User experience improvements for reactor source experiments

[Andrei Savici]

As part of testing ticket #10929 I have found a few things left to improve

1. LoadSpiceAscii should not require dat time format
2. ConvertSpiceDataToRealSpace creates an MD workspace with Y min and max limits both 0
3. ConvertCWPDMDToSpectra is a weird name. It should at least be explained in the documentation
4. Binning parameters must contain 3 numbers. People might be used to Rebin, that can also use one value. Minimum and maximum can be calculated
5. There is a weird warning message "Unable to set unit to an Unit::Empty object." The reason is that the "Degrees" unit is not registered.

Changes:

a) Code/Mantid/Framework/Kernel/inc/MantidKernel/Unit.h, line 616, replace

{ return ""; }

with

;

b) Code/Mantid/Framework/Kernel/src/Unit.cpp add line 1121

DECLARE_UNIT(Degrees)

c) fix code in Code/Mantid/Framework/MDAlgorithms/src/ConvertCWPDMDToSpectra.cpp about Twotheta to

pdws->getAxis(0)->setUnit("Degrees");

[Wenduo Zhou]

Refs #11282. Fixed some issues related to reduce HFIR data.

1. LoadSpiceAscii has date time format with default to SPICE's current

standard

2. ConvertCWPDMDToSpectra is explained in the sumary;
3. Binning parameters can accept bin size only in

ConvertCWPDMDToSpectra. Xmin and Xmax will be searched automatically.

• modified: ../Mantid/Framework/DataHandling/src/LoadSpiceAscii.cpp
• modified: ../Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertCWPDMDToSpectra.h
• modified: ../Mantid/Framework/MDAlgorithms/src/ConvertCWPDMDToSpectra.cpp
• modified: ../Mantid/Framework/MDAlgorithms/test/ConvertCWPDMDToSpectraTest.h

Changeset: 6dab661ded9c2c7b555ccb05913a55db0f89bef6

[Wenduo Zhou]

Refs #11282. Implemented unit Degrees.

And added unit test for it.

Fixed a bug about MomentumTransfer in ConvertCWPDMDToSpectra.

Use Degrees for output workspace if target unit is 2theta for ConvertCWPDMDToSpectra.

Changeset: efe1ecf9736de56e43736b48833a36c77a0ff7f4

[Wenduo Zhou]

This is being verified as ​pull request #370.

[Wenduo Zhou]

Fixed a bug in LoadSpiceAscii's doc. Refs #11282.

Changeset: a067b1b8d38540e7685854e567daffb96aa0a6ba

[Federico Montesino Pouzols]

Jenkins, retest this please

[Federico Montesino Pouzols]

Jenkins, retest this please

[Wenduo Zhou]

Retest please.

[Wenduo Zhou]

Jenkins, retest this please

[Wenduo Zhou]

Refs #11282. Fixed some issue on bin boundary.

Changeset: 3614b9afa19f52e8080963e116f5a0e07aba5e81

[Wenduo Zhou]

Tester:

Here is the list of item that you can check against the requests for this ticket:

1. LoadSpiceAscii should not require date time format:
   • A default value is set to property DateAndTimeLog. The default value is of current HFIR's standard;
2. ConvertSpiceDataToRealSpace creates an MD workspace with Y min and max limits both 0:
   • This issue will be resolved in ticket #11288(​http://trac.mantidproject.org/mantid/ticket/11288).
3. ConvertCWPDMDToSpectra is a weird name. It should at least be explained in the documentation:
   • Check the documentation and this algorithm's summary. The issue is addressed

4.Binning parameters must contain 3 numbers. People might be used to Rebin, that can also use one value. Minimum and maximum can be calculated:

• Minimum value and maximum value can be determined automatically. To test, you can run the script attached in the next comment. The difference between the diffraction pattern with min/max given or not should have very small difference.

5. There is a weird warning message "Unable to set unit to an Unit::Empty object." The reason is that the "Degrees" unit is not registered:
   • 'Degree' is added. You can check unit test and the result in the script next.

[Wenduo Zhou]

Test script: test file 'HB2A_exp0231_scan0001.dat' can be found in unit test.

LoadSpiceAscii(Filename='HB2A_exp0231_scan0001.dat', DateAndTimeLog='date,MM/DD/YYYY,time,HH:MM:SS AM', OutputWorkspace='HB2A_exp0231_scan0001_DataTable', RunInfoWorkspace='HB2A_exp0231_scan0001_Log')

ConvertSpiceDataToRealSpace(InputWorkspace='HB2A_exp0231_scan0001_DataTable', RunInfoWorkspace='HB2A_exp0231_scan0001_Log', OutputWorkspace='HB2A_exp0231_scan0001_DataMD', OutputMonitorWorkspace='HB2A_exp0231_scan0001_MonitorMD')

ConvertCWPDMDToSpectra(InputWorkspace='HB2A_exp0231_scan0001_DataMD', InputMonitorWorkspace='HB2A_exp0231_scan0001_MonitorMD',

BinningParams='5,0.1,150', OutputWorkspace='TTheta', NeutronWaveLength=2.4100000000000001)

ConvertCWPDMDToSpectra(InputWorkspace='HB2A_exp0231_scan0001_DataMD', InputMonitorWorkspace='HB2A_exp0231_scan0001_MonitorMD',

BinningParams='0.1', OutputWorkspace='TTheta2', NeutronWaveLength=2.4100000000000001)

ConvertCWPDMDToSpectra(InputWorkspace='HB2A_exp0231_scan0001_DataMD', InputMonitorWorkspace='HB2A_exp0231_scan0001_MonitorMD',

BinningParams='0.5,0.01, 30.0', OutputWorkspace='Dspace', NeutronWaveLength=2.4100000000000001, UnitOutput='dSpacing')

ConvertCWPDMDToSpectra(InputWorkspace='HB2A_exp0231_scan0001_DataMD', InputMonitorWorkspace='HB2A_exp0231_scan0001_MonitorMD',

BinningParams='0.01', OutputWorkspace='Dspace2', NeutronWaveLength=2.4100000000000001, UnitOutput='dSpacing')

ConvertCWPDMDToSpectra(InputWorkspace='HB2A_exp0231_scan0001_DataMD', InputMonitorWorkspace='HB2A_exp0231_scan0001_MonitorMD',

BinningParams='0.5,0.01, 30.0', OutputWorkspace='Q', NeutronWaveLength=2.4100000000000001, UnitOutput='Momentum Transfer (Q)')

ConvertCWPDMDToSpectra(InputWorkspace='HB2A_exp0231_scan0001_DataMD', InputMonitorWorkspace='HB2A_exp0231_scan0001_MonitorMD',

BinningParams='0.01', OutputWorkspace='Q2', NeutronWaveLength=2.4100000000000001, UnitOutput='Momentum Transfer (Q)')

[Wenduo Zhou]

Cleaned the codes for log output. Refs #11282.

Changeset: 2265ef043d4ef4f1a28c12ba8794a01a7eab02f4

[Wenduo Zhou]

Retest this please.

[Andrei Savici]

The code is very complicated. It reimplements Rebin, InterpolatingRebin, Scale. It can be reduced by at least a factor of 3, and made more readable. I have created ticket #11399 (​http://trac.mantidproject.org/mantid/ticket/11399) to deal with this issue

[Andrei Savici]

Merge pull request #370 from mantidproject/feature/11282_spice_issues

Fixing usability issues for reducing HFIR data from SPICE file

Full changeset: ​f946f7f9bf6a1e8fbffc2ab17c767a01852c4f13

[Stuart Campbell]

This ticket has been transferred to github issue ​12121