| 1 | try: |
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| 2 | from mantidplottests import screenshot |
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| 3 | except ImportError: |
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| 4 | def screenshot(*args,**kwargs): |
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| 5 | pass |
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| 6 | |
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| 7 | from mantid.simpleapi import * |
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| 8 | import math |
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| 9 | import sys |
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| 10 | |
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| 11 | #=================== helper functions =============================== |
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| 12 | |
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| 13 | def create_cuboid_xml(xlength,ylength,zlength): |
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| 14 | xml = """<cuboid id="sample0"> |
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| 15 | <left-front-bottom-point x="%(xpt)f" y="-%(ypt)f" z="-%(zpt)f" /> |
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| 16 | <left-front-top-point x="%(xpt)f" y="-%(ypt)f" z="%(zpt)f" /> |
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| 17 | <left-back-bottom-point x="-%(xpt)f" y="-%(ypt)f" z="-%(zpt)f" /> |
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| 18 | <right-front-bottom-point x="%(xpt)f" y="%(ypt)f" z="-%(zpt)f" /> |
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| 19 | </cuboid> |
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| 20 | <algebra val="sample0" /> |
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| 21 | """ |
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| 22 | return xml % {"xpt": xlength/2.0,"ypt":ylength/2.0,"zpt":zlength/2.0} |
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| 23 | |
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| 24 | def plot_slice(in_ws, out_ws): |
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| 25 | BinMD(InputWorkspace=in_ws, OutputWorkspace=out_ws, |
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| 26 | AlignedDim0='[H,0,0], -12.000000, 9.000000, 100', |
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| 27 | AlignedDim1='[0,K,0], -6.000000, 7.000000, 100', |
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| 28 | AlignedDim2='[0,0,L], 0.000000, 6.000000, 1', |
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| 29 | AlignedDim3='DeltaE, 100.000000, 150.000000, 1') |
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| 30 | plotSlice(out_ws,colormax=180,normalization=0) |
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| 31 | |
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| 32 | #============================================================ |
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| 33 | |
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| 34 | ei = 300. |
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| 35 | bins = [-30,3,279] |
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| 36 | temperature = 6. |
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| 37 | chopper_speed = 600. |
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| 38 | |
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| 39 | # Oriented lattice & goniometer. |
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| 40 | alatt = 5.57 |
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| 41 | blatt = 5.51 |
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| 42 | clatt = 12.298 |
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| 43 | uvec = [9.700000e-03,9.800000e-03,9.996000e-01] |
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| 44 | vvec = [9.992000e-01,-3.460000e-02,-4.580000e-02] |
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| 45 | |
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| 46 | omega = 0.0 |
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| 47 | alpha = 0.0 |
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| 48 | beta = 0.0 |
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| 49 | gamma = 0.0 |
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| 50 | |
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| 51 | # sample dimensions |
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| 52 | sx = 0.05 # Perp |
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| 53 | sy = 0.025 # Up direction |
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| 54 | sz = 0.04 # Beam direction |
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| 55 | |
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| 56 | # Crystal mosaic |
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| 57 | eta_sig = 4 |
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| 58 | |
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| 59 | data_dir = '/data/Software/VATES_testing/Sr122_tests/' |
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| 60 | |
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| 61 | |
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| 62 | #Use Iliad processed workspace for simulation |
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| 63 | # Workspaces from Iliad have had their source component moved to redefine the location of t0 to the first monitor |
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| 64 | # It needs to be put back in the proper place here |
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| 65 | base_moderator = mtd['w1'].getInstrument().getBaseInstrument().getSource() |
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| 66 | mod_pos = base_moderator.getPos() |
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| 67 | MoveInstrumentComponent('w1',ComponentName=base_moderator.getName(),X=mod_pos.getX(), |
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| 68 | Y=mod_pos.getY(),Z=mod_pos.getZ(),RelativePosition=False) |
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| 69 | |
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| 70 | |
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| 71 | ## |
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| 72 | ## Required log entries, can be taken from real ones by placing an instrument parameter of the same |
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| 73 | ## name pointing to the log name |
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| 74 | ## |
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| 75 | AddSampleLog(Workspace='w1', LogName='Ei',LogText=str(ei), LogType="Number") |
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| 76 | AddSampleLog(Workspace='w1', LogName='temperature_log',LogText=str(temperature), LogType="Number") |
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| 77 | AddSampleLog(Workspace='w1', LogName='chopper_speed_log',LogText=str(chopper_speed), LogType="Number") |
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| 78 | AddSampleLog(Workspace='w1', LogName='eta_sigma',LogText=str(eta_sig), LogType="Number") |
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| 79 | |
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| 80 | ## |
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| 81 | ## Sample shape |
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| 82 | ## |
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| 83 | CreateSampleShape(InputWorkspace='w1', ShapeXML=create_cuboid_xml(sx,sy,sz)) |
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| 84 | |
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| 85 | ## |
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| 86 | ## Chopper & Moderator models. |
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| 87 | ## |
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| 88 | CreateModeratorModel(Workspace='w1',ModelType='IkedaCarpenterModerator', |
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| 89 | Parameters="TiltAngle=32,TauF=2.7,TauS=0,R=0") |
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| 90 | CreateChopperModel(Workspace='w1',ModelType='FermiChopperModel', |
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| 91 | Parameters="AngularVelocity=chopper_speed_log,ChopperRadius=0.049,SlitThickness=0.0023,SlitRadius=1.3,Ei=Ei,JitterSigma=0.0") |
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| 92 | |
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| 93 | ## |
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| 94 | ## UB matrix |
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| 95 | ## |
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| 96 | SetUB(Workspace='w1',a=alatt,b=blatt,c=clatt,u=uvec,v=vvec) |
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| 97 | |
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| 98 | ## |
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| 99 | ## Sample rotation. Simulate 1 run at zero degrees psi |
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| 100 | ## |
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| 101 | |
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| 102 | psi = 0.0 |
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| 103 | AddSampleLog(Workspace='w1',LogName='psi',LogText=str(psi),LogType='Number') |
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| 104 | SetGoniometer(Workspace='w1',Axis0="psi,0,1,0,1") |
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| 105 | |
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| 106 | # Create the MD workspace |
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| 107 | qscale = 'Q in A^-1' |
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| 108 | sr122_md = ConvertToMD(InputWorkspace='w1', QDimensions="Q3D", QConversionScales=qscale,SplitInto=[3], SplitThreshold=100, |
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| 109 | MinValues="-15,-15,-15,-30", MaxValues="25,25,25,279",OverwriteExisting=True) |
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| 110 | |
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| 111 | #Modified version of the simulation, with greater control of which contributions to the resolution model we have: |
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| 112 | resol_model = "TobyFitResolutionModel" |
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| 113 | fg_model = "Strontium122" |
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| 114 | |
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| 115 | |
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| 116 | 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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| 117 | xsec_model = "Strontium122" |
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| 118 | # Just forground model, no resolution convolution. Should reproduce exactly what Tobyfit does... |
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| 119 | # Sequentially work through the invidiual contributions to the resolution: |
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| 120 | res_parameters = "MCLoopMin=10,MCLoopMax=10,MCType=1,ForegroundOnly=1" |
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| 121 | parameters = res_parameters + "," + fg_parameters |
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| 122 | |
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| 123 | # Sequentially work through the invidiual contributions to the resolution: |
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| 124 | |
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| 125 | ## Moderator ## |
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| 126 | res_parameters = "MCLoopMin=10,MCLoopMax=10,MCType=1,Moderator=1,Chopper=0,ChopperJitter=0,Aperture=0,SampleVolume=0,DetectorDepth=0,DetectorArea=0,DetectionTime=0,CrystalMosaic=0" |
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| 127 | parameters = res_parameters + "," + fg_parameters |
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| 128 | simulated_mod= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 129 | ResolutionFunction=resol_model, |
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| 130 | ForegroundModel=xsec_model,Parameters=parameters) |
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| 131 | BinMD(InputWorkspace="simulated_mod", OutputWorkspace="simulated_mod_cut", |
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| 132 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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| 133 | AlignedDim1='[0,K,0], -1, 1, 41', |
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| 134 | AlignedDim2='[0,0,L], -100, 100, 1', |
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| 135 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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| 136 | mt_mod_table=QueryMDWorkspace('simulated_mod_cut') |
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| 137 | mt_mod_sim=ConvertTableToMatrixWorkspace('mt_mod_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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| 138 | |
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| 139 | |
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| 140 | ## Sample Volume ## |
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| 141 | res_parameters = "MCLoopMin=10,MCLoopMax=10,MCType=1,Moderator=0,Chopper=0,ChopperJitter=0,Aperture=0,SampleVolume=1,DetectorDepth=0,DetectorArea=0,DetectionTime=0,CrystalMosaic=0" |
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| 142 | parameters = res_parameters + "," + fg_parameters |
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| 143 | simulated_vol= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 144 | ResolutionFunction=resol_model, |
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| 145 | ForegroundModel=xsec_model, |
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| 146 | Parameters=parameters) |
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| 147 | |
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| 148 | BinMD(InputWorkspace="simulated_vol", OutputWorkspace="simulated_vol_cut", |
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| 149 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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| 150 | AlignedDim1='[0,K,0], -1, 1, 41', |
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| 151 | AlignedDim2='[0,0,L], -100, 100, 1', |
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| 152 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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| 153 | mt_volume_table=QueryMDWorkspace('simulated_vol_cut') |
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| 154 | mt_volume_sim=ConvertTableToMatrixWorkspace('mt_volume_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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| 155 | |
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| 156 | ## Mosaic ## |
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| 157 | res_parameters = "MCLoopMin=10,MCLoopMax=10,MCType=1,Moderator=0,Chopper=0,ChopperJitter=0,Aperture=0,SampleVolume=0,DetectorDepth=0,DetectorArea=0,DetectionTime=0,CrystalMosaic=1" |
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| 158 | parameters = res_parameters + "," + fg_parameters |
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| 159 | simulated_mosaic= SimulateResolutionConvolvedModel(InputWorkspace="sr122_md", |
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| 160 | ResolutionFunction=resol_model, |
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| 161 | ForegroundModel=xsec_model, |
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| 162 | Parameters=parameters) |
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| 163 | |
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| 164 | BinMD(InputWorkspace="simulated_mosaic", OutputWorkspace="simulated_mosaic_cut", |
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| 165 | AlignedDim0='[H,0,0], 1, 1.3, 1', |
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| 166 | AlignedDim1='[0,K,0], -1, 1, 41', |
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| 167 | AlignedDim2='[0,0,L], -100, 100, 1', |
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| 168 | AlignedDim3='DeltaE, 65, 75.000000, 1') |
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| 169 | mt_mosaic_table=QueryMDWorkspace('simulated_mosaic_cut') |
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| 170 | mt_mosaic_sim=ConvertTableToMatrixWorkspace('mt_mosaic_table',ColumnX='[0,K,0]/A^-1',ColumnY='Signal/none') |
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