Corrupted state DataObject::Peak

[Owen Arnold]

Doing something like this

The following will leave the peak in a corrupted state for several reasons.

peak = pw.createPeak(qlab, distance)

• The distance to the detector is required and HKL is not calculated
• setHKL does not recalculate qLab, qSample, or determine the detector location

[Owen Arnold]

• setQLab should use findDetector. When qLab is set, if we have a goniometer and UB, we should calculate HKL
• setHKL should determine qLab and then set it via setQLab although, see next point
• Note that qLab and qSample or not explicitly stored, they are dynamically calculated from the wavlength, the sample and detector location

[Owen Arnold]

refs #11056. Add regression test.

Prove that this doesn't work yet.

Changeset: a6ab43c4e96f6fa160dd68b9ad42ba1d9fb32c49

[Owen Arnold]

refs #11056. Peak doesn't assume reference frame.

This was a serious problem that caused a crash with my regression test as soon as I started using my new fake instrument, which is defined in a different reference frame. The setQLab, now uses the instrument reference frame to complete the calculations rather than assuming what it is.

Changeset: b0d5c230ad5bd4a6c25b660fd46d4de7997ea115

[Owen Arnold]

refs #11056. Peak looks up detector after setQLab.

Refactor to use the ray tracing tools to look up the detector. Distance is optional, but I'd rather remove it altogether.

Changeset: 7db86202b7dca91e192fe9e95274837ea1f56c2a

[Owen Arnold]

refs #11056. Fix exposing peak to python.

Keep changes to setQLabFrame as expoesed to python instep with what's changed on the c++ side and test it.

Changeset: 941ce1532657ebbd2ec37dc35c01878c5288e5e5

[Owen Arnold]

refs #11056. New method createPeakHKL.

Unit tested to ensure we are creating a self-consistent peak. Expose to python and unit test there too.

Changeset: 1f5c8337cb1986a47f3cd68bc60c5243a9d3fe70

[Owen Arnold]

refs #11056. Setup for new AddPeaksHKL algorithm

Changeset: 0d10ba2d78dc6f88df3bc71a4dcd88c03c64fb8a

[Owen Arnold]

refs #11056. Test and implement.

Changeset: a3b71fed103fdcdcee908649daeb04252dc09123

[Owen Arnold]

refs #11056. Usage + documentation.

Changeset: 4812d3ae946e2fa9190fc0d9b9dc41c19786c5da

[Owen Arnold]

This is being verified as ​pull request #220.

[Owen Arnold]

Tester:

Run through the usage example against the new algorithm AddPeakHKL (the build server should have done this for you anyway), which touches all the things I have fixed and added as part of this work. Apart from that look at the code. I've provided a number of additional regression tests on the c++ side, and extra tests where I have changed the signature of things exposed to python.

Please check that the SystemTests are still passing before merging into master.

[Owen Arnold]

refs #11056. No default OL in test creation.

Also fix segfault on PeaksViewer menu option, when no peaks are present, requesting size of the peak information.

Changeset: 2dbf18db0e00a25139dcda7cfb8647aaa9a6aed4

[Martyn Gigg]

There seem to be quite a few unit test failures

[Owen Arnold]

refs #11056. Tracked down CrystalTest issues

Changeset: 717bb9cf53f937d6bd54c9c7a84518c728250c62

[Owen Arnold]

refs #11056. Tracked down MDAlgorithmsTest issues

Changeset: 6f4d2f1aabd475faa2b4602ddfd4204a81bb6cab

[Owen Arnold]

refs #11056. Fix issue with python exports.

Changeset: 50140bf89c0d79305a62d1af358f7a0f9520fc96

[Owen Arnold]

refs #11056. Fix GCC warnings.

Changeset: d89e750da68b69a75a99d07de7a5841df3ccd70b

[Owen Arnold]

Jenkins retest this please

[Owen Arnold]

refs #11056. Fix IPeak::setQLabFrame defaults issue.

Changeset: b88d144d88310870799e192e038902ccd8a3c6e3

[Owen Arnold]

Jenkins retest this please.

[Owen Arnold]

Jenkins retest this please

[Owen Arnold]

Jenkins retest this please. Internal compiler error for icpc that I can't reproduce on last pull-request build.

[Owen Arnold]

refs #11056. Fix doxygen warning.

Changeset: c7c5e1b483e581704ce280a89b0834bc853e92d9

[Owen Arnold]

refs #11056. CreateSampleWorkspace fixed.

CreateSampleWorkspace does not set up a ReferenceFrame which is consistent with the actual layout of the instrument. I don't know how this probelem got in there in the first-place, or why it hadn't cause problem up to now! Peak calculations require that the reference frame is known so that we can dot product with the beam direction in order to determine dQ.

Fixing this should now make the doc-tests pass.

Changeset: 1ec1f8336b0b8017acc4544bcac44b058ae00686

[Owen Arnold]

Tester. System tests have now been checked against the develop branch.

[Owen Arnold]

refs #11056. Run alg as child.

Changeset: f42f48de1ced2a4dfe573d06f9349cfd4444de26

[Martyn Gigg]

The code changes look good now and the system tests look fine.

[Martyn Gigg]

Merge pull request #220 from mantidproject/feature/11056_create_peak_hkl

Corrupted state DataObject::Peak

Full changeset: ​a851158ba0b2f6e4f94d3074d5ce86833de3c46b

[Nick Draper]

moved to r 3.4 as tickets are closed

[Owen Arnold]

refs #11056. Create test data.

This is extremely hard to do, which is presumably why this algorithm never had any unit tests in the first place.

Changeset: 47734c5a7d23b57f6e63008c934de802d61e3fd3

[Owen Arnold]

refs #11056. Upgrade CreateSampleWorkspace

Add options to move the banks and set the pixel spacing for the fake instrument.

This is an important feature of working with SCD data, where we want to move the bank in such a way that we have coverage for specific reflections. I've unit tested the two new properties I've added as part of this. The default behaviour will be exactly the same as before.

Changeset: 17be8bd83ad84e74233ca20f36df4316e9d170aa

[Owen Arnold]

refs #11056. Get events tests working.

Changeset: 333433e3f59742ec399da5380805e20aee8a84ab

[Owen Arnold]

refs #11056. Simplify test setup

Also changed the getPeakShape public method to be const, as this is the right sort of behaviour as the PeakShape should be immutable and should not cause internal change to Peak.

Changeset: 5542c3b643a00a01f7fde89bbe57af31a70a343a

[Owen Arnold]

refs #11056. Check principle axis

I've added some peak by peak checks using the PeakShape to determine what the principle axis used for integration has been. Since I artifically construct the ellipsoids in the test, I know that they have a principle axis directly along the TOF, and there is only one detector involved. We should therefore expect that the principle axis of the ellipsoid is exactly the same as the scattering qDir. Normalising both before comparison takes out the wavenumber dependency.

I've also started adding in the regression tests needed for the Histogram workspace cases.

Changeset: 27759248154995ab10e014c361fab2f53bf2e2c3

[Owen Arnold]

refs #11056. Working for Workspace2D

My regression tests now pass for both the EventWorkspace case and the Workspace2D case. These are happy path at this point, but they are doing some quite detailed checks and since the test data in both cases are inter-dependent, I know that they are also producing the same output.

There's performance work still yet to do, and I want to probe the behaviour a little deeper, perhaps with some destructive tests thrown in too.

Changeset: 41428ca41d05b2637aa21ab5ebc52f8ffa4eb30c

[Owen Arnold]

refs #11056. Add destructive and perf tests

Add performance tests prior to optimisation. Add destructive test cases to functional tests.

Changeset: 9189457ae45d09fd9e2357bcd71d9d3121415fa1

[Nick Draper]

Somehow these slipped through without a resolution. Set to Fixed.

[Stuart Campbell]

This ticket has been transferred to github issue ​11895