Gromacs
2025.0-dev-20241011-013a99c
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#include <gromacs/analysisdata/tests/datatest.h>
Represents a single set of points in AnalysisDataTestInputFrame structure.
If the data is not multipoint, each frame contains exactly one set of points. If there is more than one set of points, each of these sets is passed separately and AnalysisDataHandle::finishPointSet() called in between.
Public Member Functions | |
int | index () const |
Returns zero-based index of this point set in its frame. | |
int | dataSetIndex () const |
Returns zero-based index of the data set of this point set. | |
int | firstColumn () const |
Returns zero-based index of the first column in this point set. | |
int | lastColumn () const |
Returns zero-based index of the last column in this point set. | |
int | size () const |
Returns the number of columns in the point set. | |
real | y (int i) const |
Returns the value in column i . | |
bool | hasError (int i) const |
Returns whether the error is present for column i . | |
real | error (int i) const |
Returns the error in column i . | |
AnalysisDataValue | value (int i) const |
Returns an AnalysisDataValue for column i . | |
void | addValue (real y) |
Appends a value to this point set. | |
void | addValueWithError (real y, real error) |
Appends a value with an error estimate to this point set. | |
Static Public Member Functions | |
static bool | present (int) |
Returns whether the value in column i is present. | |
Friends | |
class | AnalysisDataTestInputFrame |
For constructing new point sets. | |