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gmx::test::TrajectoryFrameMatchSettings Struct Reference

#include <programs/mdrun/tests/trajectorycomparison.h>


Helper struct to specify the expected behaviour of compareFrames().

By default, nothing is required to be compared, but the comparer will compare what it can with the frames it is given.

Handling PBC refers to putting all the atoms in the simulation box, which requires that both the PBC type and a simulation box are available from the trajectory frame.

Public Attributes

bool mustCompareBox
 Whether boxes must be compared.
bool mustComparePositions
 Whether positions must be compared.
bool handlePbcIfPossible
 Whether PBC will be handled if it can be handled.
bool requirePbcHandling
 Whether PBC handling must occur for a valid comparison.
bool mustCompareVelocities
 Whether velocities must be compared.
bool mustCompareForces
 Whether forces must be compared.

The documentation for this struct was generated from the following file: