Gromacs  2021.3
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Classes | Enumerations
trajectorycomparison.h File Reference
#include "testutils/testasserts.h"
#include "comparison_helpers.h"
+ Include dependency graph for trajectorycomparison.h:
+ This graph shows which files directly or indirectly include this file:

Description

Declares types and functions for comparing trajectories produced by mdrun.

Author
Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m
Pascal Merz pasca.nosp@m.l.me.nosp@m.rz@me.nosp@m..com

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)