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Gromacs
2026.0-dev-20251119-5f0a571d
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#include <gromacs/analysisdata/arraydata.h>
Inheritance diagram for gmx::AnalysisArrayData:
Collaboration diagram for gmx::AnalysisArrayData:Simple in-memory data array.
This class is a simple alternative to AnalysisData for in-memory data arrays that are constructed in-place.
Public accessor methods in this class do not throw, but assert if data is accessed before it is available.
This class exposes the protected functions of AbstractAnalysisArrayData for users.
Public Member Functions | |
| AnalysisArrayData () | |
| Initializes an empty array data object. More... | |
Public Member Functions inherited from gmx::AbstractAnalysisArrayData | |
| size_t | frameCount () const override |
| Returns the total number of frames in the data. More... | |
| size_t | rowCount () const |
| Returns the number of rows in the data array. More... | |
| bool | isAllocated () const |
| Returns true if values have been allocated. | |
| real | xstep () const |
| Returns the step between frame x values when the x axis is uniform. | |
| real | xvalue (size_t row) const |
| Returns the x value of a row. | |
| const AnalysisDataValue & | value (size_t row, size_t col) const |
| Returns a given array element. | |
Public Member Functions inherited from gmx::AbstractAnalysisData | |
| bool | isMultipoint () const |
| Whether the data can have multiple points in the same column in the same frame. More... | |
| size_t | dataSetCount () const |
| Returns the number of data sets in the data object. More... | |
| size_t | columnCount (size_t dataSet) const |
| Returns the number of columns in a data set. More... | |
| size_t | columnCount () const |
| Returns the number of columns in the data. More... | |
| AnalysisDataFrameRef | tryGetDataFrame (size_t index) const |
| Access stored data. More... | |
| AnalysisDataFrameRef | getDataFrame (size_t index) const |
| Access stored data. More... | |
| bool | requestStorage (int nframes) |
| Request storage of frames. More... | |
| void | addModule (const AnalysisDataModulePointer &module) |
| Adds a module to process the data. More... | |
| void | addColumnModule (size_t col, size_t span, const AnalysisDataModulePointer &module) |
| Adds a module that processes only a subset of the columns. More... | |
| void | applyModule (IAnalysisDataModule *module) |
| Applies a module to process data that is ready. More... | |
Additional Inherited Members | |
Protected Member Functions inherited from gmx::AbstractAnalysisArrayData | |
| AbstractAnalysisArrayData () | |
| Initializes an empty array data object. More... | |
| void | setColumnCount (size_t ncols) |
| Sets the number of columns in the data array. More... | |
| void | setRowCount (size_t rowCount) |
| Sets the number of rows in the data array. More... | |
| void | allocateValues () |
| Allocates memory for the values. More... | |
| void | setXAxis (real start, real step) |
| Sets the values reported as x values for frames. More... | |
| void | setXAxisValue (size_t row, real value) |
| Sets a single value reported as x value for frames. More... | |
| AnalysisDataValue & | value (size_t row, size_t col) |
| Returns a reference to a given array element. | |
| void | valuesReady () |
| Notifies modules of the data. More... | |
Protected Member Functions inherited from gmx::AbstractAnalysisData | |
| AbstractAnalysisData () | |
| Initializes a new analysis data object. More... | |
| void | setDataSetCount (size_t dataSetCount) |
| Sets the number of data sets. More... | |
| void | setColumnCount (size_t dataSet, size_t columnCount) |
| Sets the number of columns for a data set. More... | |
| void | setMultipoint (bool bMultipoint) |
| Sets whether the data has multiple points per column in a frame. More... | |
| AnalysisDataModuleManager & | moduleManager () |
| Returns the module manager to use for calling notification methods. | |
| const AnalysisDataModuleManager & | moduleManager () const |
| Returns the module manager to use for calling notification methods. | |
Static Protected Member Functions inherited from gmx::AbstractAnalysisArrayData | |
| static void | copyContents (const AbstractAnalysisArrayData *src, AbstractAnalysisArrayData *dest) |
| Copies the contents into a new object. More... | |
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inline |
Initializes an empty array data object.
| std::bad_alloc | if out of memory. |
1.8.5