Changeset 4915 for trunk/GSASIIpwd.py


Ignore:
Timestamp:
May 26, 2021 7:43:09 AM (5 months ago)
Author:
vondreele
Message:

add some doc strings for profile functions in G2pwd
rename getPowderProfileDervMP as getPowderProfileDerv since it is more generally used than just multiprocessing

File:
1 edited

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  • trunk/GSASIIpwd.py

    r4880 r4915  
    11261126    return dydb,dyddb,dydpk,dydfb
    11271127
    1128 #use old fortran routine
     1128#### Using old gsas fortran routines for powder peak shapes & derivatives
    11291129def getFCJVoigt3(pos,sig,gam,shl,xdata):
    11301130    '''Compute the Finger-Cox-Jepcoat modified Pseudo-Voigt function for a
     
    11321132    '''
    11331133    Df = pyd.pypsvfcj(len(xdata),xdata-pos,pos,sig,gam,shl)
    1134 #    Df = pyd.pypsvfcjo(len(xdata),xdata-pos,pos,sig,gam,shl)
    11351134    Df /= np.sum(Df)
    11361135    return Df
     
    11411140    '''
    11421141    Df,dFdp,dFds,dFdg,dFdsh = pyd.pydpsvfcj(len(xdata),xdata-pos,pos,sig,gam,shl)
    1143 #    Df,dFdp,dFds,dFdg,dFdsh = pyd.pydpsvfcjo(len(xdata),xdata-pos,pos,sig,gam,shl)
    11441142    return Df,dFdp,dFds,dFdg,dFdsh
    11451143
    11461144def getPsVoigt(pos,sig,gam,xdata):
    1147     'needs a doc string'
     1145    '''Compute the simple Pseudo-Voigt function for a
     1146    small angle Bragg peak in external Fortran routine
     1147    '''
    11481148   
    11491149    Df = pyd.pypsvoigt(len(xdata),xdata-pos,sig,gam)
     
    11521152
    11531153def getdPsVoigt(pos,sig,gam,xdata):
    1154     'needs a doc string'
     1154    '''Compute the simple Pseudo-Voigt function derivatives for a
     1155    small angle Bragg peak peak in external Fortran routine
     1156    '''
    11551157   
    11561158    Df,dFdp,dFds,dFdg = pyd.pydpsvoigt(len(xdata),xdata-pos,sig,gam)
     
    11581160
    11591161def getEpsVoigt(pos,alp,bet,sig,gam,xdata):
    1160     'needs a doc string'
     1162    '''Compute the double exponential Pseudo-Voigt convolution function for a
     1163    neutron TOF & CW pink peak in external Fortran routine
     1164    '''
     1165   
    11611166    Df = pyd.pyepsvoigt(len(xdata),xdata-pos,alp,bet,sig,gam)
    11621167    Df /= np.sum(Df)
     
    11641169   
    11651170def getdEpsVoigt(pos,alp,bet,sig,gam,xdata):
    1166     'needs a doc string'
     1171    '''Compute the double exponential Pseudo-Voigt convolution function derivatives for a
     1172    neutron TOF & CW pink peak in external Fortran routine
     1173    '''
     1174   
    11671175    Df,dFdp,dFda,dFdb,dFds,dFdg = pyd.pydepsvoigt(len(xdata),xdata-pos,alp,bet,sig,gam)
    11681176    return Df,dFdp,dFda,dFdb,dFds,dFdg   
    11691177
    11701178def ellipseSize(H,Sij,GB):
    1171     'Implements r=1/sqrt(sum((1/S)*(q.v)^2) per note from Alexander Brady'
     1179    '''Implements r=1/sqrt(sum((1/S)*(q.v)^2) per note from Alexander Brady
     1180    '''
     1181   
    11721182    HX = np.inner(H.T,GB)
    11731183    lenHX = np.sqrt(np.sum(HX**2))
     
    11781188
    11791189def ellipseSizeDerv(H,Sij,GB):
    1180     'needs a doc string'
     1190    '''Implements r=1/sqrt(sum((1/S)*(q.v)^2) derivative per note from Alexander Brady
     1191    '''
     1192   
    11811193    lenR = ellipseSize(H,Sij,GB)
    11821194    delt = 0.001
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