This project is mirrored from https://github.com/mantidproject/mantid.git. Pull mirroring updated .
  1. 25 Mar, 2020 1 commit
  2. 20 Mar, 2020 1 commit
  3. 28 Nov, 2019 1 commit
    • Martyn Gigg's avatar
      Accept OrientedLattice by unique_ptr · 424fc625
      Martyn Gigg authored
      The overwhelming use case for this method is to
      take ownership of a lattice object into Sample.
      Using unique_ptr clarifies that this is happening
      at the call site and forces a caller to make copy
      if that is truly the desired behaviour. The old code
      make a copy internally but this was not obvious
      from the method call.
      424fc625
  4. 15 Apr, 2019 1 commit
    • Peterson, Peter's avatar
      Add ability to select sample component · ec8d1bf1
      Peterson, Peter authored
      This provides for a simplified workflow of
      SetSample->AbsorptionCorrection for for the numerical integration
      methods. This can be called once for each component of the sample being
      calculated for.
      ec8d1bf1
  5. 12 Feb, 2019 1 commit
    • Antti Soininen's avatar
      Add support for number densities in formula units / A^3 · 2ff8591b
      Antti Soininen authored
      This includes changes in MaterialBuilder, SetSampleMaterial and
      LoadSampleEnvironment and the relevant Python exports.
      
      Additionally fixed the return type of some getMaterial() and material()
      methods; they were supposed to return references not copies.
      
      Re #21468
      2ff8591b
  6. 07 Feb, 2019 2 commits
    • Verena Reimund's avatar
      Completely remove openMP parallel for loop · 289a0d64
      Verena Reimund authored
      Reasons I see:
      - not easy to terminate the parallel for loop earlier in case of log mismatch found (using a while(condition) loop?)
      - consequently, if we remove the openMP loop, we get only two debug messages in case of log mismatch found.
      
      Timing of system tests (only to see if it gets bad -> or better):
      sequential execution
      									  Change           Master run1        Master run2
      [  0%]   1/479 : ISISIndirectInelastic.IRISCalibration ................. (success: 0.14s) (success: 0.15s) (success: 0.11s)
      [  0%]   2/479 : ISISIndirectInelastic.IRISConvFit ..................... (success: 0.93s) (success: 1.12s) (success: 0.97s)
      [  0%]   3/479 : ISISIndirectInelastic.IRISDiagnostics ................. (success: 0.15s) (success: 0.14s) (success: 0.14s)
      [  0%]   4/479 : ISISIndirectInelastic.IRISElwinAndMSDFit .............. (success: 0.45s) (success: 0.40s) (success: 0.50s)
      [  1%]   5/479 : ISISIndirectInelastic.IRISIqtAndIqtFit ................ (success: 13.65s) (success: 14.31s) (success: 13.25s)
      [  1%]   6/479 : ISISIndirectInelastic.IRISIqtAndIqtFitMulti ........... (success: 14.20s) (success: 14.26s) (success: 14.34s)
      [  1%]   7/479 : ISISIndirectInelastic.IRISMoments ..................... (success: 0.13s) (success: 0.17s) (success: 0.15s)
      [  1%]   8/479 : ISISIndirectInelastic.IRISMultiFileReduction .......... (success: 0.31s) (success: 0.41s) (success: 0.40s)
      [  1%]   9/479 : ISISIndirectInelastic.IRISMultiFileSummedReduction .... (success: 0.28s) (success: 0.35s) (success: 0.31s)
      [  2%]  10/479 : ISISIndirectInelastic.IRISReduction ................... (success: 0.23s) (success: 0.20s) (success: 0.21s)
      [  2%]  11/479 : ISISIndirectInelastic.IRISResolution .................. (success: 0.21s) (success: 0.23s) (success: 0.25s)
      ...
      [  3%]  18/479 : ISISIndirectInelastic.OSIRISIqtAndIqtFitMulti .......... (success: 20.90s) (success: 19.45s) (success: 20.67s)
      [  3%]  19/479 : ISISIndirectInelastic.OSIRISMoments .................... (success: 0.31s) (success: 0.31s) (success: 0.37s)
      [  4%]  20/479 : ISISIndirectInelastic.OSIRISMultiFileReduction ......... (success: 0.74s) (success: 1.01s) (success: 0.97s)
      ...
      [  5%]  26/479 : ISISIndirectInelastic.TOSCAReduction ................... (success: 2.20s) (success: 2.41s) (success: 2.26s)
      [  5%]  27/479 : MagnetismReflectometryReductionTest.MRDANGLE0Test ...... (success: 29.55s) (success: 29.98s) (success: 31.05s)
      
      -j24
      															  Change           Master
      [  0%]   1/479 : ISISIndirectInelastic.IRISCalibration .................................................................. (success: 0.21s) (success: 0.18s)
      [  0%]   2/479 : ISISIndirectBayesTest.JumpCETest ....................................................................... (success: 0.26s) (success: 0.18s)
      [  0%]   3/479 : POLDICreatePeaksFromCellTest.POLDICreatePeaksFromCellTestAl2O3 ......................................... (success: 0.67s) (success: 1.02s)
      [  1%]   5/479 : DOSTest.DOSCastepTest .................................................................................. (success: 0.22s) (success: 0.14s)
      [  1%]   8/479 : AbinsTest.AbinsBinWidth ................................................................................ (success: 3.01s) (success: 3.23s)
      [  3%]  19/479 : DOSTest.DOSIRActiveTest ................................................................................ (success: 0.10s) (success: 0.09s)
      [  5%]  28/479 : BASISTest.ElwinTest .................................................................................... (success: 9.74s) (success: 8.05s)
      [  7%]  34/479 : LiquidsReflectometryReductionWithBackgroundTest.BadPeakSelectionTest ................................... (success: 18.62s) (success: 19.34s)
      [ 10%]  52/479 : ILLPowderDiffDetScanReductionTest.D20_Mask_ReductionTest ............................................... (success: 70.82s) (success: 108.79s)
      [ 13%]  63/479 : SANSILLReductionTest.ILL_D22_Test ...................................................................... (success: 41.38s) (success: 42.57s)
      [ 13%]  66/479 : LiquidsReflectometryReductionWithBackgroundTest.LiquidsReflectometryReductionWithBackgroundPreciseTest . (success: 19.73s) (success: 21.10s)
      [ 14%]  71/479 : SANS2DBatchTest_V2.SANS2DBatchTest_V2 .................................................................. (success: 26.43s) (success: 29.80s)
      [ 15%]  72/479 : VesuvioCorrectionsTest.TestCorrectionsInBackScatteringSpectra .......................................... (success: 108.14s) (success: 118.66s)
      [ 20%]  98/479 : ILLPowderDiffDetScanReductionTest.D20_NoMask_ReductionTest ............................................. (success: 80.40s) (success: 108.79s)
      
      Refs #24527
      289a0d64
    • Antti Soininen's avatar
      Fix empty sample names when saving Nexus · b0d2c9ac
      Antti Soininen authored
      The NeXus library changes empty strings to contain a single space
      preventing saving an empty sample name. For empty sample names, we now
      add an additional flag attribute 'name_empty' to tell the loader that the
      name is actually just an empty string.
      
      Re #24712
      b0d2c9ac
  7. 21 Jan, 2019 1 commit
    • Verena Reimund's avatar
      Fix comparison with invalid sizes · b34c0a77
      Verena Reimund authored
      Crash was caused by checkSample
      
      - in constructor of Sample, initialise m_name
      - debug messages which sample logs differ
      - easier parallel code
      - if sample log properties do not have same size, not only return, but also never compare those
      
      Refs #24527
      b34c0a77
  8. 12 Dec, 2018 1 commit
  9. 07 Dec, 2018 1 commit
  10. 27 Nov, 2018 4 commits
  11. 05 Oct, 2018 1 commit
    • Nick Draper's avatar
      Merge pull request #23693 from mantidproject/23488_update_file_headers · ef3ccb58
      Nick Draper authored
      Update copyright headers in all files
      
      Squashed commit of the following:
      
      * First version of a script to manage copyright statements
      
      re #23468
      
      * Neatened up script, added comments
      
      re #23488
      
      * move script to tools directory
      
      re #23488
      
      * small script changes and a couple of manual file changes
      
      re #23488
      
      * Minor chnage to whitespace detection in regex
      
      re #23488
      
      * Add an excluded directory
      
      re #23488
      
      * remove a repeasted copyright statement in a file
      
      re #23488
      
      * Don't comsume the comment end if it is on the same line
      
      re #23488
      
      * fix error in new copright parsing
      
      re #23488
      
      * remove double copyrifght entry
      
      re #23488
      
      * Improve handling of old copyrights at the start of comments
      
      re #23488
      
      * remove empty comments re #23488
      
      * exclude gsoapgenerated directories
      
      re #23488
      
      * Sort out greedy line matching re #23488
      
      * improve empty comment removal
      
      re #23488
      
      * improve false positives
      
      re #23488
      
      * impressive speedup by limiting regex matching length
      
      re #23488
      
      * remove evil invisible non ascii character
      
      Also upadte the copyright at the same time
      
      re #23488
      
      * resolve multiple copyrights in a single file
      
      re #23488
      
      * resolve an issue with new statement detection
      
      re #23488
      
      * another unprintable unicode character
      
      re #23488
      
      * pep updates and cmake the new copyright fit clang format
      
      re #23488
      
      * update already done new format headers
      
      re #23488
      
      * wrong type of bracket
      
      re #23488
      
      * Update class_maker and friends
      
      re #23488
      
      * Update all copyright statements
      
      re #23488
      
      * clang format re #23488
      
      * flake8 warnings re #23488
      
      * Flake8 warnings re #23488
      
      * Exclude .cmake.in and rb.in files
      
      re #23488
      
      * replace missing line re #23488
      
      * exclude .py.in files as they are flasely recognized as C++
      
      re #23488
      
      * another setp.py.in re #23488
      
      * another .py.in correction re #23488
      
      * Hopefully the last of the .py.in files re #23488
      
      * resolve utf-8 encoding of python files and changed ABINS checksum
      
      re #23488
      
      * updates to unit tests that reference line numbers
      
      re #23488
      
      * remaining unit test files and other fixes
      
      re #23488
      ef3ccb58
  12. 06 Aug, 2018 1 commit
  13. 27 Mar, 2018 1 commit
    • Karl Palmen's avatar
      Merge remote-tracking branch 'origin/master' re #12828 · 6ccb4979
      Karl Palmen authored
      # Please enter a commit message to explain why this merge is necessary,
      # especially if it merges an updated upstream into a topic branch.
      #
      # Lines starting with '#' will be ignored, and an empty message aborts
      # the commit.
      6ccb4979
  14. 26 Feb, 2018 1 commit
  15. 21 Feb, 2018 1 commit
  16. 14 Feb, 2018 1 commit
  17. 29 Nov, 2017 3 commits
  18. 27 Nov, 2017 1 commit
  19. 09 Nov, 2017 1 commit
  20. 03 Oct, 2017 1 commit
  21. 29 Aug, 2016 1 commit
  22. 27 Jul, 2016 1 commit
  23. 06 May, 2016 1 commit
  24. 09 Feb, 2016 1 commit
  25. 25 Jan, 2016 1 commit
  26. 16 Jan, 2016 2 commits
  27. 20 Oct, 2015 1 commit
  28. 16 Oct, 2015 1 commit
  29. 05 Oct, 2015 1 commit
  30. 16 Dec, 2014 1 commit
  31. 14 Oct, 2014 2 commits
  32. 13 Oct, 2014 1 commit