EllipsoidPeakRepresentation

[Owen Arnold]

New algorithm for Crystal called EllipsoidPeakRepresentation which outputs a table workspace (much like PeaksInRegion and PeaksOnSurface) linking a peak index, with some additional information to describe the peak as an ellipsoid in a particular coordinate system.

This algorithm can then be used under-the-hood by the slice viewer to transform the representation of integrated peaks, such that it aligns correctly with the MDWorkspace being shown.

Rough procedure would be as follows.

• Input a PeaksWorkspace and fetch the coordinate system used for the integration ( via getSpecialCoordinates )
• Input an MDWorkspace and fetch it's special coordinate system ( via getSpecialCoordinates ). Call this the target coordinate system.
• Fetch the integration radius (same for all peaks) and origin (different from all peaks) from the peaks workspace.
• According the the special coordinate system of the peaks workspace and the target coordinate system calculate the transformation matrix required to move the peaks workspace into the target coordinate system.
• Now for each peak, use the radius, and the position to calculate information that could be used to describe a 3D ellipsoid. {Not sure how best to do this yet}. Write this information out into the output workspace.

[Nick Draper]

Moved to backlog at the code freeze for R2.6

[Owen Arnold]

Duration = 2 days

[Nick Draper]

Moved out to backlog as not enough time in R3.0

[Nick Draper]

Bulk move to assigned at the introduction of the triage step

[Stuart Campbell]

This ticket has been transferred to github issue ​8256