Changeset 3157 for trunk/GSASIIfiles.py


Ignore:
Timestamp:
Nov 21, 2017 1:52:20 PM (5 years ago)
Author:
vondreele
Message:

add Lorentzian term 'Z' to CW profile instrument parameters - constant term
change sig-q function to d*sig-q from sig-q/d2 for TOF profile instrument parameters
add filter to SumDialog? for PWDR & IMG data

File:
1 edited

Legend:

Unmodified
Added
Removed

  • trunk/GSASIIfiles.py

    r3136 r3157  
    9191             sfloat(s[20:30])/100.,sfloat(s[55:65]),sfloat(s[40:50])) #get lam1, lam2, zero, pola & ratio
    9292        if not v[1]:
    93             names = ['Type','Lam','Zero','Polariz.','U','V','W','X','Y','SH/L','Azimuth']
     93            names = ['Type','Lam','Zero','Polariz.','U','V','W','X','Y','Z','SH/L','Azimuth']
    9494            v = (v[0],v[2],v[4])
    95             codes = [0,0,0,0]
     95            codes = [0,0,0,0,0]
    9696            rd.Sample.update({'Type':'Debye-Scherrer','Absorption':[0.,False],'DisplaceX':[0.,False],'DisplaceY':[0.,False]})
    9797        else:
    98             names = ['Type','Lam1','Lam2','Zero','I(L2)/I(L1)','Polariz.','U','V','W','X','Y','SH/L','Azimuth']
    99             codes = [0,0,0,0,0,0]
     98            names = ['Type','Lam1','Lam2','Zero','I(L2)/I(L1)','Polariz.','U','V','W','X','Y','Z','SH/L','Azimuth']
     99            codes = [0,0,0,0,0,0,0]
    100100            rd.Sample.update({'Type':'Bragg-Brentano','Shift':[0.,False],'Transparency':[0.,False],
    101101                'SurfRoughA':[0.,False],'SurfRoughB':[0.,False]})
    … …  
    108108            v = Iparm['INS  1PRCF 2'].split()
    109109            if v1[0] == 3:
    110                 data.extend([float(v[0]),float(v[1]),float(v[2])+float(v[3],azm)])  #get LX, LY, S+H/L & azimuth
     110                data.extend([float(v[0]),float(v[1]),0.0,float(v[2])+float(v[3],azm)])  #get LX, LY, Z, S+H/L & azimuth
    111111            else:
    112                 data.extend([0.0,0.0,0.002,azm])                                      #OK defaults if fxn #3 not 1st in iprm file
     112                data.extend([0.0,0.0,0.0,0.002,azm])                                      #OK defaults if fxn #3 not 1st in iprm file
    113113        else:
    114114            v1 = Iparm['INS  1PRCF1 '].split()
    … …  
    118118            v = Iparm['INS  1PRCF12'].split()
    119119            if v1[0] == 3:
    120                 data.extend([float(v[0]),float(v[1]),float(v[2])+float(v[3],azm)])  #get LX, LY, S+H/L & azimuth
     120                data.extend([float(v[0]),float(v[1]),0.0,float(v[2])+float(v[3],azm)])  #get LX, LY, Z, S+H/L & azimuth
    121121            else:
    122                 data.extend([0.0,0.0,0.002,azm])                                      #OK defaults if fxn #3 not 1st in iprm file
     122                data.extend([0.0,0.0,0.0,0.002,azm])                                      #OK defaults if fxn #3 not 1st in iprm file
    123123        codes.extend([0,0,0,0,0,0,0])
    124124        Iparm1 = makeInstDict(names,data,codes)
    … …  
    128128    elif 'T' in DataType:
    129129        names = ['Type','fltPath','2-theta','difC','difA', 'difB','Zero','alpha','beta-0','beta-1',
    130             'beta-q','sig-0','sig-1','sig-2','sig-q', 'X','Y','Azimuth',]
    131         codes = [0,0,0,0,0, 0,0,0,0,0, 0,0,0,0,0, 0,0,0,]
     130            'beta-q','sig-0','sig-1','sig-2','sig-q', 'X','Y','Z','Azimuth',]
     131        codes = [0,0,0,0,0, 0,0,0,0,0, 0,0,0,0,0, 0,0,0,0,]
    132132        azm = 0.
    133133        if 'INS  1DETAZM' in Iparm:
    … …  
    153153                data.extend([sfloat(s[1]),sfloat(s[2]),sfloat(s[3])]) #alpha, beta-0, beta-1
    154154                s = Iparm['INS  1PRCF 2'].split()
    155                 data.extend([0.0,0.0,sfloat(s[1]),sfloat(s[2]),0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y
     155                data.extend([0.0,0.0,sfloat(s[1]),sfloat(s[2]),0.0,0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y, Z
    156156            elif abs(pfType) in [3,4,5]:
    157157                data.extend([sfloat(s[0]),sfloat(s[1]),sfloat(s[2])]) #alpha, beta-0, beta-1
    158158                if abs(pfType) == 4:
    159                     data.extend([0.0,0.0,sfloat(s[3]),0.0,0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y
     159                    data.extend([0.0,0.0,sfloat(s[3]),0.0,0.0,0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y, Z
    160160                else:
    161161                    s = Iparm['INS  1PRCF 2'].split()
    162                     data.extend([0.0,0.0,sfloat(s[0]),sfloat(s[1]),0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y
     162                    data.extend([0.0,0.0,sfloat(s[0]),sfloat(s[1]),0.0,0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y, Z
    163163            elif abs(pfType) == 2:
    164164                data.extend([sfloat(s[1]),0.0,1./sfloat(s[3])]) #alpha, beta-0, beta-1
    165                 data.extend([0.0,0.0,sfloat(s[1]),0.0,0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y
     165                data.extend([0.0,0.0,sfloat(s[1]),0.0,0.0,0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y, Z
    166166        else:
    167167            s = Iparm['INS  1PRCF1 '].split()
    … …  
    171171                data.extend([sfloat(s[1]),sfloat(s[2]),sfloat(s[3])]) #alpha, beta-0, beta-1
    172172                s = Iparm['INS  1PRCF12'].split()
    173                 data.extend([0.0,0.0,sfloat(s[1]),sfloat(s[2]),0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y
     173                data.extend([0.0,0.0,sfloat(s[1]),sfloat(s[2]),0.0,0.0,0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y, Z
    174174            elif abs(pfType) in [3,4,5]:
    175175                data.extend([sfloat(s[0]),sfloat(s[1]),sfloat(s[2])]) #alpha, beta-0, beta-1
    176176                if abs(pfType) == 4:
    177                     data.extend([0.0,0.0,sfloat(s[3]),0.0,0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y
     177                    data.extend([0.0,0.0,sfloat(s[3]),0.0,0.0,0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y, Z
    178178                else:
    179179                    s = Iparm['INS  1PRCF12'].split()
    180                     data.extend([0.0,0.0,sfloat(s[0]),sfloat(s[1]),0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y
     180                    data.extend([0.0,0.0,sfloat(s[0]),sfloat(s[1]),0.0,0.0,0.0,0.0,azm])    #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y, Z
    181181        Inst1 = makeInstDict(names,data,codes)
    182182        Inst1['Bank'] = [Bank,Bank,0]
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