[IDA] FuryFit - add option for FuryFitMultiple

[Samuel Jackson]

New ticket from Spencer:

This adds the option to run Multiple in Sequential Fit replacing the Python algorithm FuryFitMultiple. Interface:

1. Move Plot Guess up a line to be on its own & default True
2. Below the line 'Constrain Intensities' add an option entitled

'Constrain Beta over all Q'. This is only enabled when the Fit Type is '1 Stretched Exp'.

3. Default values changed : Intensity=1-LinearBackground; Beta=1.0; Tau is calculated from data using Tau=-x/log(y) for the 5th data point.

Code:

4. If FitType='1 Stretched Exp', then if Constrain Beta is False, run furyfitSeq as now if True, run furyfitMult
5. Add SetSampleLog for StartX & EndX and Constrain Intensities

Testing Run with the usual irs23176_graphite002_iqt file with constraint off & on. When update is tested, the Py alg FuryFitMultiple can be removed

[Samuel Jackson]

Refs #7859 Update interface to add checkbox option.

Changeset: b719bdf80ffb7837a87fd13b8307f85e53df76e5

[Samuel Jackson]

Refs #7859 Correct spelling mistake.

Changeset: 86092310fb7b3778c2f2885de5546eabd09530c3

[Samuel Jackson]

Refs #7859 Hook FuryFitMulti up to the FuryFit interface.

Changeset: 0e8fcd3b09338f36fd6eaf229e493644ae174a64

[Samuel Jackson]

Refs #7859 Add sample logs to output workspaces.

Changeset: 2a6594b14296a0c913b2ff423f4680ec1338ebc8

[Samuel Jackson]

Refs #7859 Add sample logs for FuryFitMult

Changeset: 7d85b75a68da41e43c434d3019918cf7d6e1afa1

[Samuel Jackson]

To Tester:

In order to generate a workspace to run with FuryFit you may need to run Fury first (see URL below).

To Test this ticket you need to run FuryFit following instructions at: http://www.mantidproject.org/Indirect:Indirect_Data_Analysis#Running_FuryFit

Make sure you select the following options:

• Fit Type: 1 Stretched Exponential
• Check the option "Constrain Beta of All Q".
• Enter some values for intensity, tau and beta.
• Run a sequential fit

This will run the FuryFitMult routine instead of the standard FuryFit. Check that this option is not available for any other fit type.

I will take care of the default values in ticket #8777 as this is a separate issue and should be done for all available fit functions at the same time.

Finally check that the system tests are passing and do a code inspection.

[Samuel Jackson]

Refs #7859 Axis names should be consistent for all FuryFit options.

Changeset: a557fef37f54c6dd18b3dd10fae4893905c579c9

[Gesner Passos]

It does what is described here. You are allowed to only to constrain beta on fit type 1. And it does apply the required function to it. Besides the SampleLogs are updated.

Some comments to add:

• If you select that you want to constrain Q and change the type, when you go back to the 1 Streched Exponential constraining Q will be disabled. - minor issue.
• The SampleLogs added intensities_constrained but the interface allows the user to dis/enable two kind of intensities constrains: 'Constrain Intensities', 'Constrain Beta Over All Q'. Users might think that intensities_constrained refers to the first one, when it refers to the second one. - major issue.

I've agreed with Samuel to pass this ticket (code freezing...), but he will create a new ticket to tackle the major issue. The minor one he might just ignore.

[Gesner Passos]

Merge remote-tracking branch 'origin/feature/7859_fury_fit_multiple'

Full changeset: ​a1036d9824424db2cccd4e5a5fd030306851dece

[Samuel Jackson]

Ticket for major issue is - #8808

[Stuart Campbell]

This ticket has been transferred to github issue ​8704