EnginXCalibrate: add option to produce table with output parameters

[FedeMPouzols]

This fixes #11806 Adds a new optional property. If you give a name, a table workspace will be created (with that name) that contains the (for now) two output parameters from EnginXCalibrate.

To test:

• Tests should pass. The new option is tested in a doc-test but I refrained from adding a test case for it in the unit test as that would further slow it down
• Code review.
• See if you like the option added. There would be other alternatives but this one looks simple and clean.
• You can also double-check if it works locally with commands like:

difc, zero = EnginXCalibrate(Filename="ENGINX00213855.nxs", ExpectedPeaks=[1.097, 2.1], Bank=1, OutputParametersTableName='foo_params_table') 
difc, zero = EnginXCalibrate(Filename="ENGINX00213855.nxs", ExpectedPeaks=[1.097, 2.1], Bank=1)  # no table produced

Relase notes: at the moment I'm not adding anything about these EnginX changes, as this is very much work in progress. I'd wait until we have a cleared view on what will be the more final directions and outcomes, etc. Then we can write more sensible release notes about EnginX.

[AndreiSavici]

Can you use import mantid.simpleapi instead of from mantid.simpleapi import CreateEmptyTableWorkspace. Your approach yields an extra pylint warning

[FedeMPouzols]

@AndreiSavici : I think that the last commit should fix that warning. I wonder why pylint doesn't like CreateEmptyTableWorkspace. What a crumpy tool!

[AndreiSavici]

@FedeMPouzols: In mantid.kernel or mantid.api we have an __init__ function that takes care of which functions are available. So you can do from mantid.kernel import V3D. Unfortunately mantid.simpleapi does not have this option. Neither has numpy

[Anders-Markvardsen]

Minor suggestion for change, that is change:

Name for a table workspace with the calibration parameters calculated by '
                             'from this algorithm: difc and zero parameters for GSAS. At the moment '
                             'these two parameters are added as two columns in a single row. If not given, no'
                             'table is generated.

to

Name for a table workspace with the calibration parameters calculated '
                             'from this algorithm: difc and zero parameters for GSAS. '
                             'These two parameters are added as two columns in a single row. If not given, no'
                             'table is generated.

[FedeMPouzols]

I just made the suggested change in the last commits. I also did small edits to the messages that come from other algorithms to make them a bit more verbose/understandable.

I found that the messages like

i_min = 50 i_max = 10167
cen=20193.6 fwhm=85.2446 height=6.40651 a0=-17.7074 a0=0.000915899 a2=0 chsq=0.411377
cen=38645.3 fwhm=160.154 height=16.6154 a0=-71.9592 a0=0.00188234 a2=0 chsq=0.175314

come from FindPeaks with 'warning' level. It seems to me that these should not be warnings, but I assume that they're logged cause in some other use cases that information from FindPeaks is useful. So I have downgraded these messages to 'notice' level which shouldn't show in (worrying) orange. I'd even go further and downgrade these to 'information' level which is actually used in other places in FindPeaks.

[FedeMPouzols]

Oops, the changes to FindPeaks.cpp produced a merge conflict with master. I'm fixing it...

[FedeMPouzols]

I have changed the log level of the two messages mentioned above to 'notice' and was thinking about going down to 'information', but then @Anders-Markvardsen and @peterfpeterson seem to agree that these two should be 'debug' ideally. I'd also second that, as they show very low level info. This change to 'debug' is for the moment 'blocked by' issue #12686 .

[Anders-Markvardsen]

output when run is now (which all output same colour):
LoadDetectorsGroupingFile started
LoadDetectorsGroupingFile successful, Duration 0.12 seconds
DeleteWorkspace started (child)
DeleteWorkspace successful, Duration 0.00 seconds
Finding peaks from giving starting point, with interval i_min = 50 i_max = 10167
Peak parameters found: cen=20193.6 fwhm=85.2446 height=6.40651 a0=-17.7074 a1=0.000915899 a2=0 chsq=0.411377
Peak parameters found: cen=38645.3 fwhm=160.154 height=16.6154 a0=-71.9592 a1=0.00188234 a2=0 chsq=0.175314
CreateEmptyTableWorkspace started (child)
CreateEmptyTableWorkspace successful, Duration 0.00 seconds
EnginXCalibrate successful, Duration 4.09 seconds

Further findpeak output will be reduced to debug in 12807