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Gromacs
2024.3
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Gromacs
2024.3
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#include <gromacs/analysisdata/datamodule.h>
Inheritance diagram for gmx::AnalysisDataModuleSerial: Collaboration diagram for gmx::AnalysisDataModuleSerial:Convenience base class for serial analysis data modules.
Implements the parallelDataStarted() method such that initialization is always forwarded to dataStarted(), and the module always behaves as serial (parallelDataStarted() returns false).
Public Member Functions | |
| int | flags () const override=0 |
| Returns properties supported by the module. More... | |
| void | dataStarted (AbstractAnalysisData *data) override=0 |
| Called (once) when the data has been set up properly. More... | |
| void | frameStarted (const AnalysisDataFrameHeader &frame) override=0 |
| Called at the start of each data frame. More... | |
| void | pointsAdded (const AnalysisDataPointSetRef &points) override=0 |
| Called one or more times during each data frame. More... | |
| void | frameFinished (const AnalysisDataFrameHeader &header) override=0 |
| Called when a data frame is finished. More... | |
| void | dataFinished () override=0 |
| Called (once) when no more data is available. More... | |
Additional Inherited Members | |
| Public Types inherited from gmx::IAnalysisDataModule | |
| enum | Flag { efAllowMultipoint = 1 << 0, efOnlyMultipoint = 1 << 1, efAllowMulticolumn = 1 << 2, efAllowMissing = 1 << 3, efAllowMultipleDataSets = 1 << 4 } |
| Possible flags for flags(). More... | |
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overridepure virtual |
Called (once) when no more data is available.
| unspecified | Can throw any exception required by the implementing class to report errors. |
Implements gmx::IAnalysisDataModule.
Implemented in gmx::AnalysisDataBinAverageModule, gmx::internal::BasicAverageHistogramModule, gmx::AbstractPlotModule, gmx::AnalysisDataFrameAverageModule, gmx::AnalysisDataAverageModule, gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule, gmx::AnalysisDataLifetimeModule, and gmx::AnalysisDataDisplacementModule.
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overridepure virtual |
Called (once) when the data has been set up properly.
| [in] | data | Data object to which the module is added. |
| APIError | if the provided data is not compatible. |
| unspecified | Can throw any exception required by the implementing class to report errors. |
When the data is ready, either this method or parallelDataStarted() is called, depending on the nature of the input data. If this method is called, the input data will always present the frames in sequential order.
The data to which the module is attached is passed as an argument to provide access to properties of the data for initialization and/or validation. The module can also call AbstractAnalysisData::requestStorage() if needed.
This is the only place where the module gets access to the data; if properties of the data are required later, the module should store them internally. It is guaranteed that the data properties (column count, whether it's multipoint) do not change once this method has been called.
Notice that data will be a proxy object if the module is added as a column module, not the data object for which AbstractAnalysisData::addColumnModule() was called.
Implements gmx::IAnalysisDataModule.
Implemented in gmx::AnalysisDataBinAverageModule, gmx::internal::BasicAverageHistogramModule, gmx::AbstractPlotModule, gmx::AnalysisDataFrameAverageModule, gmx::AnalysisDataAverageModule, gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule, gmx::AnalysisDataLifetimeModule, and gmx::AnalysisDataDisplacementModule.
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overridepure virtual |
Returns properties supported by the module.
The return value of this method should not change after the module has been added to a data (this responsibility can, and in most cases must, be delegated to the user of the module).
The purpose of this method is to remove the need for common checks for data compatibility in the classes that implement the interface. Instead, AbstractAnalysisData performs these checks based on the flags provided.
Does not throw.
Implements gmx::IAnalysisDataModule.
Implemented in gmx::AnalysisDataBinAverageModule, gmx::internal::BasicAverageHistogramModule, gmx::AbstractPlotModule, gmx::AnalysisDataFrameAverageModule, gmx::AnalysisDataAverageModule, gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule, gmx::AnalysisDataLifetimeModule, and gmx::AnalysisDataDisplacementModule.
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overridepure virtual |
Called when a data frame is finished.
| [in] | header | Header information for the frame that is ending. |
| unspecified | Can throw any exception required by the implementing class to report errors. |
Implements gmx::IAnalysisDataModule.
Implemented in gmx::AnalysisDataBinAverageModule, gmx::internal::BasicAverageHistogramModule, gmx::AbstractPlotModule, gmx::AnalysisDataFrameAverageModule, gmx::AnalysisDataAverageModule, gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule, gmx::AnalysisDataLifetimeModule, and gmx::AnalysisDataDisplacementModule.
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overridepure virtual |
Called at the start of each data frame.
| [in] | frame | Header information for the frame that is starting. |
| unspecified | Can throw any exception required by the implementing class to report errors. |
Implements gmx::IAnalysisDataModule.
Implemented in gmx::AnalysisDataBinAverageModule, gmx::internal::BasicAverageHistogramModule, gmx::AbstractPlotModule, gmx::AnalysisDataFrameAverageModule, gmx::AnalysisDataAverageModule, gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule, gmx::AnalysisDataLifetimeModule, and gmx::AnalysisDataDisplacementModule.
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overridepure virtual |
Called one or more times during each data frame.
| [in] | points | Set of points added (also provides access to frame-level data). |
| APIError | if the provided data is not compatible. |
| unspecified | Can throw any exception required by the implementing class to report errors. |
Can be called once or multiple times for a frame. For all data objects currently implemented in the library (and all objects that will use AnalysisDataStorage for internal implementation), it is called exactly once for each frame if the data is not multipoint, but currently this restriction is not enforced.
Implements gmx::IAnalysisDataModule.
Implemented in gmx::AnalysisDataBinAverageModule, gmx::internal::BasicAverageHistogramModule, gmx::AnalysisDataVectorPlotModule, gmx::AnalysisDataPlotModule, gmx::AbstractPlotModule, gmx::AnalysisDataFrameAverageModule, gmx::AnalysisDataAverageModule, gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule, gmx::AnalysisDataLifetimeModule, and gmx::AnalysisDataDisplacementModule.
1.8.5