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37 * Declares gmx::TrajectoryAnalysisCommandLineRunner.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
41 * \ingroup module_trajectoryanalysis
43 #ifndef GMX_TRAJECTORYANALYSIS_CMDLINERUNNER_H
44 #define GMX_TRAJECTORYANALYSIS_CMDLINERUNNER_H
46 #include "../utility/common.h"
51 class HelpWriterContext;
52 class TrajectoryAnalysisModule;
55 * Runner class for command-line analysis tools.
57 * This class implements a command-line analysis program, given a
58 * TrajectoryAnalysisModule object. It takes care of converting command-line
59 * parameters to a form understood by the module, as well as parsing common
60 * options, initializing and evaluating selections, and looping over trajectory
64 * \ingroup module_trajectoryanalysis
66 class TrajectoryAnalysisCommandLineRunner
70 * Create a new runner with the provided module.
72 * \param module Analysis module to run using the runner.
73 * \throws std::bad_alloc if out of memory.
75 * The caller should ensure that the provided module is not destroyed
76 * while the runner exists.
78 TrajectoryAnalysisCommandLineRunner(TrajectoryAnalysisModule *module);
79 ~TrajectoryAnalysisCommandLineRunner();
82 * Sets whether the runner will print standalone messages.
84 * \param[in] bStandalone Whether the runner is run directly from main().
86 * By default, the runner takes responsibility of printing some
87 * standard Gromacs messages at startup and at the end.
88 * This is used internally when executing the runner in a context where
89 * these messages are handled on a higher level.
93 void setStandalone(bool bStandalone);
95 * Sets the default debugging level for selections.
97 * This is intended only for use by internal debugging tools.
101 * \see SelectionCollection::setDebugLevel()
103 void setSelectionDebugLevel(int debuglevel);
105 * Parses options from the given command line and runs the analysis.
107 * \throws multiple Exceptions are used to indicate errors.
108 * \returns Zero on success.
110 int run(int argc, char *argv[]);
112 * Prints help for the module, including common options from the runner.
114 * \param[in] context Context object for writing the help.
115 * \throws std::bad_alloc if out of memory.
116 * \throws FileIOError on any I/O error.
118 void writeHelp(const HelpWriterContext &context);
123 PrivateImplPointer<Impl> impl_;