Add a DomainCreator that creates a SeqDomain corresponding to a Workspace2D

[Michael Wedel]

In POLDI fits (with the MultiDomainFunction approach described in #9445) the Jacobians get very large (several million elements), so the fit becomes very slow. To avoid this behavior, a SeqDomain with one FunctionDomain1DSpectrum per spectrum of the original workspace will be used instead. That way it is possible to utilize LevenbergMarquardMDMinimizer, which splits up the matrices into smaller chunks.

For this to work, a DomainCreator is required that produces the correct domain. This domain could be used in any case where several spectra of one workspace need to be fitted simultaneously.

[Michael Wedel]

Refs #9531. Added ComainCreator for FunctionDomain1DSpectrum.

Changeset: ea35aeaa7335ff6586df3bab1c5537e30807408b

[Michael Wedel]

Refs #9531. Added SeqDomainSpectrumCreator with test.

Changeset: 9a354d79bac4cfe6c787015c7ab92ef4f1bde9c9

[Michael Wedel]

Refs #9531. Setting fit values in FunctionDomain1DSpectrumCreator.

Changeset: 63331392800123a3ab482cc6f6bc5730512085af

[Michael Wedel]

Refs #9531. Added fitting tests.

Changeset: c782c3d52c98c3e80db729147c204de4ad6b03f0

[Michael Wedel]

Refs #9531. Adjusted Fit to make tests work.

Changeset: c90913032daf8754b7e0214dd8a24aded9ad2bac

[Michael Wedel]

Refs #9531. Added test function for SeqDomainSpectrumCreator.

Changeset: 52bf34e0792517491ee828348ca0885ffe7617b7

[Michael Wedel]

Refs #9531. Added demonstration algorithm.

The algorithms fits the test function to the provided workspace data. Useful for profiling "real world data" with appropriate dimensions (data and parameters).

Changeset: 46747ba1729333ba21b155c73cffecd5e15fab1b

[Michael Wedel]

Workspace that contains appropriate data for SeqDomainDemonstration

[Michael Wedel]

The attached data can be fitted with this minimal script, given "Artificial.nxs" (see attachment) is in a location where Mantid can find it:

ws = Load("Artificial.nxs")
SeqDomainDemonstration(ws)

I recommend setting Log Level to something like "Notice", since "Debug" prints out a lot of information.

[Michael Wedel]

Refs #9531. Mapping fit weights in CostFuncFitting.

Instead of calling the virtual function getWeights each time fit weights are accessed in LeastSquaresCostFunc, they are mapped once before the calculations.

Changeset: eb67fc50f6268afc73f8f1c716d6825f75b8e9f9

[Michael Wedel]

Refs #9531. Further reduced number of virtual function calls.

Followed Roman's suggestion to make getFitWeights() virtual and remove getWeight as well as calSqrtW from CostFuncLeastSquares.

Changeset: 0d069366649fea2d7e6782da0ce11f3757dd70a3

[Michael Wedel]

Refs #9531. Added documentation to domain creators.

Changeset: 9417ba838adfb3daf772c7b3395a8233ac65d19b

[Michael Wedel]

Refs #9531. Added check for SeqDomainSpectrumCreator in Fit.

Changeset: a48f056310e4e1daf786f34b4f2072d47ad76a27

[Michael Wedel]

Refs #9531. Cleaned up SeqDomanSpectrumCreatorTest.

Changeset: b065d2015350b6bfd6b9d7327d482038535bc490

[Michael Wedel]

Refs #9531. Removed test function and demonstration algorithm.

This is already in the unit tests now and SeqDomainTestFunction and SeqDomainDemonstration don't do anything useful.

Changeset: f82833287a1139e12fa4e37214bba54893dad6ea

[Michael Wedel]

Refs #9531. Fixed doxygen warning.

Changeset: 703807bdeeb9b69d6ad42168e4e74a363d2b2f95

[Michael Wedel]

Refs #9531. Created IFunction1DSpectrum interface.

IFunction1DSpectrum is an interface roughly equivalent to IFunction1D, with the exception that it must use FunctionDomain1DSpectrum.

Changeset: 200427bf34dfdbb9f66a6b31966272da8bfc9ded

[Michael Wedel]

Refs #9531. Integrated IFunction1DSpectrum into Fit and tests

Instead of having an extra property, fit now checks if the fit function can be cast to IFunction1DSpectrum to assign the correct domain creator.

Changeset: 2e15ad4e5c58c6678e8e58ad610f09cb080d745f

[Michael Wedel]

Testing of the new DomainCreators is mostly handled by the unit tests. SeqDomainSpectrumCreator has two tests that fit functions to artificial data (one with 1 parameter and one with 40 parameters).

The changes to CostFuncLeastSquares exclusively improve performance. Without the modifications the fit takes much more time once there are many data points/parameters involved.

[Roman Tolchenov]

Re #9531. A couple of corrections to make Fit work

Changeset: 04b4d504ad8b48f0107daa534197186996caeee4

[Michael Wedel]

Refs #9531. Modified unit test of SeqDomainSpectrumCreator

The unit test now instantiates Fit via the AlgorithmManager.

Changeset: 09046f2ad4ab6d37c9f182dcb5bb91fac58c0302

[Roman Tolchenov]

Merge remote-tracking branch 'origin/feature/9531_SpectrumSeqDomainCreator'

Full changeset: ​5fc85d94192b306b9c38fe4025ecebfa4d5a5757

[Stuart Campbell]

This ticket has been transferred to github issue ​10374