def pearsonVIIsplit(xdata,Amp,xc,H,A,mL,mH):
#% Usage: [ycalc] = pearsonVIIsplit(X, xdata)
#% Split pearson VII peak profile as described in
#% Toraya, H. (1990). "Array-Type Universal Profile
#% Function for Powder Pattern Fitting."
#% Journal of Applied Crystallography 23: 485-491.
#%
#% I would be interested in another version where the profile is
#% ANALYTICALLY convoluted with a rectangular function of certain width.
#% I tried one day, it should work, but I gave up.
#%
#% Henrik T. Lemke, March 2009
# Amp=height
# xc = center
# H = FWHM
# A = assymetry, symmetric is 1
# mL,mH = wings >=1
xdata = np.asarray(iterfy(xdata))
ycalc = np.zeros_like(xdata)
ycalc[xdata<=xc] = Amp*2.*(1+A)/(np.sqrt(np.pi)*H)\
*((A*gamma(mL-.5))/(np.sqrt(2.**(1./mL)-1)*gamma(mL)) \
+ gamma(mH-.5)/(np.sqrt(2.**(1./mH)-1)*gamma(mH)))**(-1)\
*(1 + (2.**(1./mL)-1)*((1+A)/A)**2 * ((xdata[xdata<=xc]-xc)/H)**2) **(-mL)
A = 1/A
ycalc[xdata>xc] = Amp*2.*(1+A)/(np.sqrt(np.pi)*H)\
*((A*gamma(mH-.5))/(np.sqrt(2.**(1./mH)-1)*gamma(mH)) \
+ gamma(mL-.5)/(np.sqrt(2.**(1./mL)-1)*gamma(mL)))**(-1)\
*(1 + (2.**(1./mH)-1)*((1+A)/A)**2 * ((xdata[xdata>xc]-xc)/H)**2) **(-mH)
return ycalc
def gamdel2Qfib(gamma,delta,alpha,lam):
gamma = np.array(iterfy(gamma))
delta = np.array(iterfy(delta))
shpgam = np.shape(gamma)
shpdel = np.shape(delta)
if not shpgam==shpdel:
logbook("gamma and delta array must have same shape!")
return
gamma = gamma.ravel()
delta = delta.ravel()
Qs = 2*np.pi/lam * np.array((-rotmat3D([0,1,0],-alpha))*np.mat([
np.cos(delta)*np.cos(gamma)-1,
-np.cos(delta)*np.sin(gamma),
-np.sin(delta)]))
Qip = np.sign(Qs[1,:])*np.sqrt(Qs[0,:]**2+Qs[1,:]**2);
Qop = Qs[2,:]
Qip = Qip.reshape(shpgam)
Qop = Qop.reshape(shpgam)
return Qip,Qop
def applyOnRunlist(input,runnos,experiment,save=True,cacheDir='',identifier=''):
if type(input) is str:
fina = input
elif type(input) is list:
funcs = input
fina = writePyFile(funcs,experiment=experiment,save=save,identifier=identifier,cacheDir=cacheDir)
returns = []
for runno in runnos:
if len(iterfy(runno))>1:
returns.append(applyFileOnRun(fina,runno))
else:
returns.append(applyFileOnRun(fina,[runno]))
return returns