gmx::anonymous_namespace{analysismodule.cpp}::TrajectoryAnalysisModuleDataBasic Class Reference

Inheritance diagram for gmx::anonymous_namespace{analysismodule.cpp}::TrajectoryAnalysisModuleDataBasic:

Collaboration diagram for gmx::anonymous_namespace{analysismodule.cpp}::TrajectoryAnalysisModuleDataBasic:

Description

Basic thread-local trajectory analysis data storage class.

Most simple tools should only require data handles and selections to be thread-local, so this class implements just that.

Public Member Functions
	TrajectoryAnalysisModuleDataBasic (TrajectoryAnalysisModule *module, const AnalysisDataParallelOptions &opt, const SelectionCollection &selections)
	Initializes thread-local storage for data handles and selections. More...
void	finish () override
	Performs any finishing actions after all frames have been processed. More...
Public Member Functions inherited from gmx::TrajectoryAnalysisModuleData
AnalysisDataHandle	dataHandle (const AnalysisData &data)
	Returns a data handle for a given dataset. More...

Additional Inherited Members
Static Public Member Functions inherited from gmx::TrajectoryAnalysisModuleData
static Selection	parallelSelection (const Selection &selection)
	Returns a selection that corresponds to the given selection. More...
static SelectionList	parallelSelections (const SelectionList &selections)
	Returns a set of selection that corresponds to the given selections. More...
Protected Member Functions inherited from gmx::TrajectoryAnalysisModuleData
	TrajectoryAnalysisModuleData (TrajectoryAnalysisModule *module, const AnalysisDataParallelOptions &opt, const SelectionCollection &selections)
	Initializes thread-local storage for data handles and selections. More...
void	finishDataHandles ()
	Calls finishData() on all data handles. More...

Constructor & Destructor Documentation

gmx::anonymous_namespace{analysismodule.cpp}::TrajectoryAnalysisModuleDataBasic::TrajectoryAnalysisModuleDataBasic	(	TrajectoryAnalysisModule *	module,
		const AnalysisDataParallelOptions &	opt,
		const SelectionCollection &	selections
	)

Initializes thread-local storage for data handles and selections.

Parameters

[in]	module	Analysis module to use for data objects.
[in]	opt	Data parallelization options.
[in]	selections	Thread-local selection collection.

Member Function Documentation

void gmx::anonymous_namespace{analysismodule.cpp}::TrajectoryAnalysisModuleDataBasic::finish ( )

overridevirtual

Performs any finishing actions after all frames have been processed.

Exceptions

unspecified

Implementation may throw exceptions to indicate errors.

This function is called immediately before the destructor, after TrajectoryAnalysisModule::finishFrames(). Derived classes should implement any final operations that need to be done after successful analysis. All implementations should call finishDataHandles().

Implements gmx::TrajectoryAnalysisModuleData.

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

• src/gromacs/trajectoryanalysis/analysismodule.cpp