| 1 | from mantid.simpleapi import * |
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| 2 | import math |
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| 3 | import sys |
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| 4 | |
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| 5 | #=================== helper functions =============================== |
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| 6 | |
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| 7 | def create_cuboid_xml(xlength,ylength,zlength): |
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| 8 | xml = """<cuboid id="sample0"> |
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| 9 | <left-front-bottom-point x="%(xpt)f" y="-%(ypt)f" z="-%(zpt)f" /> |
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| 10 | <left-front-top-point x="%(xpt)f" y="-%(ypt)f" z="%(zpt)f" /> |
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| 11 | <left-back-bottom-point x="-%(xpt)f" y="-%(ypt)f" z="-%(zpt)f" /> |
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| 12 | <right-front-bottom-point x="%(xpt)f" y="%(ypt)f" z="-%(zpt)f" /> |
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| 13 | </cuboid> |
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| 14 | <algebra val="sample0" /> |
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| 15 | """ |
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| 16 | return xml % {"xpt": xlength/2.0,"ypt":ylength/2.0,"zpt":zlength/2.0} |
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| 17 | |
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| 18 | def plot_slice(in_ws, out_ws): |
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| 19 | BinMD(InputWorkspace=in_ws, OutputWorkspace=out_ws, |
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| 20 | AlignedDim0='[H,0,0], -12.000000, 9.000000, 100', |
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| 21 | AlignedDim1='[0,K,0], -6.000000, 7.000000, 100', |
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| 22 | AlignedDim2='[0,0,L], 0.000000, 6.000000, 1', |
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| 23 | AlignedDim3='DeltaE, 100.000000, 150.000000, 1') |
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| 24 | plotSlice(out_ws,colormax=180,normalization=0) |
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| 25 | |
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| 26 | #============================================================ |
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| 27 | |
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| 28 | ei = 300. |
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| 29 | bins = [-30,3,279] |
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| 30 | temperature = 6. |
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| 31 | chopper_speed = 600. |
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| 32 | |
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| 33 | # Oriented lattice & goniometer. |
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| 34 | alatt = 5.57 |
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| 35 | blatt = 5.51 |
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| 36 | clatt = 12.298 |
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| 37 | uvec = [9.700000e-03,9.800000e-03,9.996000e-01] |
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| 38 | vvec = [9.992000e-01,-3.460000e-02,-4.580000e-02] |
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| 39 | |
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| 40 | omega = 0.0 |
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| 41 | alpha = 0.0 |
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| 42 | beta = 0.0 |
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| 43 | gamma = 0.0 |
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| 44 | |
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| 45 | # sample dimensions |
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| 46 | sx = 0.05 # Perp |
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| 47 | sy = 0.025 # Up direction |
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| 48 | sz = 0.04 # Beam direction |
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| 49 | |
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| 50 | # Crystal mosaic |
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| 51 | eta_sig = 4 |
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| 52 | |
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| 53 | data_dir = '/data/Software/VATES_testing/Sr122_tests/' |
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| 54 | |
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| 55 | #Use Iliad processed workspace for simulation |
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| 56 | |
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| 57 | ## |
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| 58 | ## Required log entries, can be taken from real ones by placing an instrument parameter of the same |
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| 59 | ## name pointing to the log name |
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| 60 | ## |
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| 61 | AddSampleLog(Workspace='w1', LogName='Ei',LogText=str(ei), LogType="Number") |
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| 62 | AddSampleLog(Workspace='w1', LogName='temperature_log',LogText=str(temperature), LogType="Number") |
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| 63 | AddSampleLog(Workspace='w1', LogName='chopper_speed_log',LogText=str(chopper_speed), LogType="Number") |
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| 64 | AddSampleLog(Workspace='w1', LogName='eta_sigma',LogText=str(eta_sig), LogType="Number") |
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| 65 | |
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| 66 | ## |
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| 67 | ## Sample shape |
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| 68 | ## |
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| 69 | CreateSampleShape(InputWorkspace='w1', ShapeXML=create_cuboid_xml(sx,sy,sz)) |
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| 70 | |
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| 71 | ## |
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| 72 | ## Chopper & Moderator models. |
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| 73 | ## |
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| 74 | CreateModeratorModel(Workspace='w1',ModelType='IkedaCarpenterModerator', |
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| 75 | Parameters="TiltAngle=32,TauF=2.7,TauS=0,R=0") |
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| 76 | CreateChopperModel(Workspace='w1',ModelType='FermiChopperModel', |
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| 77 | Parameters="AngularVelocity=chopper_speed_log,ChopperRadius=0.049,SlitThickness=0.0023,SlitRadius=1.3,Ei=Ei,JitterSigma=0.0") |
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| 78 | |
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| 79 | ## |
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| 80 | ## UB matrix |
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| 81 | ## |
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| 82 | SetUB(Workspace='w1',a=alatt,b=blatt,c=clatt,u=uvec,v=vvec) |
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| 83 | |
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| 84 | ## |
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| 85 | ## Sample rotation. Simulate 1 run at zero degrees psi |
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| 86 | ## |
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| 87 | |
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| 88 | psi = 0.0 |
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| 89 | AddSampleLog(Workspace='w1',LogName='psi',LogText=str(psi),LogType='Number') |
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| 90 | SetGoniometer(Workspace='w1',Axis0="psi,0,1,0,1") |
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| 91 | |
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| 92 | # Create the MD workspace |
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| 93 | qscale = 'Q in A^-1' |
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| 94 | sr122_md = ConvertToMD(InputWorkspace='w1', QDimensions="Q3D", QConversionScales=qscale,SplitInto=[3], SplitThreshold=100, |
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| 95 | MinValues="-15,-15,-15,-30", MaxValues="25,25,25,279",OverwriteExisting=True) |
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| 96 | |
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| 97 | #Modified version of the simulation, with greater control of which contributions to the resolution model we have: |
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| 98 | resol_model = "TobyFitResolutionModel" |
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| 99 | fg_model = "Strontium122" |
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| 100 | |
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| 101 | |
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| 102 | fg_parameters = "Seff=0.7,J1a=38.7,J1b=-5,J2=27.3,SJc=10,GammaSlope=0.08,MultEps=0,TwinType=1,FormFactorIon=0" |
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| 103 | xsec_model = "Strontium122" |
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| 104 | # Just forground model, no resolution convolution. Should reproduce exactly what Tobyfit does... |
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| 105 | #res_parameters = "MCLoopMin=100,MCLoopMax=100,MCType=1,ForegroundOnly=1" |
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| 106 | #parameters = res_parameters + "," + fg_parameters |
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| 107 | |
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| 108 | |
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| 109 | |
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| 110 | # Sequentially work through the invidiual contributions to the resolution: |
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| 111 | res_parameters = "MCLoopMin=100,MCLoopMax=100,MCType=1,Moderator=1,Chopper=0,ChopperJitter=0,Aperture=0,SampleVolume=0,DetectorDepth=0,DetectorArea=0,DetectionTime=0,CrystalMosaic=0" |
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| 112 | parameters = res_parameters + "," + fg_parameters |
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| 113 | simulated_mod= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 114 | ResolutionFunction=resol_model, |
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| 115 | ForegroundModel=xsec_model, |
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| 116 | Parameters=parameters) |
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| 117 | |
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| 118 | res_parameters = "MCLoopMin=100,MCLoopMax=100,MCType=1,Moderator=0,Chopper=0,ChopperJitter=0,Aperture=1,SampleVolume=0,DetectorDepth=0,DetectorArea=0,DetectionTime=0,CrystalMosaic=0" |
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| 119 | parameters = res_parameters + "," + fg_parameters |
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| 120 | simulated_aperture= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 121 | ResolutionFunction=resol_model, |
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| 122 | ForegroundModel=xsec_model, |
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| 123 | Parameters=parameters) |
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| 124 | |
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| 125 | res_parameters = "MCLoopMin=100,MCLoopMax=100,MCType=1,Moderator=0,Chopper=1,ChopperJitter=0,Aperture=0,SampleVolume=0,DetectorDepth=0,DetectorArea=0,DetectionTime=0,CrystalMosaic=0" |
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| 126 | parameters = res_parameters + "," + fg_parameters |
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| 127 | simulated_chopper= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 128 | ResolutionFunction=resol_model, |
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| 129 | ForegroundModel=xsec_model, |
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| 130 | Parameters=parameters) |
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| 131 | |
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| 132 | res_parameters = "MCLoopMin=100,MCLoopMax=100,MCType=1,Moderator=0,Chopper=0,ChopperJitter=1,Aperture=0,SampleVolume=0,DetectorDepth=0,DetectorArea=0,DetectionTime=0,CrystalMosaic=0" |
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| 133 | parameters = res_parameters + "," + fg_parameters |
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| 134 | simulated_jitter= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 135 | ResolutionFunction=resol_model, |
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| 136 | ForegroundModel=xsec_model, |
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| 137 | Parameters=parameters) |
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| 138 | |
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| 139 | res_parameters = "MCLoopMin=100,MCLoopMax=100,MCType=1,Moderator=0,Chopper=0,ChopperJitter=0,Aperture=0,SampleVolume=1,DetectorDepth=0,DetectorArea=0,DetectionTime=0,CrystalMosaic=0" |
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| 140 | parameters = res_parameters + "," + fg_parameters |
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| 141 | simulated_vol= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 142 | ResolutionFunction=resol_model, |
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| 143 | ForegroundModel=xsec_model, |
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| 144 | Parameters=parameters) |
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| 145 | |
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| 146 | res_parameters = "MCLoopMin=100,MCLoopMax=100,MCType=1,Moderator=0,Chopper=0,ChopperJitter=0,Aperture=0,SampleVolume=0,DetectorDepth=0,DetectorArea=1,DetectionTime=0,CrystalMosaic=0" |
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| 147 | parameters = res_parameters + "," + fg_parameters |
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| 148 | simulated_area= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 149 | ResolutionFunction=resol_model, |
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| 150 | ForegroundModel=xsec_model, |
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| 151 | Parameters=parameters) |
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| 152 | |
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| 153 | res_parameters = "MCLoopMin=100,MCLoopMax=100,MCType=1,Moderator=0,Chopper=0,ChopperJitter=0,Aperture=0,SampleVolume=0,DetectorDepth=1,DetectorArea=0,DetectionTime=0,CrystalMosaic=0" |
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| 154 | parameters = res_parameters + "," + fg_parameters |
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| 155 | simulated_depth= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 156 | ResolutionFunction=resol_model, |
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| 157 | ForegroundModel=xsec_model, |
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| 158 | Parameters=parameters) |
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| 159 | |
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| 160 | res_parameters = "MCLoopMin=100,MCLoopMax=100,MCType=1,Moderator=0,Chopper=0,ChopperJitter=0,Aperture=0,SampleVolume=0,DetectorDepth=0,DetectorArea=0,DetectionTime=1,CrystalMosaic=0" |
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| 161 | parameters = res_parameters + "," + fg_parameters |
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| 162 | simulated_time= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 163 | ResolutionFunction=resol_model, |
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| 164 | ForegroundModel=xsec_model, |
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| 165 | Parameters=parameters) |
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| 166 | |
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| 167 | res_parameters = "MCLoopMin=100,MCLoopMax=100,MCType=1,Moderator=0,Chopper=0,ChopperJitter=0,Aperture=0,SampleVolume=0,DetectorDepth=0,DetectorArea=0,DetectionTime=0,CrystalMosaic=1" |
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| 168 | parameters = res_parameters + "," + fg_parameters |
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| 169 | simulated_mosaic= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 170 | ResolutionFunction=resol_model, |
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| 171 | ForegroundModel=xsec_model, |
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| 172 | Parameters=parameters) |
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| 173 | |
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