Create ConvertToMD

[Nick Draper]

I am closing this ticket to let people test it

Unit tests show that if you provide an energy transfer data to Matrix WS part of the algorithm and properly converted from this data event data to Event part of the algorithm, the results are the same.

Moreover, direct event CNC data produce the picture, very similar to Mslice.

Why converted and rebinned event data do not produce data, similar to direct event data -- the question to another ticket.

Why the event-converted data are rotated wrt the mslice -- another ticket too.

[Alex Buts]

refs #4201 Working prototype for Q3D and QND

Changeset: f4bcddc011f3ab438a1913e0d66ef20b992cd97e

[Alex Buts]

refs #4201 Fixing unix error

Changeset: 0d45d537b2b79adef6bb3cf1b268fcf7f03322dd

[Alex Buts]

refs #4201 Templates all over the place

Changeset: 0871f205083c1c4856b502382dd1ad4f4bc7bc4d

[Alex Buts]

refs #4201 fixing unix warnings

Changeset: 68eb3ea9681504011f4eef4f1b52571e49c5a2a9

[Alex Buts]

refs #4201 fixing Unix warnings.

Changeset: 27213860e84ae85de0f4db527f4fe08401e67c45

[Alex Buts]

refs #4201 algorithm renamed according to the ticket name

Changeset: a6f88bac2cbf2b13f9f90b732fd17e7bb0a51e70

[Alex Buts]

refs #4201 fixing Unix warning

Changeset: fe1f7ba65b32b7abf38764ed8aa693208e63a320

[Alex Buts]

refs #4201 Fixing Unix warnings.

Changeset: 845e2002e69d119ab0645e05330ef16f14a1db52

[Alex Buts]

refs #4201 ConvertUnits modified to recognize ConvBy/From TOF

In addition, algorithm selection routine changed and separated into parts, working with own users input unit each.

Changeset: e6e6541501d7045670422795ff77b65b8e220826

[Alex Buts]

refs #4201 Trying to fix unix error

Changeset: 2a5ea545c6fdbde1a88f352c97869b44bda30fdf

[Alex Buts]

refs #4201 fixing Unix warnings

Changeset: 1a8ff6b4cbd8fec3e966225c58d274cafac89ccd

[Alex Buts]

refs #4201 fixing Unix warnings

Changeset: d5a79ed73f950cb1896479bd2f4e6f58b504ec1a

[Alex Buts]

refs #4201 Tests for alg ID components

Changeset: bb2172a09831c1be7e921db5d12b5f8d3f9b6f3b

[Alex Buts]

refs #4201 All code completed except |Q|

Tests needed, proper rotation needed

Changeset: 538cbbd98a74a6ec61f122e0a5e6e42a3345b0a9

[Alex Buts]

refs #4201 Fixing Unix warnings

Changeset: f9daaea9668780ac36896a86c724ce7ef243eca3

[Alex Buts]

refs #4201 fixing unix warnings

Changeset: c27f4942a5a38259a3e75054634867de28f6e47b

[Alex Buts]

refs #4201 Tests for alg ID components

Changeset: bb2172a09831c1be7e921db5d12b5f8d3f9b6f3b

[Alex Buts]

refs #4201 Added ConvertByTOF templated conversion

Changeset: 7783db7d9d9bb803437ff6d29cd411931d87f559

[Alex Buts]

refs #4201 Attempt to separate the whole code into pieces

(more manageable units) does not compiles at the moment

Changeset: 3acd93015bd3bb5e03f489b947ab9d2e65f176e3

[Alex Buts]

refs #4201 All code completed except |Q|

Tests needed, proper rotation needed

Changeset: 538cbbd98a74a6ec61f122e0a5e6e42a3345b0a9

[Alex Buts]

refs #4201 Fixing Unix warnings

Changeset: f9daaea9668780ac36896a86c724ce7ef243eca3

[Alex Buts]

refs #4201 fixing unix warnings

Changeset: c27f4942a5a38259a3e75054634867de28f6e47b

[Alex Buts]

refs #4201 Modifications to unit conversion

Changeset: 2fe5e4b5d155c284a9b4143137cac4a7df4442d6

[Alex Buts]

refs #4201 Fixed bug caused by units conversion in elastic mode

Did I fixed all of these? It seems that conversion between units does not work on the basis of the equations, specified in Wiki

Changeset: f2db0a728ce23ac3b2ba1a95578b093f612022b1

[Alex Buts]

refs #4201 Trivial merge has been performed

Merge branch 'master' of ​https://github.com/mantidproject/mantid

Conflicts:

Code/Mantid/Framework/MDAlgorithms/src/ConvertToMDEvents.cpp

Changeset: 2287bdc7fc4d439e20a4a88667a84cd2f7bddf81

[Alex Buts]

refs #4201 Fixing Unix warnings

Changeset: c3bd33eab8af7bf714af6e30933e69c72d7a59b5

[Alex Buts]

refs #4201 Added the inheritance from BoxControllerSettingsAlgorithm

Changeset: 1d3dfaff043512d372657b0d084e1c463f9979dd

[Alex Buts]

refs #4201 Fixing test failure

Trivial fix (piece of code commented)

Changeset: d395410b22a8e6a2c767f2eec07175b2a5050099

[Alex Buts]

refs #4201 Fixing Unix warning

Changeset: 6edce1d787244f7a361f70023e0fa8688f23d8de

[Alex Buts]

refs #4201 Removed debug messages

generated when algorithm is constructed

Changeset: 09afbf919f507f2ac38dca6e8d2086dc7349d2aa

[Alex Buts]

refs #4201 Different small bugfixes

1) Kind of crude spectra-detector map selects valid spectra. 2) mixed numbers for direct and indirect modes. 3) Dangling pointer to the unit conversion in one of the coordinate transformation macro

Changeset: 7c30cb5d74323decff20c91f9c5bc3df3717e928

[Alex Buts]

refs #4201 Fixing Unix warnings.

Changeset: 14758d9cfa596049d3d2e0912c730ad16d0b7048

[Alex Buts]

refs #4201 Trivial scope error

Changeset: d82554b60f4ef3ca9dc115d3542da78c3c3c67ae

[Alex Buts]

refs #4201 Stupid warning fixed

Changeset: 87ca30ced7f553f518b73e758af23c40c5532491

[Alex Buts]

refs #4201 Different small bugfixes

1) Kind of crude spectra-detector map selects valid spectra. 2) mixed numbers for direct and indirect modes. 3) Dangling pointer to the unit conversion in one of the coordinate transformation macro

Changeset: 7c30cb5d74323decff20c91f9c5bc3df3717e928

[Alex Buts]

refs #4201 Fixing Unix warnings.

Changeset: 14758d9cfa596049d3d2e0912c730ad16d0b7048

[Alex Buts]

refs #4201 Trivial scope error

Changeset: d82554b60f4ef3ca9dc115d3542da78c3c3c67ae

[Alex Buts]

refs #4201 Stupid warning fixed

Changeset: 87ca30ced7f553f518b73e758af23c40c5532491

[Alex Buts]

refs #4201 Minor cosmetic changes.

Changeset: edfbff551e4a1e3b499cdcefb9255936debdf8b4

[Alex Buts]

refs #4201 added missing commit

Changeset: 238742239b8a0ed67b183e68b4c2b7fb6bd41de9

[Alex Buts]

refs #4201 Separated the WS processing from the WS ND factory

Separating workspace processing method from workspace n-dimensions factory

not completed, as there are questions about most efficient implementation of adding events Committed as reference point before taking one of the approaches. (probably the least efficient but may be the easiest)

Changeset: 3763b8162960baeb4f9cf5fc77778f501e280380

[Alex Buts]

refs #4201 Finished separating MDWventWS factory and conversion code

Changeset: d233f21a5addf3cb89a1d5bdb39f224bc9ab3228

[Alex Buts]

refs #4201 Fixed minor conflict

Merge branch 'master' of ​https://github.com/mantidproject/mantid

Conflicts:

Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToMDEventsMethods.h

Changeset: 26784d2303174396cc2b6d78709d4f340c11d65b

[Alex Buts]

refs #4201 fixing C-test error

Changeset: 56b7a027da12c2613944d4a2ffce17f43c6c2570

[Alex Buts]

refs #4201 Small addition to MDEventsWrapper test

Changeset: fb25fca1195b1552450b16b3ec75002af50c5092

[Alex Buts]

refs #4201 Deleted ConvertToQ3DdE.cpp

as this algorithm is fully incorporated into ConvertToMDEvents

Changeset: 196291e157854ac08541995d2d85a703ab703af8

[Alex Buts]

refs #4201 Warnings and trying to fix MAC error

Changeset: d5bd3dd02eff5ab4b78f1aa722c2e6ceb0ad1ef1

[Alex Buts]

refs #4201 trying to fix MAC error

Changeset: 08f6d6760ab749dde2493e47ceea36922ad6a589

[Alex Buts]

refs #4201 fixing warning

Changeset: 2bea53c9771c1ecda1e1804eb2083cc82df6cd0d

[Alex Buts]

refs #4201 Trying to fix unix build

Changeset: 041e8f147b6379f64a95a3206a22a2adba1f7b62

[Alex Buts]

refs #4201 Minor tiding up

Changeset: aeb7224ec93612e75441cc505fad4a24384379ea

[Alex Buts]

refs #4201 Fixing unix error

Changeset: c1453181ce1c8526c9e09d782b188728932c0880

[Alex Buts]

refs #4201 Trying to fix unix error

Changeset: 951ee2251979b7b16fad7acd6949dd98f56456e0

[Alex Buts]

refs #4201 A crude support for events

Using internal dynamic rebinning of the events itself (which may be incorrect)

Changeset: 13129464ad9b718781d23e0c279a3eab6f0dda6e

[Alex Buts]

refs #4201 Fixing unix error

Changeset: 84c186a023f97c010c6226243e43f244f0b7e76e

[Alex Buts]

Algorithm exists and works both for matrix workspace and event workspace but number of substantial improvements/additions still needed.

1) Adding new data to existing workspace 2) Current events are treated using dynamic rebinning -- it may be what is needed for ISIS but may be not. 3) More tests to verify if everything works correctly still needed.

4) Rotating crystal and more general&correct treatment of time logs used as a dimension.

5) Optimization and parallelisation

[Alex Buts]

refs #4201 minor bugfix

Changeset: 3cc9eefb804834644e61e8b265686868414c9225

[Alex Buts]

refs #4201 Allow the elastic mode without incident energy

Changeset: c5fb5e5d398b181cdca58c2e6baca89f5da81fe9

[Alex Buts]

refs #4201 fixing crash caused by negative size_t

was in EventsToEvents branch

Changeset: cadc635f4a4f1a8efdbb8e4f38d80f1aec948d5d

[Alex Buts]

refs #4201 Moved splitBox and boxController methods

from wsWrapper to IMDEventWorkspace interface

Changeset: 0ea2270412534f2a368ecb0a4da08038e4b6ae7f

[Alex Buts]

refs #4201 Added MDWDDescription class

Changeset: 355f75e09a612a6210ed1e475293820ce642fea5

[Alex Buts]

refs #4201 Code fully transformed

to separate the Mantid algorithm and the data conversion subalgorithms.

Changeset: 55a8ecd071fc2f1577e8fd893bdcdff62940b017

[Alex Buts]

refs #4201 ConvertToMDEvents ready for thread pull

Changeset: e6813cd83f50f609dc160d0b4cb015a5f0281568

[Alex Buts]

refs #4201 minor modifications

Changeset: 9f88ac36a112c035d9e7cbebbaf0b5f7e9ae78ee

[Alex Buts]

refs #4201 fixing Unix error

Changeset: d3c4882cb1de61d486ae3e59eeed37effab97272

[Alex Buts]

refs #4201 Fixing Unix error

Changeset: 9fdfd28e2554f4a5b271cd5899046af23bc0df83

[Alex Buts]

refs #4201 Trying to fix Unix error

Changeset: d07e2a8e3f1bd12672f124679a3b5cfc7e634a3d

[Alex Buts]

refs #4201 Fixing warnings

Changeset: 70c8042c0ec2e9a42738d0019ee4db04a1f62be4

[Alex Buts]

refs #4201 fixing warnings

Changeset: 6b8b7ffa773fec8afc279e1e00626be42ac31a56

[Karl Palmen]

Alex has confirmed that the algorithm is actually called ConvertToMDEvents

[Karl Palmen]

Unit test found in MDAlgorithmsTest.

[Karl Palmen]

Algorithm found to apply to only a limited set of workspaces. Ticket released to be tested by someone who knows about this set of workspaces.

[Nick Draper]

several commits also found under #3925 (duplicate ticket)

[Alex Buts]

refs #4201 More unit tests and some bug fixing

Native Conversion for MD event workspaces, which do not involve dynamic rebinning enabled

Changeset: a0c1397ac6c95180c98e59f691cf7b7a35047a1e

[Alex Buts]

refs #4201 Fixing unix error

Changeset: f2a5caba4c74a1348de7b07239c51a3268b33ea2

[Alex Buts]

refs #4201 Fixing Unix error

Changeset: 9ed41bd016b36071cbc138942e543b67a3e842cb

[Alex Buts]

refs #4201 Fixing Unix error

Changeset: e1934d5bbf3dbfeb0b7ba23417ee7ff8ba3f6c40

[Alex Buts]

refs #4201 Fixing Unix error

Changeset: ad8c79b5b44a6880205677db9a7c5765cd5e5da1

[Alex Buts]

refs #4201 Fixing unix error

Changeset: 503600845bee6dafc92d367f03e5b37f84ae5722

[Alex Buts]

refs #4201 fixing CXX error

Changeset: 5833a3768902fc5c3304bb9d7abcb2e5b562e1b2

[Alex Buts]

refs #4201 fixing CXX error

Changeset: cd37c00e467b50b8149fb17f870855bf39c780ab

[Alex Buts]

refs #4201 Fixing Unix error

Changeset: 0798bfa83400265a2ff19505d80f5652c90295d4

[Alex Buts]

refs #4201 Fixing CXX error

Changeset: 40aa85af15122eae9b3e33c19b2cb56ea4163f1c

[Alex Buts]

refs #4201 Tests for Units conversion + wsCreationHelper modified

spectra-detector ID in wsCreationHelper was strange -> creating complex detectors. Modified to work with simple detectors.

Changeset: 45091f2072b3ddfea84bbe76b5773135f674529b

[Alex Buts]

refs #4201 Trivial conflict resolved

Merge branch 'master' of ​https://github.com/mantidproject/mantid

Conflicts:

Code/Mantid/Framework/MDAlgorithms/test/ConvertToMDEventsUnitsConvTest.h

Changeset: 9f365323bd872e4032bbb69c8e4a135fd0f490cb

[Russell Taylor]

Remove DOS line endings. Re #4201.

Changeset: 137741116fe4df34bda35987cc647171781a0176

[Alex Buts]

refs #4201 Couple more Rather Smoke test then Unit test

Changeset: 8ab88ef9c800eb17ef7ba47db353c092031c780b

[Alex Buts]

refs #4201 Playing with GIT settings

no major changes

Changeset: d94f809248d644dc1e003fe19784392574992c92

[Alex Buts]

refs #4201 More unit tests

Committed rather to check CRLF issue then to do any useful work.

Changeset: bd86f213d15a5e4b87caff3f4f7c068e54440e6f

[Owen Arnold]

(In #4328) Tester: If you are testing this, you must have tested and closed #4201 first

[Alex Buts]

refs #4201 Final Smoke tests for ConvertToMDEvemts

Changeset: 247dec2839e8bfe48d342dc341ae34d2fbcb02ed

[Alex Buts]

refs #4201 trying to fix link error

Changeset: 0cfe23772f7812d1b0b335e74bc3e864c06e074b

[Alex Buts]

refs #4201 Fixing link error

Changeset: f86e7fb576674e06ddd20e509a57e80264a83f63

[Andrei Savici]

Things still missing:

• Rename axes to Qh Qk Ql in the MD workspace if you are using the UB matrix
• Check why the goniometer and the U matrix are not in the correct directions
• ticket #4503: event workspaces should be able to have units other than TOF

[Andrei Savici]

TODO: In ConvertToMDEventsCoordTransf.h you always use the transpose of rotmat Use

       double Qx  = (rotMat[0]*qx+rotMat[1]*qy+rotMat[2]*qz);
       double Qy  = (rotMat[3]*qx+rotMat[4]*qy+rotMat[5]*qz);
       double Qz  = (rotMat[6]*qx+rotMat[7]*qy+rotMat[8]*qz);

instead of

       double Qx  = (rotMat[0]*qx+rotMat[3]*qy+rotMat[6]*qz);
       double Qy  = (rotMat[1]*qx+rotMat[4]*qy+rotMat[7]*qz);
       double Qz  = (rotMat[2]*qx+rotMat[5]*qy+rotMat[8]*qz);

an so on (4 places). This will fix your orientation/goniometer

[Alex Buts]

refs #4201 Changed axis captions to hkl

Changeset: f2f221d3d37d7957a774192e0fb96d79b6494d11

[Alex Buts]

refs #4201 Attempt to flop rotation matrix

results are not convincing

Changeset: 7b601c03a5832d2565e0646a8f08fe35c2630560

[Alex Buts]

refs #4201 fixing unit test

Changeset: 778c1f119d6f9d8825d3f0ff153a1842fae7d664

[Andrei Savici]

Notes:

1. Change line 264 in ConvertToMDEventsCoordTransf.h to double Qx = (rotMat[0]*qx+rotMat[1]*qy+rotMat[2]*qz);
2. The conversion seems to ignore the UB matrix attached to the sample, that I set in a script. I can change lattice parameters, or I can change orientation vectors, and the output is the same. It looks like it has the (1,0,0), (0,1,0) orientation as default, and you cannot change that (by changing the UB matrix).

[Alex Buts]

refs #4201 Fixed big in transformation matrix definition

Changeset: 79a5b597efaed96b43f21d5b0584d4329d84f542

[Andrei Savici]

The algorithm works, but it does not convert to hkl. It does not use the UB matrix. If the UB matrix is set, and u and v not, it should use the U matrix from the oriented lattice. If the run has an orientedLattice object, and u and v are set, use the u and v to calculate the new orientation matrix. If no oriented lattice is set, use u and v, or their default values. the B matrix is not used, so it's not hkl, which I think was the purpose of this algorithm. If not, we should rename Q components to something else (Q1, Q2, Q3), and a VERY CLEAR description of what we are using should be put on the wiki (Q1 along u in \AA^-1 ,Q2 perpendicular to Q1, in the uv plane, also in inverse angstroms, and Q3 perpendicular to the plane. I can pass this ticket if you create a useful wiki page, and create a ticket for the changes that I put in this comment. Note that the intensity is probably wrong.

[Alex Buts]

refs #4201 Added Mslice-type axis caption generator

Added also default/non-default u-v settings (need verification)

and attempted to use UB matrix instead of U-matrix.

The later produce just rubbish -- so commented for the time being -- until clarified.

Changeset: 075704513ed36e0e7faf64dd9259efcae3fb1dbc

[Alex Buts]

refs #4201 missing test added

Changeset: 6182de168897238bf38860bda3b11ad88a0089b8

[Alex Buts]

refs #4201 fixing unix error

Changeset: 3dac01f02a2b156ffb0692e34a2d2a505a6c7e4b

[Alex Buts]

refs #4201 fixing Unix error

Changeset: c54d156de0de78bd9f382befefbdc9fdea5e5e2c

[Alex Buts]

refs #4201 commenting failing tests

The tests are for randomisation errors in axis description As slicer do not work with axis description at the moment and the randomization behaves differently on different machines -- placing it back.

Changeset: 41ee4de0d3dfc41daa30f57a06bc739a68b23af3

[Alex Buts]

refs #4201 transformation matrix returned to U

Changeset: 33181bb54c748529b68405be28296ce7d3dc3754

[Alex Buts]

refs #4201 changed Oriented lattice carried forward to target ws

Changeset: dfd255e218c50b4b84b474ac06ec61e0487fc591

[Alex Buts]

refs #4201 fixing unix warnings

Changeset: 730dc19c3c8bac0a63871e05d7af3ba401fd16c9

[Martyn Gigg]

Refs #4201. Fix line endings.

Changeset: 974556715b8d274934364eed1b210ff6c8889190

[Alex Buts]

refs #4201 Finishing touches.

No new code but small modifications, e.g. comments and clarifications.

Added check if the basis instrument, used to preprocess detectors once is the same second time.

Changeset: f2fa4ccc4e681a1d646fd4f550352c586e84f194

[Alex Buts]

refs #4201 Changed axis captions to hkl

Changeset: f2f221d3d37d7957a774192e0fb96d79b6494d11

[Alex Buts]

refs #4201 Attempt to flop rotation matrix

results are not convincing

Changeset: 7b601c03a5832d2565e0646a8f08fe35c2630560

[Alex Buts]

refs #4201 fixing unit test

Changeset: 778c1f119d6f9d8825d3f0ff153a1842fae7d664

[Alex Buts]

refs #4201 Fixed big in transformation matrix definition

Changeset: 79a5b597efaed96b43f21d5b0584d4329d84f542

[Alex Buts]

refs #4201 Added Mslice-type axis caption generator

Added also default/non-default u-v settings (need verification)

and attempted to use UB matrix instead of U-matrix.

The later produce just rubbish -- so commented for the time being -- until clarified.

Changeset: 075704513ed36e0e7faf64dd9259efcae3fb1dbc

[Alex Buts]

refs #4201 missing test added

Changeset: 6182de168897238bf38860bda3b11ad88a0089b8

[Alex Buts]

refs #4201 fixing unix error

Changeset: 3dac01f02a2b156ffb0692e34a2d2a505a6c7e4b

[Alex Buts]

refs #4201 fixing Unix error

Changeset: c54d156de0de78bd9f382befefbdc9fdea5e5e2c

[Alex Buts]

refs #4201 commenting failing tests

The tests are for randomisation errors in axis description As slicer do not work with axis description at the moment and the randomization behaves differently on different machines -- placing it back.

Changeset: 41ee4de0d3dfc41daa30f57a06bc739a68b23af3

[Alex Buts]

refs #4201 transformation matrix returned to U

Changeset: 33181bb54c748529b68405be28296ce7d3dc3754

[Alex Buts]

refs #4201 changed Oriented lattice carried forward to target ws

Changeset: dfd255e218c50b4b84b474ac06ec61e0487fc591

[Alex Buts]

refs #4201 fixing unix warnings

Changeset: 730dc19c3c8bac0a63871e05d7af3ba401fd16c9

[Martyn Gigg]

Refs #4201. Fix line endings.

Changeset: 974556715b8d274934364eed1b210ff6c8889190

[Alex Buts]

refs #4201 Finishing touches.

No new code but small modifications, e.g. comments and clarifications.

Added check if the basis instrument, used to preprocess detectors once is the same second time.

Changeset: f2fa4ccc4e681a1d646fd4f550352c586e84f194

[Andrei Savici]

Works for now. It does not use the B matrix, so it does not output hkl. This will be solved by a different ticket. Also, the intensity is not what we want. We need to divide by the number of 2D bins that contribute to each box. This is going to be dealt by another ticket as well. Good for testing and finding bugs, but NOT ready for widespread release in this iteration.

[Alex Buts]

refs #4201 Minor comments

Changeset: c5a1df3fa6918849c870e6e98a8a66432194d00a

[Alex Buts]

refs #4201 Comments hopefully addressing Jon's feedback

Changeset: 52b3470d471d945590d9735f13f71d8e34e7754e

[Stuart Campbell]

This ticket has been transferred to github issue ​5048