Source code for pySAXS.models.Capsule

from model import Model
from pySAXS.LS.LSsca import Qlogspace
from pySAXS.LS.LSsca import Pcylh

import numpy

[docs]class Capsule(Model): ''' class monoSphere from LSSca by OT 10/06/2009 '''
[docs] def CapsuleFunction(self,q,par): """ q array of q (A-1) par[0] Radius(A) par[1] Length (A) par[2] concentration of sphere (cm-3) par[3] scattering length density of sphere (cm-2) par[4] scattering length density of outside (cm-2) """ R=par[0] L=par[1] return par[2]*(1.e-48)*((par[3]-par[4])**2.)*((numpy.pi*(par[0])**2.*(par[1]))**2.)*Pcylh(q,R,L)
''' parameters definition Model(2,MonoCylinder,Qlogspace(1e-4,1.,500.) ,([25.,100.,1.5e14,2e11,1e10]), ("Radius (A)","Length ","Number density", "Scattering length density of cyl (cm-2)", "scattering length density of medium (cm-2)"), ("%f","%f","%1.3e","%1.3e","%1.3e"), (True,True,False,False,False)), from LSsca ''' IntensityFunc=CapsuleFunction #function N=0 q=Qlogspace(1e-4,1.,100.) #q range(x scale) Arg=[25.,100.,9.8e11,9.8e10,1e10] #list of defaults parameters Format=["%f","%f","%1.3e","%1.3e","%1.3e"] #list of c format istofit=[True,True,False,False,False] #list of boolean for fitting name="Capsule" #name of the model author="O Spalla" #name of the authors WarningForCalculationTime=True Doc=["Radius (A)",\ "Length ",\ "Number density",\ "Scattering length density of cyl (cm-2)",\ "scattering length density of medium (cm-2)"] #list of description for parameters
if __name__=="__main__": ''' test code ''' modl=Capsule() #plot the model import Gnuplot gp=Gnuplot.Gnuplot() gp("set logscale xy") c=Gnuplot.Data(modl.q,modl.getIntensity(),with_='points') gp.plot(c) raw_input("enter") #plot and fit the noisy model yn=modl.getNoisy(0.4) cn=Gnuplot.Data(modl.q,yn,with_='points') res=modl.fit(yn) cf=Gnuplot.Data(modl.q,modl.IntensityFunc(modl.q,res),with_='lines') gp.plot(c,cn,cf) raw_input("enter") #plot and fit the noisy model with fitBounds bounds=modl.getBoundsFromParam() #[250.0,2e11,1e10,1.5e15] res2=modl.fitBounds(yn,bounds) print res2 raw_input("enter")