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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 TrajectoryAnalysisModule;
50 * Runner class for command-line analysis tools.
52 * This class implements a command-line analysis program, given a
53 * TrajectoryAnalysisModule object. It takes care of converting command-line
54 * parameters to a form understood by the module, as well as parsing common
55 * options, initializing and evaluating selections, and looping over trajectory
59 * \ingroup module_trajectoryanalysis
61 class TrajectoryAnalysisCommandLineRunner
65 * Create a new runner with the provided module.
67 * \param module Analysis module to run using the runner.
68 * \throws std::bad_alloc if out of memory.
70 * The caller should ensure that the provided module is not destroyed
71 * while the runner exists.
73 TrajectoryAnalysisCommandLineRunner(TrajectoryAnalysisModule *module);
74 ~TrajectoryAnalysisCommandLineRunner();
77 * Sets the default debugging level for selections.
79 * This is intended only for use by internal debugging tools.
83 * \see SelectionCollection::setDebugLevel()
85 void setSelectionDebugLevel(int debuglevel);
87 * Parses options from the given command line and runs the analysis.
89 * \throws multiple Exceptions are used to indicate errors.
90 * \returns Zero on success.
92 int run(int argc, char *argv[]);
97 PrivateImplPointer<Impl> _impl;