diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/QLRun.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/QLRun.py
index a058e40059b69a329f6046d6640f9d9797f0722f..7da1d0e8651e08198beafcfa987b8eaa07169b7b 100644
--- a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/QLRun.py
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/QLRun.py
@@ -97,13 +97,13 @@ class QLRun(PythonAlgorithm):
self.declareProperty(WorkspaceGroupProperty('OutputWorkspaceFit', '', direction=Direction.Output),
doc='The name of the fit output workspaces')
+ self.declareProperty(MatrixWorkspaceProperty('OutputWorkspaceResult', '', direction=Direction.Output),
+ doc='The name of the result output workspaces')
+
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspaceProb', '', optional=PropertyMode.Optional,
direction=Direction.Output),
doc='The name of the probability output workspaces')
- self.declareProperty(MatrixWorkspaceProperty('OutputWorkspaceResult', '', direction=Direction.Output),
- doc='The name of the result output workspaces')
-
def validateInputs(self):
self._get_properties()
@@ -349,8 +349,9 @@ class QLRun(PythonAlgorithm):
logger.information('Output fit file created : ' + fit_path)
logger.information('Output paramter file created : ' + out_path)
- self.setProperty('OutputworkspaceFit', fitWS)
+ self.setProperty('OutputWorkspaceFit', fitWS)
self.setProperty('OutputWorkspaceResult', outWS)
+
if self._program == 'QL':
self.setProperty('OutputWorkspaceProb', probWS)
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/QLRunTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/QLRunTest.py
index 5f4f76a679f0937bf69ae52ef7f443e384622ff2..06bbd4d8f5d8c3edc4afcdad3211b277857386e1 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/QLRunTest.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/QLRunTest.py
@@ -18,9 +18,9 @@ class QLRunTest(unittest.TestCase):
self._num_hists = self._sample_ws.getNumberHistograms()
- def _validate_QLr_result(self, result, probability, group):
+ def _validate_QLr_shape(self, result, probability, group):
"""
- Validates that the result workspace is of the correct type, units and shape.
+ Validates that the output workspaces are of the correct type, units and shape.
@param result Result workspace from QLRun
@param prob Probability workspace from QLRun
@@ -52,20 +52,53 @@ class QLRunTest(unittest.TestCase):
self.assertEquals(sub_ws.getAxis(0).getUnit().unitID(), 'DeltaE')
- def _validate_QSe_result(self, result, group):
+ def _validate_Qlr_value(self, result, probability, group):
"""
- Validates that the result workspace is of the correct type, units and shape.
+ Validates that the output workspaces have expected values
+ with values from the last known correct version
@param result Result workspace from QLRun
+ @param prob Probability workspace from QLRun
@param group Group workspace of fitted spectra from QLRun
"""
+ # Test values of result
+ result_y = result.dataY(0)
+ self.assertEquals(round(result.dataY(0)[0], 5), 6.06105)
+ self.assertEquals(round(result.dataY(1)[0], 4), 68.5744)
+ self.assertEquals(round(result.dataY(2)[0], 7), 0.0589315)
+ self.assertEquals(round(result.dataY(3)[0], 7), 0.0812087)
+
+ # Test values of probability
+ prob_y = probability.dataY(0)
+ self.assertEquals(round(probability.dataY(0)[0], 1), -74176.1)
+ self.assertEquals(round(probability.dataY(1)[0], 3), -404.884)
+ self.assertEquals(round(probability.dataY(2)[0], 6), -0.222565)
+
+ # Test values of group
+ sub_ws = group.getItem(0)
+ sub_y = sub_ws.dataY(0)
+ self.assertEquals(round(sub_ws.dataY(0)[0], 5), 0.02540)
+ self.assertEquals(round(sub_ws.dataY(1)[0], 5), 0.01903)
+ self.assertEquals(round(sub_ws.dataY(2)[0], 5), -0.00638)
+ self.assertEquals(round(sub_ws.dataY(3)[0], 5), 0.01614)
+ self.assertEquals(round(sub_ws.dataY(4)[0], 5), -0.00926)
+
+
+ def _validate_QSe_shape(self, result, group):
+ """
+ Validates that the output workspaces are of the correct type, units and shape.
+ with values from the last known correct version
+
+ @param result Result workspace from QLRun
+ @param group Group workspace of fitted spectra from QLRun
+ """
# Test size/shape of result
self.assertTrue(isinstance(result, MatrixWorkspace))
- self.assertEquals(result.getNumberHistograms(), 21)
- self.assertEquals(result.blocksize(), self._num_bins)
- self.assertEquals(result.getAxis(0).getUnit().unitID(), 'q')
+ self.assertEquals(result.getNumberHistograms(), 3)
+ self.assertEquals(result.blocksize(), self._num_hists)
+ self.assertEquals(result.getAxis(0).getUnit().unitID(), 'MomentumTransfer')
# Test size/shape of group fitting workspaces
self.assertTrue(isinstance(group, WorkspaceGroup))
@@ -76,29 +109,80 @@ class QLRunTest(unittest.TestCase):
sub_ws = group.getItem(i)
self.assertTrue(isinstance(sub_ws, MatrixWorkspace))
self.assertEqual(sub_ws.getNumberHistograms(), 3)
- self.assertEqual(sub_ws.blocksize(), self._num_bins)
- self.assertEquals(sub_ws.getAxis(0).getUnit().unitID(), 'MomentumTransfer')
-
+ self.assertEquals(sub_ws.getAxis(0).getUnit().unitID(), 'DeltaE')
+
+
+
+ def _validate_QSe_value(self, result, group):
+ """
+ Validates that the output workspaces have expected values
+
+ @param result Result workspace from QLRun
+ @param prob Probability workspace from QLRun
+ @param group Group workspace of fitted spectra from QLRun
+ """
+
+ # Test values of result
+ result_y = result.dataY(0)
+ self.assertEquals(round(result.dataY(0)[0], 5), 81.12644)
+ self.assertEquals(round(result.dataY(1)[0], 7), 0.0319747)
+ self.assertEquals(round(result.dataY(2)[0], 5), 0.77168)
+
+ # Test values of group
+ sub_ws = group.getItem(0)
+ sub_y = sub_ws.dataY(0)
+ self.assertEquals(round(sub_ws.dataY(0)[0], 5), 0.02540)
+ self.assertEquals(round(sub_ws.dataY(1)[0], 5), 0.01632)
+ self.assertEquals(round(sub_ws.dataY(2)[0], 5), -0.00908)
+
+
+
+
+
def test_QLr_Run(self):
"""
Test Lorentzian fit for QLRun
"""
- fit_group, prob, result = QLRun(Program='QL',
- SampleWorkspace=self._sample_ws,
- ResolutionWorkspace=self._res_ws,
- MinRange=-0.547607,
- MaxRange=0.543216,
- SampleBins=1,
- ResolutionBins=1,
- Elastic=False,
- Background='Sloping',
- FixedWidth=False,
- UseResNorm=False,
- WidthFile='',
- Loop=True,
- Save=False,
- Plot='None')
- self._validate_QLr_result(result, prob, fit_group)
+ fit_group, result, prob= QLRun(Program='QL',
+ SampleWorkspace=self._sample_ws,
+ ResolutionWorkspace=self._res_ws,
+ MinRange=-0.547607,
+ MaxRange=0.543216,
+ SampleBins=1,
+ ResolutionBins=1,
+ Elastic=False,
+ Background='Sloping',
+ FixedWidth=False,
+ UseResNorm=False,
+ WidthFile='',
+ Loop=True,
+ Save=False,
+ Plot='None')
+ self._validate_QLr_shape(result, prob, fit_group)
+ self._validate_Qlr_value(result, prob, fit_group)
+
+
+ def test_QSe_Run(self):
+ """
+ Test Stretched Exponential fit for QLRun
+ """
+ fit_group, result = QLRun(Program='QSe',
+ SampleWorkspace=self._sample_ws,
+ ResolutionWorkspace=self._res_ws,
+ MinRange=-0.547607,
+ MaxRange=0.543216,
+ SampleBins=1,
+ ResolutionBins=1,
+ Elastic=False,
+ Background='Sloping',
+ FixedWidth=False,
+ UseResNorm=False,
+ WidthFile='',
+ Loop=True,
+ Save=False,
+ Plot='None')
+ self._validate_QSe_shape(result, fit_group)
+ self._validate_QSe_value(result, fit_group)
if __name__=="__main__":
unittest.main()
\ No newline at end of file