struct TrajectoryFrameMatchSettings
{
//! Whether boxes must be compared.
- bool mustCompareBox = false;
+ bool mustCompareBox = false;
//! Whether PBC will be handled if it can be handled.
- bool handlePbcIfPossible = true;
+ bool handlePbcIfPossible = true;
//! Whether PBC handling must occur for a valid comparison.
- bool requirePbcHandling = false;
+ bool requirePbcHandling = false;
//! Whether position coordinates must be compared.
ComparisonConditions coordinatesComparison = ComparisonConditions::CompareIfBothFound;
//! Whether velocities must be compared.
* failures will be given. */
class TrajectoryComparison
{
- public:
- //! Defaults for trajectory comparisons
- static const TrajectoryTolerances s_defaultTrajectoryTolerances;
- //! Constructor
- TrajectoryComparison(const TrajectoryFrameMatchSettings &matchSettings,
- const TrajectoryTolerances &tolerances);
- /*! \brief Compare reference with test given the \c
- * matchSettings_ within \c tolerances_ */
- void operator()(const TrajectoryFrame &reference, const TrajectoryFrame &test) const;
- //! Specifies expected behavior in comparisons
- TrajectoryFrameMatchSettings matchSettings_;
- //! Trajectory fields to match with given tolerances.
- TrajectoryTolerances tolerances_;
+public:
+ //! Defaults for trajectory comparisons
+ static const TrajectoryTolerances s_defaultTrajectoryTolerances;
+ //! Constructor
+ TrajectoryComparison(const TrajectoryFrameMatchSettings& matchSettings,
+ const TrajectoryTolerances& tolerances);
+ /*! \brief Compare reference with test given the \c
+ * matchSettings_ within \c tolerances_ */
+ void operator()(const TrajectoryFrame& reference, const TrajectoryFrame& test) const;
+ //! Specifies expected behavior in comparisons
+ TrajectoryFrameMatchSettings matchSettings_;
+ //! Trajectory fields to match with given tolerances.
+ TrajectoryTolerances tolerances_;
};
-} // namespace test
-} // namespace gmx
+} // namespace test
+} // namespace gmx
#endif