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Gromacs
2019
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Gromacs
2019
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#include <gromacs/analysisdata/tests/datatest.h>
Represents a single frame in AnalysisDataTestInput structure.
Public Member Functions | |
| int | index () const |
| Returns zero-based index for the frame. | |
| real | x () const |
| Returns x coordinate for the frame. | |
| real | dx () const |
| Returns error in the x coordinate for the frame. | |
| int | pointSetCount () const |
| Number of individual point sets in the frame. | |
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const AnalysisDataTestInputPointSet & | pointSet (int index) const |
| Returns a point set object for a given point set. | |
| AnalysisDataTestInputPointSet & | addPointSet (int dataSet, int firstColumn) |
| Appends an empty point set to this frame. | |
| void | addPointSetWithValues (int dataSet, int firstColumn, real y1) |
| Adds a point set with given values to this frame. | |
| void | addPointSetWithValues (int dataSet, int firstColumn, real y1, real y2) |
| Adds a point set with given values to this frame. | |
| void | addPointSetWithValues (int dataSet, int firstColumn, real y1, real y2, real y3) |
| Adds a point set with given values to this frame. | |
| void | addPointSetWithValueAndError (int dataSet, int firstColumn, real y1, real e1) |
| Adds a point set with given values to this frame. | |
Friends | |
| class | AnalysisDataTestInput |
| For constructing new frames. | |
1.8.5