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33 * Declares gmx::TrajectoryAnalysisCommandLineRunner.
35 * \author Teemu Murtola <teemu.murtola@cbr.su.se>
37 * \ingroup module_trajectoryanalysis
39 #ifndef GMX_TRAJECTORYANALYSIS_CMDLINERUNNER_H
40 #define GMX_TRAJECTORYANALYSIS_CMDLINERUNNER_H
42 #include "../utility/common.h"
47 class HelpWriterContext;
48 class TrajectoryAnalysisModule;
51 * Runner class for command-line analysis tools.
53 * This class implements a command-line analysis program, given a
54 * TrajectoryAnalysisModule object. It takes care of converting command-line
55 * parameters to a form understood by the module, as well as parsing common
56 * options, initializing and evaluating selections, and looping over trajectory
60 * \ingroup module_trajectoryanalysis
62 class TrajectoryAnalysisCommandLineRunner
66 * Create a new runner with the provided module.
68 * \param module Analysis module to run using the runner.
69 * \throws std::bad_alloc if out of memory.
71 * The caller should ensure that the provided module is not destroyed
72 * while the runner exists.
74 TrajectoryAnalysisCommandLineRunner(TrajectoryAnalysisModule *module);
75 ~TrajectoryAnalysisCommandLineRunner();
78 * Sets whether the runner will print the copyright header.
80 * \param[in] bPrint Whether to print the copyright header.
82 * By default, the copyright header is printed.
83 * This is used internally when executing the runner in a context where
84 * the copyright has already been printed at a higher level.
88 void setPrintCopyright(bool bPrint);
90 * Sets the default debugging level for selections.
92 * This is intended only for use by internal debugging tools.
96 * \see SelectionCollection::setDebugLevel()
98 void setSelectionDebugLevel(int debuglevel);
100 * Parses options from the given command line and runs the analysis.
102 * \throws multiple Exceptions are used to indicate errors.
103 * \returns Zero on success.
105 int run(int argc, char *argv[]);
107 * Prints help for the module, including common options from the runner.
109 * \param[in] context Context object for writing the help.
110 * \throws std::bad_alloc if out of memory.
111 * \throws FileIOError on any I/O error.
113 void writeHelp(const HelpWriterContext &context);
118 PrivateImplPointer<Impl> impl_;