Instrument Parameter functions including simple formulas

[Nick Draper]

Target Date: 06/01/2010

Allow users to specify instrument level parameters (for things such as sigma in ikeda carpenter) as a function that can be evaluated when it is required. The user should be able to provide a single value or a function that will be used as a default value.

They should be able to enter the following:

• Function
• Parameter
• formula (accept a single value as well)
• Fixed (boolean default to false)
• Max (use as a bounded constraint if entered)
• Min (use as a bounded constraint if entered)
• PenaltyFactor (use as a bounded constraint if entered)

The steps involved here are (with estimates)

• define xml file format (2h)
• LoadInstrument Changes (8h)
• Calculate defaults for parameters in Function base class (8h)
• Muparser function evaulation (4h)

[Anders Markvardsen]

(In [3757]) Adopt populateInstrumentParameters method across all the raw data file readers including also reading in values from the parameter 'value' tag. Refs #967.

[Anders Markvardsen]

(In [3775]) Allow parameters of components to be looked up recursively. I.e. if parameter is not defined for component look up to see if defined for parent etc. Refs #967.

[Anders Markvardsen]

(In [3781]) In previous commit to this ticket forgot to update test instrument definition file. Refs #967.

[Anders Markvardsen]

(In [3783]) Change <parameter> notation from

<parameter name="x" logfile-id="trolley2_x_displacement" extract-single-value-as="position 1" />

to

<parameter name="x"> <logfile id="trolley2_x_displacement" extract-single-value-as="position 1" /> </parameter>

and e.g.

<parameter name="x" value="7.2" />

to

<parameter name="x"> <value= val="7.2" /> </parameter>

Refs #967.

[Martyn Gigg]

(In [3787]) Revert last changes to SANS IDF as the file won't load and RKH needs it. Re #967

[Anders Markvardsen]

(In [3790]) Corrected mistake added to POLREF_Definition (and SANS2D_Definition) and additional test to avoid a similar mistake in the future. Refs #967.

[Anders Markvardsen]

(In [3796]) Removed code for old parameter notation, added code to handled reserved keywords, added further tests, and updated www.mantidproject.org/InstrumentDefinitionFile with description of updated parameter notation. Refs #967.

[Anders Markvardsen]

(In [3818]) Added additional Ikeda Carpenter test on focussed data in preparation to adding value parameters to GEM instrument definition file. Refs #967.

[Anders Markvardsen]

(In [3905]) Modified Ikeda Carpenter test and corrected nexus file which was loaded with the wrong calibration file. Refs #967.

[Anders Markvardsen]

(In [3912]) Tests to see that Ikeda Carpenter parameters specified in GEM IDF are read in. Refs #967.

[Anders Markvardsen]

(In [3926]) Got Fit to 'speak to' parameters specified in IDF. Thanks to Roman and Russell for help in getting this to work. Refs #967.

[Anders Markvardsen]

(In [3954]) Introduce the concept of FitParameter 'type' to workspace parameter map, which can hold information other than the value of the a fitting parameter. Refs #967.

[Anders Markvardsen]

(In [3956]) Update Load tests in accordance with previous commit to this ticket. Refs #967.

[Anders Markvardsen]

(In [3969]) Added the ability to fix fitting parameters specified in instrument definition files. Added tests to FitParameters. Tested this works params defined in GEM IDF. Refs #967.

[Anders Markvardsen]

(In [3976]) When specifying fitting parameter now can associate fitting parameter with fitting function using notation

<parameter name="IkedaCarpenterPV:Alpha0" type="fitting"> <value val="0.734079"/> <fixed /> </parameter>

where IkedaCarpenterPV is the function the parameter is associated with. Wiki not updated yet. Refs #967.

[Anders Markvardsen]

(In [3984]) Updated http://www.mantidproject.org/InstrumentDefinitionFile in connection with previous commit to this ticket. Allow parameter to be specified at instrument level and done this for the GEM instrument. Added more tests. Refs #967.

[Anders Markvardsen]

(In [3994]) Allow <min> <max> to be specified for fitting parameters. Refs #967.

[Martyn Gigg]

(In [3995]) Fix linux build and clear a few warnings regarding unused parameters. Re #967

[Anders Markvardsen]

(In [4016]) Added interpolation class in preparation to read in tables from IDF. Added working Nexus test in IkedaCarpenterTest (possible now that workspace parameter map is loaded at the end of LoadInstrument). Refs #967.

[Anders Markvardsen]

(In [4034]) The following look up table syntax now gets populated in the workspace parameter map

<parameter name="somefunction:toplevel2" type="fitting">

<lookuptable interpolation="linear" x-unit="TOF">

<point x="1" y="1" /> <point x="3" y="100" /> <point x="5" y="1120" /> <point x="10" y="1140" />

</lookuptable>

</parameter>

Refs #967.

[Anders Markvardsen]

(In [4041]) Changed IFunction to update parameters also from look-up-table and for constraints defined in IDF. Put all UNIT TESTING instrument definition files into subdirectory of test/instrument.

Refs #967.

[Roman Tolchenov]

(In [4043]) Modified Installer build script to ignore directories which names contain "UNIT_TESTING". re #967

[Anders Markvardsen]

(In [4060]) More unit tests for fitting parameters in IDFs. Fixed problem with constraints not being added to parameter map.

Refs #967.

[Anders Markvardsen]

(In [4072]) Code for unit conversion when look up table specified.

Refs #967.

[Anders Markvardsen]

(In [4073]) Update broken test in connection with previous commit to this ticket.

Refs #967.

[Russell Taylor]

(In [4074]) Fix test. Re #967.

[Anders Markvardsen]

(In [4090]) Added more realistic test which test the unit conversion of look up tables. Start on allowing formula to IDF.

Refs #967.

[Anders Markvardsen]

(In [4103]) Allow formula to be specified using notation:

<parameter name="somefunction:formula" type="fitting">

<formula eq="100.0+10*value+value^{2" unit="TOF"/>}

</parameter>

Refs #967.

[Anders Markvardsen]

(In [4112]) Added code which makes use of the optional formula unit attribute. Refs #967.

[Anders Markvardsen]

(In [4131]) Fixed bug (located by Russell) when Nexus file is loaded containing fitting parameters. Refs #967.

[Anders Markvardsen]

(In [4141]) Code in preparation for allowing percentage constraints and further unit testing of formulas. Refs #967.

[Anders Markvardsen]

(In [4143]) Allow the following percentage notation

<parameter name="somefunction:Alpha" type="fitting">

<value val="250.0" /> <min val="80%"/> <max val="120%"/>

</parameter>

results in Alpha being constrained to sit between 250*0.8=200 and 250*1.20=300.

Wiki http://www.mantidproject.org/InstrumentDefinitionFile updated.

Refs #967.

[Anders Markvardsen]

(In [4152]) Updated GEM_Definition.xml with Ikeda-Carpenter fitting parameter values according to values in IRF file generated 11/2003 by L. Chapon. Refs #967.

[Anders Markvardsen]

(In [4153]) In formula changed 'value' to 'centre' and updated wiki accordingly. In Interpolation when outside table interpolate linearly instead of then taking endpoints. Refs #967.

[Anders Markvardsen]

(In [4156]) Fix test broken in previous commit to this ticket. Refs #967.

[Stuart Campbell]

This ticket has been transferred to github issue ​1815