| 1 | #Fury - version for individual spectra |
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| 2 | import os.path as op |
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| 3 | |
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| 4 | prefix = 'irs' |
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| 5 | ana_dict = {'xtal' : 'PG', 'refl' : '002', 'code' : 1, 'efix' : 0.1} |
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| 6 | prog = 'FURY' |
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| 7 | |
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| 8 | inWS = 'In' |
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| 9 | s_load = LoadNexusProcessedDialog(OutputWorkspace=inWS,Message="Sample file") |
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| 10 | s_path = s_load.getPropertyValue("Filename") |
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| 11 | s_file = op.basename(s_path) |
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| 12 | print 'Sample file : ' + s_file |
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| 13 | tmp = mantid.getMatrixWorkspace(inWS) |
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| 14 | s_hist = tmp.getNumberHistograms() |
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| 15 | e_range = "-0.5,0.005,0.5" |
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| 16 | samWS = 'Sam' |
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| 17 | sqtWS = 'Sqt' |
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| 18 | sam_list = [] |
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| 19 | # loop over all histograms/groups |
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| 20 | for n in range(0, s_hist): |
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| 21 | n1=str(n) |
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| 22 | stmpWS = sqtWS + str(n) |
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| 23 | # get individual group into temp WS |
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| 24 | ExtractSingleSpectrum(inWS,samWS,n1) |
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| 25 | # rebin to constant delta-e |
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| 26 | Rebin(samWS,samWS,e_range) |
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| 27 | # perform FFT |
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| 28 | FFT(samWS, stmpWS) |
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| 29 | # get modulus - index 2 |
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| 30 | ExtractSingleSpectrum(stmpWS,stmpWS,2) |
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| 31 | sam_list.append(stmpWS) |
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| 32 | # if n == 0: |
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| 33 | # for first time, rename tempWS as output WS |
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| 34 | # RenameWorkspace(stmpWS,sqtWS) |
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| 35 | # else: |
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| 36 | # subsequent times, add tempWS to output WS |
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| 37 | # ConjoinWorkspaces(sqtWS,stmpWS) |
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| 38 | s_graph=plotSpectrum(sam_list,0) |
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| 39 | # delete temp WS |
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| 40 | mantid.deleteWorkspace(inWS) |
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| 41 | mantid.deleteWorkspace(samWS) |
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| 42 | |
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| 43 | r_load = LoadNexusProcessedDialog(OutputWorkspace=inWS,Message="Resolution file") |
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| 44 | r_path = r_load.getPropertyValue("Filename") |
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| 45 | r_file = op.basename(r_path) |
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| 46 | print 'Resolution file : ' + r_file |
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| 47 | tmp = mantid.getMatrixWorkspace(inWS) |
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| 48 | r_hist = tmp.getNumberHistograms() |
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| 49 | |
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| 50 | # check that no. groups are the same |
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| 51 | if s_hist == r_hist: |
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| 52 | resWS = 'Res' |
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| 53 | rqtWS = 'Rqt' |
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| 54 | iqtWS = 'Iqt' |
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| 55 | res_list = [] |
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| 56 | iqt_list = [] |
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| 57 | for n in range(0, s_hist): |
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| 58 | n1=str(n) |
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| 59 | rtmpWS = rqtWS + str(n) |
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| 60 | itmpWS = iqtWS + str(n) |
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| 61 | # get individual group into temp WS |
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| 62 | ExtractSingleSpectrum(inWS,resWS,n1) |
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| 63 | # rebin to constant delta-e |
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| 64 | Rebin(resWS,resWS,e_range) |
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| 65 | # perform FFT |
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| 66 | FFT(resWS, rtmpWS) |
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| 67 | # get modulus - index 2 |
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| 68 | ExtractSingleSpectrum(rtmpWS,rtmpWS,2) |
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| 69 | res_list.append(rtmpWS) |
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| 70 | Divide(stmpWS,rtmpWS,itmpWS) |
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| 71 | # if n == 0: |
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| 72 | # for first time, rename tempWS as output WS |
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| 73 | # RenameWorkspace(tmpWS,sqtWS) |
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| 74 | # else: |
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| 75 | # subsequent times, add tempWS to output WS |
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| 76 | # ConjoinWorkspaces(sqtWS,tmpWS) |
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| 77 | r_graph=plotSpectrum(res_list,0) |
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| 78 | |
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| 79 | else: |
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| 80 | # error message |
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| 81 | print 'Vanadium histograms (' +v_hist + ') not = Sample (' + s_hist +')' |
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| 82 | |
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