PoldiFitPeaks2D should calculate a 1D theoretical spectrum

[Michael Wedel]

The original POLDI analysis software calculates a theoretical 1D spectrum in terms of d (which is converted to Q for plotting). Because the 1D spectrum contains information from all detectors, its calculation is very similar to that of the 2D spectrum.

This 1D-spectrum is mainly used in connection with the residual analysis. I would like to add this feature to the 2D-fit for completeness and easier comparison of results.

[Michael Wedel]

Refs #10774. Typedef for Poldi2DFunction shared pointer

Changeset: fd72a2e5cdb5671909f9b246686d85ba1579c233

[Michael Wedel]

Refs #10774. More recent parameter files for POLDI

Changeset: 2366db7c1597123fe37fe1fa9f41ce4ccbb2331f

[Michael Wedel]

Refs #10774. PoldiSpectrumDomainFunction has 1D method

Changeset: 4ab70dc1f02a8886fa7173cce0b963fa906d5884

[Michael Wedel]

Refs #10774. Added 1d calculation to PoldiFitPeaks2D

Changeset: dde24518c53b41235784222e45691566ee37d2fa

[Michael Wedel]

Refs #10774. Added interface for POLDI 1d functions.

Changeset: 68994e0bae2cb78e6e8ad3d6c65070c656d48174

[Michael Wedel]

Refs #10774. PoldiSpectrumLinearBackground uses workspace.

Changeset: c07be4c936f8f96494727267c0fe71ee02ed9442

[Michael Wedel]

Refs #10774. PoldiSpectrumLinearBackground implements IPoldiFunction1D

Changeset: 3e269136ceb020d87c0723a8d62b60d4a1ff8fb9

[Michael Wedel]

Refs #10774. Added PoldiSpectrumConstantBackground

This function inherits from FlatBackground and implements IPoldiFunction1D.

Changeset: 20509324473681be8c05a15e726778ef92d911e5

[Michael Wedel]

Refs #10774. Replaced FlatBackground function in PoldiFitPeaks2D

Changeset: 351d15e2e749fcd64e207e7e45033275dbf743e6

[Michael Wedel]

Refs #10774. Put calculation into Poldi2DFunction.

Changeset: 829ddd26f5ae81c1a06aea051c7ed570ddf09bd8

[Michael Wedel]

Refs #10774. Refactoring method for 1D spectrum.

Changeset: 2781d9bca4beddba42039718239c4da95ae12454

[Michael Wedel]

Refs #10774. Added background and 1D spectrum calculation to systemtest

Changeset: a1d263198dc1565233382d5b8eee4945cf4add27

[Michael Wedel]

Refs #10774. Fixed problem with domain type.

Changeset: d35d6e30242af395c464bb16f76d4e009e1586bd

[Michael Wedel]

Refs #10774. Added properties for lambda range, updated documentation

Changeset: c8fe98b5681a7cd524bd73caafad41148e756b37

[Michael Wedel]

Refs #10774. Setting correct unit on 1D-spectrum.

Changeset: c68802397862377ca4a7f5f0fe6dccc671bb6369

[Michael Wedel]

Refs #10774. Adding small correction to width in 1D-spectrum

Changeset: 34427bb6f3c0b0bd3099b8aacabff969942f450f

[Michael Wedel]

This is being verified as ​pull request #120.

[Michael Wedel]

Refs #10774. Cleaning up system test

Changeset: 9d27b428aa4e42611a83ce40e85f1cf19b431974

[Michael Wedel]

This is being verified as ​pull request #9.

[Michael Wedel]

A system test was changed in this context as well, it's in the following pull request: ​https://github.com/mantidproject/systemtests/pull/9

[Michael Wedel]

Refs #10774. Fixing double/int problem.

Changeset: 88079ac179841c93612ec4fb3536a0be9585381a

[Michael Wedel]

Refs #10774. Small addition to docs.

Changeset: 506d67c551d914b2ce4874d5a17b509c5662b632

[Michael Wedel]

test this please

[Michael Wedel]

Refs #10774. Forgot to delete 2 Load-statements.

This slipped through from a test that in the end I decided not to include.

Changeset: fa25e296d34c723acb77b759499e45450fb1b898

[Michael Wedel]

Sorry, I forgot to add testing information, adding that now.

Testing information Make sure the algorithm now also outputs a 1D-spectrum (diffractogram). The usage example for PoldiFitPeaks2D has been adapted, so along with the 2D-spectrum that is in OutputWorkspace, there is also a diffractogram of Silicon in Calculated1DSpectrum.

System test The system test also checks that the 1D spectrum, it is in the following pull request: ​https://github.com/mantidproject/systemtests/pull/9

[Federico M Pouzols]

Verifying this together with its sibling systemtest/ pr: ​https://github.com/mantidproject/systemtests/pull/9

[Federico M Pouzols]

Merge pull request #9 from mantidproject/feature/10774_calculate_poldi_1d_spectrum

Feature/10774 calculate poldi 1d spectrum

Full changeset: ​bd03c037faacb79ecfd39627c62aebac7bcae918

[Federico M Pouzols]

All looks very good to me and tests pass.

[Federico M Pouzols]

Merge pull request #120 from mantidproject/feature/10774_calculate_poldi_1d_spectrum

Feature/10774 calculate poldi 1d spectrum

Full changeset: ​2166166d6ff5b89061ca5593d08533cb7f38f9d5

[Federico M Pouzols]

There's a bug in some gcc 4.9 versions (4.9.1) that makes gcc fail when compiling a test generated by CxxTest: PoldiSpectrumConstantBackgroundTest::testParameterCount(): "internal compiler error: in possible_polymorphic_call_targets, at ipa-devirt.c:1557". Just noting it here in case this shows up at some point later on. Upgrading to 4.9.2 fixes the issue I think.

[Federico M Pouzols]

Merge pull request #120 from mantidproject/feature/10774_calculate_poldi_1d_spectrum

Feature/10774 calculate poldi 1d spectrum

Full changeset: ​2166166d6ff5b89061ca5593d08533cb7f38f9d5

[Stuart Campbell]

This ticket has been transferred to github issue ​11616