Gromacs
2024.3
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#include <gromacs/analysisdata/arraydata.h>
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 | |
int | frameCount () const override |
Returns the total number of frames in the data. More... | |
int | rowCount () const |
Returns the number of rows in the data array. More... | |
bool | isAllocated () const |
Returns true if values have been allocated. | |
real | xstart () const |
Returns the x value of the first frame. | |
real | xstep () const |
Returns the step between frame x values. | |
real | xvalue (int row) const |
Returns the x value of a row. | |
const AnalysisDataValue & | value (int row, int 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... | |
int | dataSetCount () const |
Returns the number of data sets in the data object. More... | |
int | columnCount (int dataSet) const |
Returns the number of columns in a data set. More... | |
int | columnCount () const |
Returns the number of columns in the data. More... | |
AnalysisDataFrameRef | tryGetDataFrame (int index) const |
Access stored data. More... | |
AnalysisDataFrameRef | getDataFrame (int 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 (int col, int 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 (int ncols) |
Sets the number of columns in the data array. More... | |
void | setRowCount (int 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 (int row, real value) |
Sets a single value reported as x value for frames. More... | |
AnalysisDataValue & | value (int row, int 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 (int dataSetCount) |
Sets the number of data sets. More... | |
void | setColumnCount (int dataSet, int 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. |