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* This file is part of the GROMACS molecular simulation package.
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* Copyright (c) 2010,2011,2012,2013,2014, by the GROMACS development team, led by
* 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 "gromacs/trajectoryanalysis/analysismodule.h"
#include "gromacs/utility/classhelpers.h"
namespace gmx
{
class CommandLineModuleManager;
class CommandLineHelpContext;
/*! \brief
* Runner class for command-line analysis tools.
*
* This class implements a command-line analysis program, given a
* TrajectoryAnalysisModule object. It takes care of converting command-line
* parameters to a form understood by the module, as well as parsing common
* options, 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 be inside
* the try/catch block in runAsMain()/registerModule() implementation
* methods and still keep the implementation out of the header, making
* the ABI more stable.
*/
typedef 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
* Registers a command-line module that runs a given module.
*
* \tparam ModuleType Trajectory analysis 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.
*
* \p ModuleType should be default-constructible and derive from
* TrajectoryAnalysisModule.
*
* \p name and \p descriptions must be string constants or otherwise
* stay valid for the duration of the program execution.
*/
template <class ModuleType>
static void registerModule(CommandLineModuleManager *manager,
const char *name, const char *description)
{
registerModule(manager, name, description, &createModule<ModuleType>);
}
/*! \brief
* Registers a command-line module that runs a given module.
*
* \tparam ModuleType Trajectory analysis 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.
*
* Implements the template registerModule() method, but can also be
* used independently.
*/
static void registerModule(CommandLineModuleManager *manager,
const char *name, const char *description,
ModuleFactoryMethod factory);
/*! \brief
* Create a new runner with the provided module.
*
* \param module Analysis module to run using the runner.
* \throws std::bad_alloc if out of memory.
*
* The caller should ensure that the provided module is not destroyed
* while the runner exists.
*/
TrajectoryAnalysisCommandLineRunner(TrajectoryAnalysisModule *module);
~TrajectoryAnalysisCommandLineRunner();
/*! \brief
* Sets whether default index groups are initialized.
*
* This is intended only for internal unit testing purposes to avoid
* repeated, unnecessary initialization of the default groups, which
* can be expensive under, e.g., valgrind.
*
* Does not throw.
*/
void setUseDefaultGroups(bool bUseDefaults);
/*! \brief
* Sets the default debugging level for selections.
*
* \param[in] debuglevel Level of debugging verbosity.
*
* This is intended only for use by internal debugging tools.
*
* Does not throw.
*
* \see SelectionCollection::setDebugLevel()
*/
void setSelectionDebugLevel(int debuglevel);
/*! \brief
* Parses options from the given command line and runs the analysis.
*
* \throws multiple Exceptions are used to indicate errors.
* \returns Zero on success.
*/
int run(int argc, char *argv[]);
/*! \brief
* Prints help for the module, including common options from the runner.
*
* \param[in] context Context object for writing the help.
* \throws std::bad_alloc if out of memory.
* \throws FileIOError on any I/O error.
*/
void writeHelp(const CommandLineHelpContext &context);
private:
/*! \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());
}
//! Implements the template runAsMain() method.
static int runAsMain(int argc, char *argv[],
ModuleFactoryMethod factory);
class Impl;
PrivateImplPointer<Impl> impl_;
};
} // namespace gmx
#endif
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