using namespace gmx::analysismodules;
117 manager->registerModule<TrajAnalysisCmdLineWrapper<Angle> >();
118 manager->registerModule<TrajAnalysisCmdLineWrapper<Distance> >();
119 manager->registerModule<TrajAnalysisCmdLineWrapper<Select> >();