CreateTransmissionWorkspaceAuto

[Owen Arnold]

Max feels quite strongly that we ought to have methods to grab existing IDF parameters and feed them into our new algorithms (#8589 CreateTransmissionWorkspaceAuto). This is the existing way that quick works. See quick and quick_explicit #8520.

By far the best way to do this would be as a python algorithm as it avoids hard-coding IDF parameter names into binaries. The algorithms should be very simple and fill in as much as possible in CreateTransmissionWorkspace. This methodology will be required in order for us to replace the usage of quick script in the gui with these new algorithms.

[Owen Arnold]

refs #8616. Adding properties to dec.

Changeset: c7abd61dfc3a40d6f5fd1dec24daff2592d2a8d5

[Owen Arnold]

refs #8616. Add remaining properties.

Changeset: 4eb962c5788ba83f21536d37ab34115025faac40

[Owen Arnold]

refs #8616. Implemented now extending tests.

Have subclassed the existing test methods as these all should still work.

Changeset: b5cb1a53f177a24979c659cfd493384af181228c

[Owen Arnold]

refs #8616. Extend and fix tests.

Check via the history that the algorithm values supplied were from the IDF.

Changeset: 6c8c0ae19e3a01500f7119f04df40d69301f48a8

[Owen Arnold]

refs #8616. Base python test class.

Changeset: 39b62a0bc9ed7573e75aeb8783f09e6086b10ffb

[Owen Arnold]

refs #8616. Use test base class in auto algorithm.

This firstly ensures that the layout of the CreateTransmissionWorkspaceAuto algorithm is the same as CreateTransmissionWorkspace algorithm, and also that it's behaviour is the same if all parameters are passed in.

Changeset: ac79606e83232e53f7b8f50b278df163e8c11753

[Owen Arnold]

Tester: The following script creates two comparison plots. Each plot contains two curves that should be identical. One curve from the full-blown explicit algorithm as a base-line, and another from the Auto version of the CreateTransmissionWorkspace algorithm. Comparing the plots and checking the unit tests should be sufficient.

from mantid.simpleapi import *
from isis_reflectometry import quick
reload(quick)

class ReflectometryQuick(object):
  
    def runTest(self):
        defaultInstKey = 'default.instrument'
        defaultInstrument = config[defaultInstKey]
        
        config[defaultInstKey] = 'INTER'
        LoadISISNexus(Filename='13463', OutputWorkspace='13463')
        LoadISISNexus(Filename='13464', OutputWorkspace='13464')
        LoadISISNexus(Filename='13460', OutputWorkspace='13460')
    
        transmissionRuns = '13463,13464'
        
        # Via full algorithm
        transmission1 = CreateTransmissionWorkspace(WavelengthMin=1.0, WavelengthMax=17.0, WavelengthStep=0.05, MonitorBackgroundWavelengthMin=15.0, 
        MonitorBackgroundWavelengthMax=17.0, I0MonitorIndex=2, MonitorIntegrationWavelengthMin=4.0, MonitorIntegrationWavelengthMax=10.0, 
        WorkspaceIndexList=[3,4], FirstTransmissionRun='13463')
        
        # Via auto algorithm
        transmission2 = CreateTransmissionWorkspaceAuto(AnalysisMode='PointDetectorAnalysis', FirstTransmissionRun="13463")
        
        plotSpectrum([transmission1, transmission2], 0)
        
        
        # Via full algorithm
        transmission3 = CreateTransmissionWorkspace(WavelengthMin=1.0, WavelengthMax=17.0, WavelengthStep=0.05, MonitorBackgroundWavelengthMin=15.0, 
        MonitorBackgroundWavelengthMax=17.0, I0MonitorIndex=2, MonitorIntegrationWavelengthMin=4.0, MonitorIntegrationWavelengthMax=10.0, 
        WorkspaceIndexList=[3,4], Params=[1.5, 0.02, 17], StartOverlap=10.0, EndOverlap=12.0, FirstTransmissionRun='13463', SecondTransmissionRun='13464')
        
        # Via auto algorithm
        transmission4 = CreateTransmissionWorkspaceAuto(AnalysisMode='PointDetectorAnalysis', FirstTransmissionRun="13463", SecondTransmissionRun='13464', StartOverlap=10.0, EndOverlap=12.0, Params=[1.5, 0.02, 17.0])
        
        plotSpectrum([transmission3, transmission4], 0)
        
        
test = ReflectometryQuick()
test.runTest()

[Karl Palmen]

When I ran the script I found only one curve shown in each plot. When I used show data, I saw the second curve was Y=0 in the transmission1 workspace and Y=nan in the transmission3 workspace.

[Owen Arnold]

There are two curves in each plot should be identical. transmission1 and transmission2 are plotted together because they should be identical (and are). transmission3 and transmission4 are plotted together because those should be identical (and are). transmission1 and transmission3 are NOT comparable, that is why the script does not attempt to plot the spectrum from those two workspace together.

[Karl Palmen]

This time I also plotted the two curves of each of the original plots separately to verify that the reason only the second curve was visible was because it matches the first curve and so obscures it.

[Karl Palmen]

Merge remote-tracking branch 'origin/feature/8616_tranmission_auto'

Full changeset: ​f4db882ebe47d5e81ae62739de0a0d984db3c15a

[Stuart Campbell]

This ticket has been transferred to github issue ​9460