diff --git a/Framework/PythonInterface/plugins/algorithms/OptimizeCrystalPlacementByRun.py b/Framework/PythonInterface/plugins/algorithms/OptimizeCrystalPlacementByRun.py index 5a2907267b427427245e92a88b35fd2383294cb1..6b65588d59dd7d064615d961eb19dd8762eb7e4c 100644 --- a/Framework/PythonInterface/plugins/algorithms/OptimizeCrystalPlacementByRun.py +++ b/Framework/PythonInterface/plugins/algorithms/OptimizeCrystalPlacementByRun.py @@ -5,7 +5,6 @@ # & Institut Laue - Langevin # SPDX - License - Identifier: GPL - 3.0 + #pylint: disable=no-init -from __future__ import (absolute_import, division, print_function) from mantid.api import PythonAlgorithm, AlgorithmFactory, ITableWorkspaceProperty, WorkspaceFactory from mantid.kernel import Direction @@ -42,33 +41,37 @@ class OptimizeCrystalPlacementByRun(PythonAlgorithm): if not ws.sample().hasOrientedLattice(): FindUBUsingIndexedPeaks(PeaksWorkspace=ws,Tolerance=tolerance) num,err=IndexPeaks(PeaksWorkspace=ws,Tolerance=tolerance) - print('Initial Number indexed: %s error: %s\n'%(num, err)) + logger.notice('Initial Number indexed: %s error: %s\n'%(num, err)) stats = StatisticsOfTableWorkspace(InputWorkspace=ws) stat_col = stats.column('Statistic') 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: - AnalysisDataService.remove( str(run)) + AnalysisDataService.remove(str(run)) 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) CloneWorkspace(InputWorkspace=str(minR),OutputWorkspace=ws_append) + AnalysisDataService.remove(str(minR)) for run in range(minR+1, maxR): - if AnalysisDataService.doesExist( str(run)): + if AnalysisDataService.doesExist(str(run)): CombinePeaksWorkspaces(LHSWorkspace=ws_append, RHSWorkspace=str(run),OutputWorkspace=ws_append) - print('Optimized %s sample position: %s\n'%(str(run),mtd[str(run)].getPeak(0).getSamplePos())) + logger.notice('Optimized %s sample position: %s\n'%(str(run),mtd[str(run)].getPeak(0).getSamplePos())) AnalysisDataService.remove( str(run)) num,err=IndexPeaks(PeaksWorkspace=ws_append,Tolerance=tolerance) - print('After Optimization Number indexed: %s error: %s\n'%(num, err)) + logger.notice('After Optimization Number indexed: %s error: %s\n'%(num, err)) AnalysisDataService.remove(ws_group) self.setProperty("OutputWorkspace", ws_append)