Refactor FitPeak for FindPeaks

[Wenduo Zhou]

FindPeaks may call FitPeak N times if N peaks are to find. Calling through Algorithm might have a significant cost of computation time, as it is found that with new FindPeaks algorithm calling FitPeak (ticket #7789), system test CalibrateRectangularDetectorsTest is slowed down by 3 times.

Thus, one approach is to refactor FitPeak such that FindPeak can fit peak through a class object but not calling a Mantid Algorithm.

[Wenduo Zhou]

Checkpointing work. Refs #8646.

Changeset: 3986e29f7ae6186a3b3157c119a856427b86b704

[Wenduo Zhou]

Checkpointing work. Refs #8646.

Changeset: 75140c3a4bcddf7c0abf6edbdd427028180c0672

[Wenduo Zhou]

Checkpointing work. Refs #8646.

Changeset: 350d829ff7427751fb4ac4c0f11a998a9f8e7599

[Wenduo Zhou]

Corrected build errors from refactoring. Refs #8646.

Changeset: c61600077bc2e7dd77edf15c2e99868add37e184

[Wenduo Zhou]

Finished the implementation on new fit peak class. Refs #8646.

Changeset: ac67720cb5ab8204c1b44ad2e4ebddf7237e5160

[Wenduo Zhou]

Cleaned the code and unit tests. Refs #8646.

Changeset: 8ff4af3a59d53fdaa3baa2ae746a550b1969dcb2

[Wenduo Zhou]

Resolved conflict. Refs #8646.

Changeset: 854120e8debfc4330ae2571857677a184dfaf335

[Wenduo Zhou]

How to verify

1. Locate data file PG3_4866.gsa and PG3_2538_event.nxs in Mantid's system test's data;

2. Load PG3_4866.gsa by LoadGSS. Pick up any peak to fit by FitPeak. For example you can find a peak centered close to 11190.. Give the algorithm a rough estimation on peak height (100.0) and peak width (20.0). Set the peak range between 11180=0.0 and 11300. Set the fit window between 11000 and 11400. And set 'FitBackgroundFirst' to true because the background is high relative to the peak.

You can also refer to test8646a.py attached.

3. Load PG3_2538_event.nxs. Process the data referring to attached script test8646b.py. Select any spectrum and any peak to fit. For example, you can select peak near d=1.26 in spectrum 22000. Make a rough estimation on peak's parameters. As the background is low and flat you can use 'LinearBackground' and set 'FitBackgroundFirst' to false.

[Wenduo Zhou]

Added more in wiki. Refs #8646.

Changeset: 158d08c494adb8ae318dadbbbf9629e28377ac71

[Wenduo Zhou]

Fixed issues with fit error passing. Refs #8646.

Changeset: 20c0caddc7b9ac09ea36f5d60d6c69f962ed839a

[Samuel Jackson]

I'm getting a merge conflict in FitPeak when trying to test. Fix and I'll retest.

Auto-merging Code/Mantid/Framework/Algorithms/src/FitPeak.cpp
CONFLICT (content): Merge conflict in Code/Mantid/Framework/Algorithms/src/FitPeak.cpp
Auto-merging Code/Mantid/Framework/Algorithms/src/FindPeaks.cpp
Automatic merge failed; fix conflicts and then commit the result.

[Nick Draper]

The title of this ticket is very similar to #7789 is it a duplicate?

[Wenduo Zhou]

Replying to Nick Draper:

The title of this ticket is very similar to #7789 is it a duplicate?

These two tickets are different though somehow related. In ticket #7789, the section of codes in FindPeaks to fit a single peak will be replaced by calling algorithm FitPeak.

Some tests show that calling FitPeak as a sub algorithm is very costly. And it slowed down some algorithm, such as GetDetOffsetsMultiPeaks that calls FindPeaks thousands of times, significantly. So I created this ticket to implement a class to fit peak. And this class is used by FitPeak and will be used by FindPeaks in order to avoid the overhead to start sub algorithms.

[Vickie Lynch]

Refs #8646 fix merge conflict

Changeset: 5a18232cf2bedf44008edd94054587a72f17b16d

[Vickie Lynch]

My gsa data did not have errors in file which caused chisq to be wrong, but this was not caused by these changes.

[Stuart Campbell]

This ticket has been transferred to github issue ​9490