From 02b28bae710c00901db89b8ea210e85a6db2cb62 Mon Sep 17 00:00:00 2001
From: Dan Nixon <dan@dan-nixon.com>
Date: Thu, 19 Mar 2015 14:06:56 +0000
Subject: [PATCH] Added unit test, fixed number wavelength issue
Refs #11325
---
.../CylinderPaalmanPingsCorrection.py | 31 +--
.../python/plugins/algorithms/CMakeLists.txt | 1 +
.../CylinderPaalmanPingsCorrectionTest.py | 193 ++++++++++++++++++
3 files changed, 213 insertions(+), 12 deletions(-)
create mode 100644 Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/CylinderPaalmanPingsCorrectionTest.py
diff --git a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/CylinderPaalmanPingsCorrection.py b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/CylinderPaalmanPingsCorrection.py
index 63194550285..0bd716a44ca 100644
--- a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/CylinderPaalmanPingsCorrection.py
+++ b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/CylinderPaalmanPingsCorrection.py
@@ -44,7 +44,7 @@ class CylinderPaalmanPingsCorrection(PythonAlgorithm):
self.declareProperty(name='SampleNumberDensity', defaultValue=0.1,
validator=FloatBoundedValidator(0.0),
doc='Sample number density in atoms/Angstrom3')
- self.declareProperty(name='SampleInnerRadius', defaultValue=0.09,
+ self.declareProperty(name='SampleInnerRadius', defaultValue=0.05,
doc='Sample inner radius')
self.declareProperty(name='SampleOuterRadius', defaultValue=0.1,
doc='Sample outer radius')
@@ -68,12 +68,9 @@ class CylinderPaalmanPingsCorrection(PythonAlgorithm):
self.declareProperty(name='BeamWidth', defaultValue=0.1,
doc='Width of the beam at the sample.')
- self.declareProperty(name='StepSize', defaultValue=0.1,
+ self.declareProperty(name='StepSize', defaultValue=0.002,
doc='Step size for calculation')
- self.declareProperty(name='NumberWavelengths', defaultValue=10,
- validator=IntBoundedValidator(1),
- doc='Number of wavelengths for calculation')
self.declareProperty(name='Interpolate', defaultValue=True,
doc='Interpolate the correction workspaces to match the sample workspace')
@@ -124,12 +121,20 @@ class CylinderPaalmanPingsCorrection(PythonAlgorithm):
can_sample = mtd[self._can_ws_name].sample()
can_material = can_sample.getMaterial()
- # total scattering x-section for can
- sigs.append(can_material.totalScatterXSection())
- sigs.append(can_material.totalScatterXSection())
- # absorption x-section for can
- siga.append(can_material.absorbXSection())
- siga.append(can_material.absorbXSection())
+ # total scattering x-section for can
+ sigs.append(can_material.totalScatterXSection())
+ sigs.append(can_material.totalScatterXSection())
+ # absorption x-section for can
+ siga.append(can_material.absorbXSection())
+ siga.append(can_material.absorbXSection())
+
+ else:
+ # total scattering x-section for can
+ sigs.append(0.0)
+ sigs.append(0.0)
+ # absorption x-section for can
+ siga.append(0.0)
+ siga.append(0.0)
# Holders for the corrected data
data_ass = []
@@ -220,6 +225,9 @@ class CylinderPaalmanPingsCorrection(PythonAlgorithm):
Get algorithm properties.
"""
+ # This is fixed by the Fortran code
+ self._number_wavelengths = 10
+
self._sample_ws_name = self.getPropertyValue('SampleWorkspace')
self._sample_chemical_formula = self.getPropertyValue('SampleChemicalFormula')
@@ -239,7 +247,6 @@ class CylinderPaalmanPingsCorrection(PythonAlgorithm):
self._beam_height = self.getProperty('BeamHeight').value
self._beam_width = self.getProperty('BeamWidth').value
- self._number_wavelengths = self.getProperty('NumberWavelengths').value
self._interpolate = self.getProperty('Interpolate').value
self._emode = self.getPropertyValue('Emode')
diff --git a/Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/CMakeLists.txt b/Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/CMakeLists.txt
index 1424514d62e..e225a757fcb 100644
--- a/Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/CMakeLists.txt
+++ b/Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/CMakeLists.txt
@@ -10,6 +10,7 @@ set ( TEST_PY_FILES
CreateLeBailFitInputTest.py
CreateCalibrationWorkspaceTest.py
CreateWorkspaceTest.py
+ CylinderPaalmanPingsCorrectionTest.py
DakotaChiSquaredTest.py
DensityOfStatesTest.py
DSFinterpTest.py
diff --git a/Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/CylinderPaalmanPingsCorrectionTest.py b/Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/CylinderPaalmanPingsCorrectionTest.py
new file mode 100644
index 00000000000..27955836344
--- /dev/null
+++ b/Code/Mantid/Framework/PythonInterface/test/python/plugins/algorithms/CylinderPaalmanPingsCorrectionTest.py
@@ -0,0 +1,193 @@
+import unittest
+from mantid.kernel import *
+from mantid.api import *
+from mantid.simpleapi import CreateSampleWorkspace, Scale, DeleteWorkspace, CylinderPaalmanPingsCorrection, CreateSimulationWorkspace
+from IndirectImport import is_supported_f2py_platform
+
+
+class CylinderPaalmanPingsCorrectionTest(unittest.TestCase):
+
+ def setUp(self):
+ """
+ Create sample workspaces.
+ """
+
+ # Create some test data
+ sample = CreateSampleWorkspace(NumBanks=1,
+ BankPixelWidth=1,
+ XUnit='Wavelength',
+ XMin=6.8,
+ XMax=7.9,
+ BinWidth=0.1)
+ self._sample_ws = sample
+
+ can = Scale(InputWorkspace=sample, Factor=1.2)
+ self._can_ws = can
+
+ self._corrections_ws_name = 'corrections'
+
+
+ def tearDown(self):
+ """
+ Remove workspaces from ADS.
+ """
+
+ DeleteWorkspace(self._sample_ws)
+ DeleteWorkspace(self._can_ws)
+
+ if self._corrections_ws_name in mtd:
+ DeleteWorkspace(self._corrections_ws_name)
+
+
+ def _verify_workspace(self, ws_name):
+ """
+ Do validation on a correction workspace.
+
+ @param ws_name Name of workspace to validate
+ """
+
+ corrections_ws = mtd[self._corrections_ws_name]
+
+ # Check it is in the corrections workspace group
+ self.assertTrue(corrections_ws.contains(ws_name))
+
+ test_ws = mtd[ws_name]
+
+ # Check workspace is in wavelength
+ self.assertEqual(test_ws.getAxis(0).getUnit().unitID(),
+ 'Wavelength')
+
+ # Check it has the same number of spectra as the sample
+ self.assertEqual(test_ws.getNumberHistograms(),
+ self._sample_ws.getNumberHistograms())
+
+ # Check it has X binning matching sample workspace
+ self.assertEqual(test_ws.blocksize(), self._sample_ws.blocksize())
+
+
+ def _verify_workspaces_for_can(self):
+ """
+ Do validation on the additional correction factors for sample and can.
+ """
+
+ ass_ws_name = self._corrections_ws_name + '_ass'
+ assc_ws_name = self._corrections_ws_name + '_assc'
+ acsc_ws_name = self._corrections_ws_name + '_acsc'
+ acc_ws_name = self._corrections_ws_name + '_acc'
+
+ workspaces = [ass_ws_name, assc_ws_name, acsc_ws_name, acc_ws_name]
+
+ for workspace in workspaces:
+ self._verify_workspace(workspace)
+
+
+ def test_sampleOnly(self):
+ """
+ Test simple run with sample workspace only.
+ """
+
+ # Just pass if we can't actually run the algorithm
+ if not is_supported_f2py_platform():
+ return
+
+ CylinderPaalmanPingsCorrection(OutputWorkspace=self._corrections_ws_name,
+ SampleWorkspace=self._sample_ws,
+ SampleChemicalFormula='H2-O',
+ SampleInnerRadius=0.05,
+ SampleOuterRadius=0.1,
+ Emode='Indirect',
+ Efixed=1.845)
+
+ ass_ws_name = self._corrections_ws_name + '_ass'
+ self. _verify_workspace(ass_ws_name)
+
+
+ def test_sampleAndCan(self):
+ """
+ Test simple run with sample and can workspace.
+ """
+
+ # Just pass if we can't actually run the algorithm
+ if not is_supported_f2py_platform():
+ return
+
+ CylinderPaalmanPingsCorrection(OutputWorkspace=self._corrections_ws_name,
+ SampleWorkspace=self._sample_ws,
+ SampleChemicalFormula='H2-O',
+ SampleInnerRadius=0.05,
+ SampleOuterRadius=0.1,
+ CanWorkspace=self._can_ws,
+ CanChemicalFormula='V',
+ CanOuterRadius=0.15,
+ BeamHeight=0.1,
+ BeamWidth=0.1,
+ Emode='Indirect',
+ Efixed=1.845)
+
+ self._verify_workspaces_for_can()
+
+
+ def test_sampleAndCanDefaults(self):
+ """
+ Test simple run with sample and can workspace using the default values.
+ """
+
+ # Just pass if we can't actually run the algorithm
+ if not is_supported_f2py_platform():
+ return
+
+ CylinderPaalmanPingsCorrection(OutputWorkspace=self._corrections_ws_name,
+ SampleWorkspace=self._sample_ws,
+ SampleChemicalFormula='H2-O',
+ CanWorkspace=self._can_ws,
+ CanChemicalFormula='V')
+
+ self._verify_workspaces_for_can()
+
+
+ def test_InterpolateDisabled(self):
+ """
+ Tests that a workspace with a bin count equal to NumberWavelengths is created
+ when interpolation is disabled.
+ """
+
+ # Just pass if we can't actually run the algorithm
+ if not is_supported_f2py_platform():
+ return
+
+ CylinderPaalmanPingsCorrection(OutputWorkspace=self._corrections_ws_name,
+ SampleWorkspace=self._sample_ws,
+ SampleChemicalFormula='H2-O',
+ CanWorkspace=self._can_ws,
+ CanChemicalFormula='V',
+ Interpolate=False)
+
+ corrections_ws = mtd[self._corrections_ws_name]
+
+ # Check each correction workspace has X binning matching NumberWavelengths
+ for workspace in corrections_ws:
+ self.assertEqual(workspace.blocksize(), 10)
+
+
+ def test_validationNoCanFormula(self):
+ """
+ Tests validation for no chemical formula for can when a can WS is provided.
+ """
+
+ self.assertRaises(RuntimeError,
+ CylinderPaalmanPingsCorrection,
+ OutputWorkspace=self._corrections_ws_name,
+ SampleWorkspace=self._sample_ws,
+ SampleChemicalFormula='H2-O',
+ SampleInnerRadius=0.05,
+ SampleOuterRadius=0.1,
+ CanWorkspace=self._can_ws,
+ CanOuterRadius=0.15,
+ BeamHeight=0.1,
+ BeamWidth=0.1,
+ Emode='Indirect',
+ Efixed=1.845)
+
+
+if __name__=="__main__":
+ unittest.main()
--
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