| 1 | ########################################################################### |
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| 2 | ## Sample script to build Mantid's combined MD workspace ## |
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| 3 | ## equivalent of Horace sqw object ## |
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| 4 | ########################################################################### |
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| 5 | data_path=os.path.dirname(os.path.realpath(__file__)) |
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| 6 | config.appendDataSearchDir(data_path) |
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| 7 | |
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| 8 | config['defaultsave.directory']=data_path |
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| 9 | save_dir = config.getString('defaultsave.directory') |
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| 10 | print "Data will be saved into: ",save_dir |
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| 11 | |
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| 12 | # |
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| 13 | print 'Start converting \n' |
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| 14 | # |
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| 15 | preprocessedDetectorsWSName='preprDetMAPS' |
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| 16 | # List of the comma-separated file names to merge |
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| 17 | MDWS_FilesList=''; |
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| 18 | |
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| 19 | #efix=34.96; |
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| 20 | |
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| 21 | # ConvertToMD parameters defined out of the loop |
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| 22 | pars = dict(); |
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| 23 | pars['InputWorkspace']='' |
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| 24 | pars['QDimensions']='Q3D' |
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| 25 | pars['dEAnalysisMode']='Direct' |
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| 26 | pars['Q3DFrames']='HKL' |
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| 27 | pars['QConversionScales']='HKL' |
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| 28 | pars['PreprocDetectorsWS']=preprocessedDetectorsWSName; |
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| 29 | pars['MinValues']='-3,-3,-3,-2' |
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| 30 | pars['MaxValues']='3,3,3,23' |
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| 31 | pars['SplitInto']='50,50,50,60' |
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| 32 | pars['OverwriteExisting']=False |
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| 33 | # Currently works only with 1 |
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| 34 | pars['MaxRecursionDepth']=1 |
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| 35 | pars['MinRecursionDepth']=1 |
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| 36 | pars['TopLevelSplitting']=1 |
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| 37 | |
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| 38 | nFiles = 2 |
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| 39 | print " processing {0} spe files".format(nFiles) |
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| 40 | |
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| 41 | for n in xrange(0,nFiles): |
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| 42 | source = 'MAP0'+str(5935+n)+'_4to1_033.nxspe'; |
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| 43 | target = 'MDMAP'+str(5935+n)+'_4to1_033.nxs'; |
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| 44 | #while not(os.path.exists(save_dir+source)): |
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| 45 | |
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| 46 | if not(os.path.exists(save_dir+target)): |
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| 47 | print 'Converting ',source |
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| 48 | cur_ws=LoadNXSPE(Filename=source) |
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| 49 | |
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| 50 | # save disk space, remove source file |
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| 51 | # (it should be stored somewhere) in archive |
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| 52 | #os.remove(source); |
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| 53 | |
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| 54 | # Add incident energy log. May be not necessary for NXSPE or nxs files |
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| 55 | #AddSampleLog(Workspace=cur_ws,LogName='Ei',LogText=str(efix),LogType='Number') |
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| 56 | # Add rotation angle log. May be not necessary for NXSPE or nxs files |
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| 57 | #AddSampleLog(Workspace=cur_ws,LogName='Psi',LogText=str(psi[n])+'.',LogType='Number') |
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| 58 | |
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| 59 | # Set projection matrix |
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| 60 | SetUB(Workspace=cur_ws,a=4.2275,b=4.2275,c=4.2275,u='1,1,0',v='0,0,1') |
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| 61 | # rotated by proper number of degrees around rotation axis, which in usual Horace set-up is parallel to second projection axis |
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| 62 | SetGoniometer(Workspace=cur_ws,Axis0='Psi,0,1,0,1') |
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| 63 | print "Goniometer angles: ",cur_ws.getRun().getGoniometer().getEulerAngles('XYZ') |
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| 64 | |
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| 65 | |
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| 66 | # set up source workspace |
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| 67 | pars['InputWorkspace']=cur_ws; |
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| 68 | # Convert To MD |
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| 69 | target_MDws=ConvertToMD(**pars) |
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| 70 | |
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| 71 | # Save data for future usage |
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| 72 | SaveMD(target_MDws,Filename=target ); |
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| 73 | # Clear memory |
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| 74 | DeleteWorkspace(target_MDws); |
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| 75 | DeleteWorkspace(cur_ws); |
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| 76 | |
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| 77 | if (len(MDWS_FilesList) == 0): |
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| 78 | MDWS_FilesList = target; |
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| 79 | else: |
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| 80 | MDWS_FilesList=MDWS_FilesList+','+target; |
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| 81 | |
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| 82 | |
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| 83 | ws4D = MergeMDFiles(MDWS_FilesList,OutputFilename='RbMnF3_test.nxs', Parallel='0'); |
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| 84 | |
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| 85 | ###################################################################### |
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| 86 | |
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| 87 | |
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