src/gromacs/trajectoryanalysis/cmdlinerunner.h

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  35 /*! \file
  36  * \brief
  37  * Declares gmx::TrajectoryAnalysisCommandLineRunner.
  38  *
  39  * \author Teemu Murtola <teemu.murtola@gmail.com>
  40  * \inpublicapi
  41  * \ingroup module_trajectoryanalysis
  42  */
  43 #ifndef GMX_TRAJECTORYANALYSIS_CMDLINERUNNER_H
  44 #define GMX_TRAJECTORYANALYSIS_CMDLINERUNNER_H
  45
  46 #include <functional>
  47 #include <memory>
  48
  49 #include "gromacs/trajectoryanalysis/analysismodule.h"
  50
  51 namespace gmx
  52 {
  53
  54 class CommandLineModuleManager;
  55 class ICommandLineOptionsModule;
  56
  57 /*! \brief
  58  * Runner for command-line trajectory analysis tools.
  59  *
  60  * This class provides static methods to implement a command-line analysis
  61  * program, given a TrajectoryAnalysisModule object (or a factory of such).
  62  * It takes care of common command-line parameters, initializing and evaluating
  63  * selections, and looping over trajectory frames.
  64  *
  65  * \inpublicapi
  66  * \ingroup module_trajectoryanalysis
  67  */
  68 class TrajectoryAnalysisCommandLineRunner
  69 {
  70     public:
  71         /*! \brief
  72          * Factory method type for creating a trajectory analysis module.
  73          *
  74          * This method allows the module creation to be postponed to the point
  75          * where the module is needed, reducing initialization costs in, e.g.,
  76          * the `gmx` binary, and simplifying exception handling.
  77          */
  78         typedef std::function<TrajectoryAnalysisModulePointer()>
  79             ModuleFactoryMethod;
  80
  81         /*! \brief
  82          * Implements a main() method that runs a given module.
  83          *
  84          * \tparam ModuleType  Trajectory analysis module.
  85          * \param  argc        \c argc passed to main().
  86          * \param  argv        \c argv passed to main().
  87          *
  88          * This method abstracts away all the logic required to implement a
  89          * main() method in user tools, allowing that to be changed without
  90          * requiring changes to the tools themselves.
  91          *
  92          * \p ModuleType should be default-constructible and derive from
  93          * TrajectoryAnalysisModule.
  94          *
  95          * Does not throw.  All exceptions are caught and handled internally.
  96          */
  97         template <class ModuleType>
  98         static int runAsMain(int argc, char *argv[])
  99         {
 100             return runAsMain(argc, argv, &createModule<ModuleType>);
 101         }
 102         /*! \brief
 103          * Implements a main() method that runs a given module.
 104          *
 105          * \param  argc        \c argc passed to main().
 106          * \param  argv        \c argv passed to main().
 107          * \param  factory     Function that creates the module on demand.
 108          *
 109          * Implements the template runAsMain(), but can also be used
 110          * independently.
 111          *
 112          * Does not throw.  All exceptions are caught and handled internally.
 113          */
 114         static int runAsMain(int argc, char *argv[],
 115                              const ModuleFactoryMethod &factory);
 116         /*! \brief
 117          * Registers a command-line module that runs a given module.
 118          *
 119          * \param  manager     Manager to register the module to.
 120          * \param  name        Name of the module to register.
 121          * \param  description One-line description for the module to register.
 122          * \param  factory     Function that creates the module on demand.
 123          *
 124          * \p name and \p descriptions must be string constants or otherwise
 125          * stay valid for the duration of the program execution.
 126          */
 127         static void registerModule(CommandLineModuleManager *manager,
 128                                    const char *name, const char *description,
 129                                    const ModuleFactoryMethod &factory);
 130         /*! \brief
 131          * Create a command-line module that runs the provided analysis module.
 132          *
 133          * \param[in]  module     Module to run.
 134          * \returns    Command-line module that runs the provided analysis
 135          *      module.
 136          * \throws std::bad_alloc if out of memory.
 137          *
 138          * This is mainly provided for testing purposes that want to bypass
 139          * CommandLineModuleManager.
 140          */
 141         static std::unique_ptr<ICommandLineOptionsModule>
 142         createModule(TrajectoryAnalysisModulePointer module);
 143
 144     private:
 145         // Prevent instantiation.
 146         TrajectoryAnalysisCommandLineRunner() {}
 147
 148         /*! \brief
 149          * Creates a trajectory analysis module of a given type.
 150          *
 151          * \tparam ModuleType  Module to create.
 152          */
 153         template <class ModuleType>
 154         static TrajectoryAnalysisModulePointer createModule()
 155         {
 156             return TrajectoryAnalysisModulePointer(new ModuleType());
 157         }
 158 };
 159
 160 } // namespace gmx
 161
 162 #endif