gmx::TrajectoryAnalysisCommandLineRunner Class Reference

#include <gromacs/trajectoryanalysis/cmdlinerunner.h>

Description

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.

Public Types
typedef std::function < TrajectoryAnalysisModulePointer()>	ModuleFactoryMethod
	Factory method type for creating a trajectory analysis module. More...

Static Public Member Functions
template<class ModuleType >
static int	runAsMain (int argc, char *argv[])
	Implements a main() method that runs a given module. More...
static int	runAsMain (int argc, char *argv[], const ModuleFactoryMethod &factory)
	Implements a main() method that runs a given module. More...
static void	registerModule (CommandLineModuleManager *manager, const char *name, const char *description, const ModuleFactoryMethod &factory)
	Registers a command-line module that runs a given module. More...
static std::unique_ptr < ICommandLineOptionsModule >	createModule (TrajectoryAnalysisModulePointer module)
	Create a command-line module that runs the provided analysis module. More...

Member Typedef Documentation

typedef std::function<TrajectoryAnalysisModulePointer()> gmx::TrajectoryAnalysisCommandLineRunner::ModuleFactoryMethod

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.

Member Function Documentation

std::unique_ptr< ICommandLineOptionsModule > gmx::TrajectoryAnalysisCommandLineRunner::createModule ( TrajectoryAnalysisModulePointer  module )

static

Create a command-line module that runs the provided analysis module.

Parameters

[in]

module

Module to run.

Returns

Command-line module that runs the provided analysis module.

Exceptions

std::bad_alloc

if out of memory.

This is mainly provided for testing purposes that want to bypass CommandLineModuleManager.

void gmx::TrajectoryAnalysisCommandLineRunner::registerModule ( CommandLineModuleManager *  manager, const char *  name, const char *  description, const ModuleFactoryMethod &  factory  )

static

Registers a command-line module that runs a given module.

Parameters

manager	Manager to register the module to.
name	Name of the module to register.
description	One-line description for the module to register.
factory	Function that creates the module on demand.

name and descriptions must be string constants or otherwise stay valid for the duration of the program execution.

template<class ModuleType >

static int gmx::TrajectoryAnalysisCommandLineRunner::runAsMain ( int  argc, char *  argv[]  )

inlinestatic

Implements a main() method that runs a given module.

Template Parameters

ModuleType

Trajectory analysis module.

Parameters

argc	argc passed to main().
argv	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.

ModuleType should be default-constructible and derive from TrajectoryAnalysisModule.

Does not throw. All exceptions are caught and handled internally.

int gmx::TrajectoryAnalysisCommandLineRunner::runAsMain ( int  argc, char *  argv[], const ModuleFactoryMethod &  factory  )

static

Implements a main() method that runs a given module.

Parameters

argc	argc passed to main().
argv	argv passed to main().
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.

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The documentation for this class was generated from the following files:

• api/legacy/include/gromacs/trajectoryanalysis/cmdlinerunner.h
• src/gromacs/trajectoryanalysis/cmdlinerunner.cpp