From 2381e2f3763f3826a4d3f2d2076e46ac4e7df5ce Mon Sep 17 00:00:00 2001
From: Dan Nixon <dan@dan-nixon.com>
Date: Mon, 13 Oct 2014 16:06:18 +0100
Subject: [PATCH] Added Vesuvio resolution algorithm
Refs #10346
---
.../plugins/algorithms/VesuvioResolution.py | 78 +++++++++++++++++++
1 file changed, 78 insertions(+)
create mode 100644 Code/Mantid/Framework/PythonInterface/plugins/algorithms/VesuvioResolution.py
diff --git a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/VesuvioResolution.py b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/VesuvioResolution.py
new file mode 100644
index 00000000000..f7f10f53fc3
--- /dev/null
+++ b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/VesuvioResolution.py
@@ -0,0 +1,78 @@
+from mantid.simpleapi import *
+from mantid.api import *
+from mantid.kernel import *
+import mantid
+
+
+class VesuvioResolution(PythonAlgorithm):
+
+ def category(self):
+ return 'Inelastic'
+
+ def summary(self):
+ return 'Calculates the resolution function for VESUVIO'
+
+ def PyInit(self):
+ self.declareProperty(WorkspaceProperty(name='Sample',
+ defaultValue='',
+ direction=Direction.Input),
+ doc='Sample workspace')
+
+ self.declareProperty(name='SpectraIndex', defaultValue=0,
+ doc='Spectra index to use for resolution')
+
+ self.declareProperty(name='Mass', defaultValue=100.0,
+ doc='The mass defining the recoil peak in AMU')
+
+ self.declareProperty(name='OutputMode', defaultValue='TOF',
+ validator=StringListValidator(['TOF', 'y-Space']),
+ doc='')
+
+ self.declareProperty(WorkspaceProperty(name='OutputWorkspace',
+ defaultValue='',
+ direction=Direction.Output),
+ doc='Output resolution workspace')
+
+
+ def PyExec(self):
+ sample_ws = self.getPropertyValue('Sample')
+ out_ws = self.getPropertyValue('OutputWorkspace')
+ spectrum_index = self.getProperty('SpectraIndex').value
+ mass = self.getProperty('Mass').value
+ output_mode = self.getPropertyValue('OutputMode')
+
+ function = 'name=VesuvioResolution, Mass=%f' % mass
+ fit_naming_stem = '__vesuvio_res_fit'
+
+ # Execute the resolution function using fit.
+ # Functions can't currently be executed as stand alone objects,
+ # so for now we will run fit with zero iterations to achieve the same result.
+ fit = mantid.api.AlgorithmManager.createUnmanaged('Fit')
+ fit.initialize()
+ fit.setChild(True)
+ fit.setLogging(False)
+ mantid.simpleapi._set_properties(fit, function, sample_ws, MaxIterations=0,
+ CreateOutput=True, Output=fit_naming_stem, WorkspaceIndex=spectrum_index,
+ OutputCompositeMembers=True)
+ fit.execute()
+ fit_ws = fit.getProperty("OutputWorkspace").value
+
+ # Extract just the function values from the fit spectrum
+ extract = mantid.api.AlgorithmManager.createUnmanaged('ExtractSingleSpectrum')
+ extract.initialize()
+ extract.setChild(True)
+ extract.setLogging(False)
+ extract.setProperty("InputWorkspace", fit_ws)
+ extract.setProperty("OutputWorkspace", out_ws)
+ extract.setProperty("WorkspaceIndex", 1)
+ extract.execute()
+ out_ws = extract.getProperty('OutputWorkspace').value
+
+ # Convert to y-Space if needed
+ if output_mode == 'y-Space':
+ pass
+
+ self.setProperty('OutputWorkspace', out_ws)
+
+
+AlgorithmFactory.subscribe(VesuvioResolution)
--
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