/usr/include/gromacs/trajectoryanalysis/cmdlinerunner.h is in libgromacs-dev 2018.1-1.
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* This file is part of the GROMACS molecular simulation package.
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* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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/*! \file
* \brief
* Declares gmx::TrajectoryAnalysisCommandLineRunner.
*
* \author Teemu Murtola <teemu.murtola@gmail.com>
* \inpublicapi
* \ingroup module_trajectoryanalysis
*/
#ifndef GMX_TRAJECTORYANALYSIS_CMDLINERUNNER_H
#define GMX_TRAJECTORYANALYSIS_CMDLINERUNNER_H
#include <functional>
#include <memory>
#include "gromacs/trajectoryanalysis/analysismodule.h"
namespace gmx
{
class CommandLineModuleManager;
class ICommandLineOptionsModule;
/*! \brief
* Runner for command-line trajectory analysis tools.
*
* This class provides static methods to implement a command-line analysis
* program, given a TrajectoryAnalysisModule object (or a factory of such).
* It takes care of common command-line parameters, initializing and evaluating
* selections, and looping over trajectory frames.
*
* \inpublicapi
* \ingroup module_trajectoryanalysis
*/
class TrajectoryAnalysisCommandLineRunner
{
public:
/*! \brief
* Factory method type for creating a trajectory analysis module.
*
* This method allows the module creation to be postponed to the point
* where the module is needed, reducing initialization costs in, e.g.,
* the `gmx` binary, and simplifying exception handling.
*/
typedef std::function<TrajectoryAnalysisModulePointer()>
ModuleFactoryMethod;
/*! \brief
* Implements a main() method that runs a given module.
*
* \tparam ModuleType Trajectory analysis module.
* \param argc \c argc passed to main().
* \param argv \c argv passed to main().
*
* This method abstracts away all the logic required to implement a
* main() method in user tools, allowing that to be changed without
* requiring changes to the tools themselves.
*
* \p ModuleType should be default-constructible and derive from
* TrajectoryAnalysisModule.
*
* Does not throw. All exceptions are caught and handled internally.
*/
template <class ModuleType>
static int runAsMain(int argc, char *argv[])
{
return runAsMain(argc, argv, &createModule<ModuleType>);
}
/*! \brief
* Implements a main() method that runs a given module.
*
* \param argc \c argc passed to main().
* \param argv \c argv passed to main().
* \param factory Function that creates the module on demand.
*
* Implements the template runAsMain(), but can also be used
* independently.
*
* Does not throw. All exceptions are caught and handled internally.
*/
static int runAsMain(int argc, char *argv[],
ModuleFactoryMethod factory);
/*! \brief
* Registers a command-line module that runs a given module.
*
* \param manager Manager to register the module to.
* \param name Name of the module to register.
* \param description One-line description for the module to register.
* \param factory Function that creates the module on demand.
*
* \p name and \p descriptions must be string constants or otherwise
* stay valid for the duration of the program execution.
*/
static void registerModule(CommandLineModuleManager *manager,
const char *name, const char *description,
ModuleFactoryMethod factory);
/*! \brief
* Create a command-line module that runs the provided analysis module.
*
* \param[in] module Module to run.
* \returns Command-line module that runs the provided analysis
* module.
* \throws std::bad_alloc if out of memory.
*
* This is mainly provided for testing purposes that want to bypass
* CommandLineModuleManager.
*/
static std::unique_ptr<ICommandLineOptionsModule>
createModule(TrajectoryAnalysisModulePointer module);
private:
// Prevent instantiation.
TrajectoryAnalysisCommandLineRunner() {}
/*! \brief
* Creates a trajectory analysis module of a given type.
*
* \tparam ModuleType Module to create.
*/
template <class ModuleType>
static TrajectoryAnalysisModulePointer createModule()
{
return TrajectoryAnalysisModulePointer(new ModuleType());
}
};
} // namespace gmx
#endif
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