Gromacs
2020.1
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#include <programs/mdrun/tests/trajectorycomparison.h>
Function object to compare the fields of the two frames for equality given the matchSettings_
and tolerances_
.
The two frames are required to have valid and matching values for time and step. According to matchSettings_
, box, position coordinates, velocities and/or forces will be compared between frames, using the tolerances_
. Comparisons will only occur when both frames have the requisite data, and will be expected to be equal within the matching component of tolerances_
. If a comparison fails, a GoogleTest expectation failure will be given. If a comparison is required by matchSettings_
but cannot be done because either (or both) frames lack the requisite data, descriptive expectation failures will be given.
Public Member Functions | |
TrajectoryComparison (const TrajectoryFrameMatchSettings &matchSettings, const TrajectoryTolerances &tolerances) | |
Constructor. | |
void | operator() (const TrajectoryFrame &reference, const TrajectoryFrame &test) const |
Compare reference with test given the matchSettings_ within tolerances_ . | |
Public Attributes | |
TrajectoryFrameMatchSettings | matchSettings_ |
Specifies expected behavior in comparisons. | |
TrajectoryTolerances | tolerances_ |
Trajectory fields to match with given tolerances. | |
Static Public Attributes | |
static const TrajectoryTolerances | s_defaultTrajectoryTolerances |
Defaults for trajectory comparisons. More... | |
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static |
Defaults for trajectory comparisons.