Gromacs
2024.4
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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... | |
gmx::anonymous_namespace{analysismodule.cpp}::TrajectoryAnalysisModuleDataBasic::TrajectoryAnalysisModuleDataBasic | ( | TrajectoryAnalysisModule * | module, |
const AnalysisDataParallelOptions & | opt, | ||
const SelectionCollection & | selections | ||
) |
Initializes thread-local storage for data handles and selections.
[in] | module | Analysis module to use for data objects. |
[in] | opt | Data parallelization options. |
[in] | selections | Thread-local selection collection. |
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overridevirtual |
Performs any finishing actions after all frames have been processed.
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.