Rewire ConvertToDiffractionMDWorkspace

[Nick Draper]

Create a new version of this algorithm (version 2), where it runs ConvertToMD underneath, passing over arguments as necessary.

This is a prelude to deprecation.

[Nick Draper]

Moved to r2.6 at the end of r2.5

[Alex Buts]

refs #6856 Copied ConvertToDiffractionMDWorkspace.cpp

into MD algorithms

Changeset: 7d40f473314ba31940afa80f278acd1867ad8b1a

[Alex Buts]

refs #6856 Cloned initial algorithm into version 2

and verified that everything (unit tests) works fine, so we have two identical versions of the same algorithm with only the version number different

Changeset: 036d14be4a6779699f937e6dc6db5d887d8a9b7d

[Alex Buts]

refs #6856 Compiles but does not work

Changeset: 01a0702e3fae2a2ad58cd47f3d3c384a3176af12

[Alex Buts]

refs #6856 All works except single event per bin

Changeset: 598886f1432633be0984386b8451d74390fcd930

[Alex Buts]

refs #6856 Disable missing properties on interface and some comments

Changeset: 24b049578cb648bf09d1d29276f1882100c1cfda

[Alex Buts]

refs #6856 merge conflicts with the develop

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' into develop

Conflicts:

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

Changeset: 202de9cc4982fd9988ac1a5953cc8a5f21d53fb6

[Alex Buts]

refs #6856 minor comments

Changeset: 8730c54c8b9520a2cf2f1e21a3e9f26c30061f38

[Alex Buts]

refs #6856 minor warning ans suspicions for merge error

Changeset: 3082a780c15a47d04a38ad77517b92eaacc0b6a3

[Alex Buts]

refs #6856 Resolving merge conflicts

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' into develop

Conflicts:

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

Changeset: cb7dade8a127cc7c7dae6ab848340d734cac7abf

[Alex Buts]

refs #6856 Minor commits, and digging for merge conflict source

Changeset: 3138b1a078b93e5abfd062b271bc980bdfc9ce59

[Alex Buts]

refs #6856 Resolving merge conflict

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' of ​https://github.com/mantidproject/mantid into develop

Conflicts:

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

Changeset: ebf4e84a00a098811e3870d525f65f8623cda58c

[Alex Buts]

It is possible to have merge conflict with master (at least there are concurrent changes on develop) in ConvertToMD.cpp file

The correct (working with develop) function looks like attached below, though I have no idea where half of the changes came from. I think the tester, if faced with conflicts, should replace the copyMetaData function with the function provided below and hope for the best.

void ConvertToMD::copyMetaData(API::IMDEventWorkspace_sptr mdEventWS, MDEvents::MDWSDescription &targWSDescr) const
{
 // Copy ExperimentInfo (instrument, run, sample) to the output WS
  API::ExperimentInfo_sptr ei(m_InWS2D->cloneExperimentInfo());

  ei->mutableRun().addProperty("RUBW_MATRIX",targWSDescr.m_Wtransf.getVector(),true);
  ei->mutableRun().addProperty("W_MATRIX",targWSDescr.getPropertyValueAsType<std::vector<double> >("W_MATRIX"),true);

  // run index as the number of experiment into megred within this run. It is possible to interpret it differently 
  // and should never expect it to start with 0 (for first experiment info)
  uint16_t runIndex = mdEventWS->addExperimentInfo(ei);

  const MantidVec & binBoundaries = m_InWS2D->readX(0);

  // Replacement for SpectraDetectorMap::createIDGroupsMap using the ISpectrum objects instead
  auto mapping = boost::make_shared<det2group_map>();
  for ( size_t i = 0; i < m_InWS2D->getNumberHistograms(); ++i )
  {
    const auto& dets = m_InWS2D->getSpectrum(i)->getDetectorIDs();
    if(!dets.empty())
    {
      std::vector<detid_t> id_vector;
      std::copy(dets.begin(), dets.end(), std::back_inserter(id_vector));
      mapping->insert(std::make_pair(id_vector.front(), id_vector));
    }
  }

  uint16_t nexpts = mdEventWS->getNumExperimentInfo();
  for(uint16_t i = 0; i < nexpts; ++i)
  {
    ExperimentInfo_sptr expt = mdEventWS->getExperimentInfo(i);
    expt->mutableRun().storeHistogramBinBoundaries(binBoundaries);
    expt->cacheDetectorGroupings(*mapping);
  }

 // add rinindex to the target workspace description for further usage as the identifier for the events, which come from this run. 
    targWSDescr.addProperty("RUN_INDEX",runIndex,true);  
}

[Alex Buts]

refs #6856 Enabling last disabled unit test

Changeset: 1f38c46c6fa711d7f97a7c5bb46f5222efc02c3e

[Alex Buts]

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' of ​https://github.com/mantidproject/mantid into develop

[Alex Buts]

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' of ​https://github.com/mantidproject/mantid into develop

[Alex Buts]

refs #6856 doxygen errors

Changeset: 137d5965b49eb0ec64fc98b81ea38885cec1ed0e

[Alex Buts]

refs #6856 more comments

Changeset: b985bc9893c6ac0a8549daf72fd6a8724415c473

[Alex Buts]

To tester:

There are currently two version of ConvertToDiffractionMDWorkspace algorithm where the old one is V1 and the new one wraps ConvertToDiffractionMDWorkspace interface around convertToMD algorithm. The same unit tests with minor modifications for calling proper version pass for both versions.

Tester should try some real life example converting into MD using old and new version of the algorithm and check that results are similar (not exactly the same as different round-off and different summation may lead to slight variations)

new ConvertToDiffractionMDWorkspace always works with ClearInputWorkspace=false; OneEventPerBin=true options and generates MDEventWorkspace rather then MELeanEventWorkspace

[Alex Buts]

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' of ​https://github.com/mantidproject/mantid into develop

[Alex Buts]

refs #6856 Temporary modifying the system tests to run prev algorithm

Changeset: 35fc6a79ac51ca7e9ed51ec8d7574337b11414d1

[Alex Buts]

system tests need fixing

[Alex Buts]

refs #6856 One more place to change the alg version

Changeset: 6d687b5e86bdbc5f8c70aede18d51906fac12413

[Alex Buts]

refs #6856 reverting change to API2 erroneously merged with this ticket

Changeset: 9e24ad70eab301298eaf037a29582453c44161db

[Alex Buts]

refs #6856 still reverting API2

Changeset: 52ab230c798eb9f22ffd9f5dd9a73f78d463cdee

[Alex Buts]

refs #6856 fixing conflicts

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' into develop

Conflicts:

SystemTests/AnalysisTests/MDWorkspaceTests.py

Changeset: 2fbe864dba804810e724e63dc4f26d356f7e224f

[Alex Buts]

refs #6856 Trying to identify the error in Diffraction_Workflow_Test

Changeset: bb2ff26ac52fd2b431c33e6778c65d8963debcd9

[Alex Buts]

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' into develop

[Alex Buts]

refs #6856 still undoing wrong merge with new API ticket

Changeset: f9ec762bd0688415411acac0978436767bd497a7

[Alex Buts]

refs #6856 attempting to solve 3-sided conflict

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' into develop

Conflicts:

SystemTests/AnalysisTests/Diffraction_Workflow_Test.py

Changeset: fd2ef3d4fc001c9c4c6386aa354300816afbb368

[Alex Buts]

refs #6856 Temporary reverting to V1 of algorithm

Changeset: 364be2684257df6c4b34166825c21e828974fce9

[Alex Buts]

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' into develop

[Alex Buts]

refs #6856 fixing ConvertToDiffractionMDWorkspace interface

Changeset: e0734911de5ec96b0f5ee30b3effe1a17a1a8df9

[Alex Buts]

refs #6856 Copied ConvertToDiffractionMDWorkspace.cpp

into MD algorithms

Changeset: 4e34acb0274e5ac16885bdab63adc037610c88cd

[Alex Buts]

refs #6856 Cloned initial algorithm into version 2

and verified that everything (unit tests) works fine, so we have two identical versions of the same algorithm with only the version number different

Changeset: 19319ba1983fd56dd852d6735d9bfe0c5acab6de

[Alex Buts]

refs #6856 Compiles but does not work

Changeset: b8f384b4af4a30b0f00dfc8257a846a40d52cc61

[Alex Buts]

refs #6856 All works except single event per bin

Changeset: 6354c9415bd9e2ad51543d5dd871572fe16a829f

[Alex Buts]

refs #6856 Disable missing properties on interface and some comments

Changeset: 87f2599720dc175338fa5e68f2400f6635f0c959

[Alex Buts]

refs #6856 minor comments

Changeset: fdbddee266861389a8f4abbd520e0193785f2609

[Alex Buts]

refs #6856 minor warning ans suspicions for merge error

Changeset: f8159475f393afad75209630b749f63c99803232

[Alex Buts]

refs #6856 Minor commits, and digging for merge conflict source

Changeset: 8406d5318de061cf020eeece29f5571de6c3eb4c

[Alex Buts]

refs #6856 Enabling last disabled unit test

Changeset: d48de8ec0de992b704af8c7059a45f95be40feb1

[Alex Buts]

refs #6856 doxygen errors

Changeset: 0838a1beaa32975516c1140d1ca201fb25fb9240

[Alex Buts]

refs #6856 more comments

Changeset: 27045d93fae3476313d2661ab9c4fb187c0d238d

[Alex Buts]

refs #6856 Temporary modifying the system tests to run prev algorithm

Changeset: 300cdca4955d15b13140aedc837d8ab48e6f5cf4

[Alex Buts]

refs #6856 One more place to change the alg version

Changeset: 79625bd87b53101f511e28912c02306009d3565d

[Alex Buts]

refs #6856 reverting change to API2 erroneously merged with this ticket

Changeset: ef84da15e9b01296320fae714374962e4a4af28f

[Alex Buts]

refs #6856 still reverting API2

Changeset: f5c1df44bb8d9966863adc3fcdbe323efb67e69f

[Alex Buts]

refs #6856 Trying to identify the error in Diffraction_Workflow_Test

Changeset: cdb1820e3910ed6e15f071d258a6fe80f2009dea

[Alex Buts]

refs #6856 still undoing wrong merge with new API ticket

Changeset: 683e20377c3ac3d82ca1415b750de344ec50a955

[Alex Buts]

refs #6856 Temporary reverting to V1 of algorithm

Changeset: d8bc21ac304c07714c8b190cd063fd3ff720d581

[Alex Buts]

refs #6856 fixing ConvertToDiffractionMDWorkspace interface

Changeset: c2719637eaed37160745d2126ad5d073c225042c

[Alex Buts]

refs #6856 small merging error fixed

Changeset: e258d6ace3bbd30e4ac3de73d3a375d5900013b7

[Alex Buts]

refs #6856 fixing merging conflicts with changes to API-2

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' into develop

Conflicts:

SystemTests/AnalysisTests/Diffraction_Workflow_Test.py SystemTests/AnalysisTests/MDWorkspaceTests.py SystemTests/AnalysisTests/WishDiffuseScattering.py

Changeset: a980763a449c1c4f4b64bcc5e72f0392a8076f54

[Alex Buts]

refs #6856 Merge conflicts

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' into develop

Conflicts:

SystemTests/AnalysisTests/Diffraction_Workflow_Test.py

Changeset: 26a78fe16fa7dabad6b6cfed107ca84c3f3fb325

[Alex Buts]

refs #6856 Merge conflicts

Merge branch 'feature/6856_ConvertToDiffractionMDWS_v2' into develop

Conflicts:

Code/Mantid/Framework/MDAlgorithms/src/ConvertToMD.cpp Code/Mantid/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py

Changeset: 355e0a01eee737d2ba67b40477fbdd918a23a9d1

[Alex Buts]

To Tester: new comments

Two versions of ConvertToDiffractionMDWorkspace algorithm where build where the old one is V1 and the new one wraps ConvertToDiffractionMDWorkspace interface around convertToMD algorithm. The same unit tests with minor modifications for calling proper version pass for both versions.

The changes are in branches feature/6856_ConvertToDiffractionMDWS_v2 and these branch exist both in Mantid and in SystemTests. Both have to be merged to correspondent master for system tests to pass.

Some system tests do not pass for the new version of algorithm, so there is ticket #7189 to check what is going on.

There were already tickets stating that ConvertToMD and ConvertToDiffractionMDWorispace produce similar results. This ticket is just to create a ConvertToDiffractionMDWorkspace wrapper for ConvertToMD.

Tester should try to run ConvertToDiffractionMDWorkspace interface and look at it bearing in mind that new ConvertToDiffractionMDWorkspace always works with ClearInputWorkspace=false; OneEventPerBin=true options and generates MDEventWorkspace rather then MELeanEventWorkspace.

The tester may look for further cases where the algorithms produce different results but remember about #7189.

I have rebased branches to master so there should be no conflicts (at least there were no conflicts at the start of the week)

[Alex Buts]

refs #6856 temporary reverting SXDAnalysis to work with V1 of the

ConvertToDiffractionMDWorkspace as the new one is substantially slower.

Changeset: 6811c9e6768a15185f872c30cd37ffffc521cdec

[Peter Peterson]

Merge remote branch 'origin/feature/6856_ConvertToDiffractionMDWS_v2'

Conflicts:

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

Re #6856.

Changeset: e3f1dada77bd1f50bed74cf16f58dd0addb88bb7

[Stuart Campbell]

This ticket has been transferred to github issue ​7702