Gromacs
2024.4
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Declares types and functions for comparing trajectories produced by mdrun.
Classes | |
struct | gmx::test::TrajectoryTolerances |
Helper struct for testing different trajectory components with different tolerances. More... | |
struct | gmx::test::TrajectoryFrameMatchSettings |
Helper struct to specify the expected behaviour of compareFrames(). More... | |
class | gmx::test::TrajectoryComparison |
Function object to compare the fields of two frames vs each others or one frame vs reference data for equality given the matchSettings_ and tolerances_ . More... | |
Enumerations | |
enum | gmx::test::ComparisonConditions : int { CompareIfBothFound, NoComparison, MustCompare, CompareIfReferenceFound, CompareIfTestFound, Count } |
Enumeration controlling how data within trajectory frames are compared. | |
Functions | |
void | gmx::test::checkTrajectoryAgainstReferenceData (const std::string &trajectoryFilename, const TrajectoryComparison &trajectoryComparison, TestReferenceChecker *checker) |
Helper function comparing a trajectory to reference. More... | |
void | gmx::test::checkTrajectoryAgainstReferenceData (const std::string &trajectoryFilename, const TrajectoryComparison &trajectoryComparison, TestReferenceChecker *checker, MaxNumFrames maxNumFrames) |