diff --git a/Framework/PythonInterface/plugins/algorithms/OptimizeCrystalPlacementByRun.py b/Framework/PythonInterface/plugins/algorithms/OptimizeCrystalPlacementByRun.py index 5a3387b53bb15a2a3c548331df29ecb210d77052..0ab0361b4cae86e3c2e6443e5433ed6fb64d5f4a 100644 --- a/Framework/PythonInterface/plugins/algorithms/OptimizeCrystalPlacementByRun.py +++ b/Framework/PythonInterface/plugins/algorithms/OptimizeCrystalPlacementByRun.py @@ -6,7 +6,7 @@ # SPDX - License - Identifier: GPL - 3.0 + #pylint: disable=no-init -from mantid.api import PythonAlgorithm, AlgorithmFactory, ITableWorkspaceProperty, WorkspaceFactory +from mantid.api import PythonAlgorithm, AlgorithmFactory, ITableWorkspaceProperty from mantid.kernel import Direction from mantid.simpleapi import * from mantid import mtd @@ -30,7 +30,7 @@ class OptimizeCrystalPlacementByRun(PythonAlgorithm): self.declareProperty(ITableWorkspaceProperty("InputWorkspace", "", Direction.Input), "The name of the peaks workspace that will be optimized.") self.declareProperty("Tolerance", 0.15, "Tolerance of indexing of peaks.") - self.declareProperty("OutputWorkspace", "", + self.declareProperty("OutputWorkspace", "", "The name of the peaks workspace that will be created.") def PyExec(self): @@ -47,11 +47,10 @@ class OptimizeCrystalPlacementByRun(PythonAlgorithm): minR = int(stats.column('RunNumber')[stat_col.index('Minimum')]) maxR = int(stats.column('RunNumber')[stat_col.index('Maximum')]) + 1 AnalysisDataService.remove(stats.getName()) - group = [] for run in range(minR, maxR): - FilterPeaks(InputWorkspace=ws, OutputWorkspace=str(run), FilterVariable='RunNumber', - FilterValue=run, Operator='=') + FilterPeaks(InputWorkspace=ws, OutputWorkspace=str(run), FilterVariable='RunNumber', + FilterValue=run, Operator='=') run = mtd[str(run)] peaks = run.getNumberPeaks() if peaks == 0: @@ -59,10 +58,8 @@ class OptimizeCrystalPlacementByRun(PythonAlgorithm): else: group.append(str(run)) GroupWorkspaces(InputWorkspaces=group, OutputWorkspace=ws_group) - - OptimizeCrystalPlacement(PeaksWorkspace=ws_group, ModifiedPeaksWorkspace=ws_group, AdjustSampleOffsets=True, - MaxSamplePositionChangeMeters=0.005,MaxIndexingError=tolerance) - + OptimizeCrystalPlacement(PeaksWorkspace=ws_group, ModifiedPeaksWorkspace=ws_group, AdjustSampleOffsets=True, + MaxSamplePositionChangeMeters=0.005,MaxIndexingError=tolerance) RenameWorkspace(InputWorkspace=str(minR),OutputWorkspace=ws_append) for run in range(minR+1, maxR): if AnalysisDataService.doesExist(str(run)): @@ -72,7 +69,6 @@ class OptimizeCrystalPlacementByRun(PythonAlgorithm): num,err=IndexPeaks(PeaksWorkspace=ws_append,Tolerance=tolerance) logger.notice('After Optimization Number indexed: %s error: %s\n'%(num, err)) AnalysisDataService.remove(ws_group) - self.setProperty("OutputWorkspace", ws_append)