##############################################################################
# This software was developed by the University of Tennessee as part of the
# Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
# project funded by the US National Science Foundation.
#
# If you use DANSE applications to do scientific research that leads to
# publication, we ask that you acknowledge the use of the software with the
# following sentence:
#
# This work benefited from DANSE software developed under NSF award DMR-0520547
#
# Copyright 2008-2011, University of Tennessee
##############################################################################
"""
Provide functionality for a C extension model
.. WARNING::
THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY
DO NOT MODIFY THIS FILE, MODIFY
src/sas/models/include/core_shell_bicelle.h
AND RE-RUN THE GENERATOR SCRIPT
"""
from sas.models.BaseComponent import BaseComponent
from sas.models.sas_extension.c_models import CCoreShellBicelleModel
from numpy import inf
[docs]def create_CoreShellBicelleModel():
"""
Create a model instance
"""
obj = CoreShellBicelleModel()
# CCoreShellBicelleModel.__init__(obj) is called by
# the CoreShellBicelleModel constructor
return obj
[docs]class CoreShellBicelleModel(CCoreShellBicelleModel, BaseComponent):
"""
Class that evaluates a CoreShellBicelleModel model.
This file was auto-generated from src/sas/models/include/core_shell_bicelle.h.
Refer to that file and the structure it contains
for details of the model.
List of default parameters:
* radius = 20.0 [A]
* scale = 1.0
* rim_thick = 10.0 [A]
* face_thick = 10.0 [A]
* length = 400.0 [A]
* core_sld = 1e-06 [1/A^(2)]
* face_sld = 4e-06 [1/A^(2)]
* rim_sld = 4e-06 [1/A^(2)]
* solvent_sld = 1e-06 [1/A^(2)]
* background = 0.0 [1/cm]
* axis_theta = 90.0 [deg]
* axis_phi = 0.0 [deg]
"""
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CCoreShellBicelleModel.__init__, (self,))
CCoreShellBicelleModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "CoreShellBicelleModel"
## Model description
self.description = """
P(q,alpha)= scale/Vs*f(q)^(2) + bkg, where: f(q)= 2(core_sld
- solvant_sld)* Vc*sin[qLcos(alpha/2)]
/[qLcos(alpha/2)]*J1(qRsin(alpha))
/[qRsin(alpha)]+2(shell_sld-solvent_sld)
*Vs*sin[q(L+T)cos(alpha/2)][[q(L+T)
*cos(alpha/2)]*J1(q(R+T)sin(alpha))
/q(R+T)sin(alpha)]
alpha:is the angle between the axis of
the cylinder and the q-vector
Vs: the volume of the outer shell
Vc: the volume of the core
L: the length of the core
shell_sld: the scattering length density
of the shell
solvent_sld: the scattering length density
of the solvent
bkg: the background
T: the thickness
R+T: is the outer radius
L+2T: The total length of the outershell
J1: the first order Bessel function
theta: axis_theta of the cylinder
phi: the axis_phi of the cylinder...
"""
## Parameter details [units, min, max]
self.details = {}
self.details['radius'] = ['[A]', None, None]
self.details['scale'] = ['', None, None]
self.details['rim_thick'] = ['[A]', None, None]
self.details['face_thick'] = ['[A]', None, None]
self.details['length'] = ['[A]', None, None]
self.details['core_sld'] = ['[1/A^(2)]', None, None]
self.details['face_sld'] = ['[1/A^(2)]', None, None]
self.details['rim_sld'] = ['[1/A^(2)]', None, None]
self.details['solvent_sld'] = ['[1/A^(2)]', None, None]
self.details['background'] = ['[1/cm]', None, None]
self.details['axis_theta'] = ['[deg]', None, None]
self.details['axis_phi'] = ['[deg]', None, None]
## fittable parameters
self.fixed = ['axis_phi.width',
'axis_theta.width',
'length.width',
'radius.width',
'rim_thick.width',
'face_thick.width']
## non-fittable parameters
self.non_fittable = []
## parameters with orientation
self.orientation_params = ['axis_phi',
'axis_theta',
'axis_phi.width',
'axis_theta.width']
## parameters with magnetism
self.magnetic_params = []
self.category = None
self.multiplicity_info = None
def __setstate__(self, state):
"""
restore the state of a model from pickle
"""
self.__dict__, self.params, self.dispersion = state
def __reduce_ex__(self, proto):
"""
Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of
c model.
"""
state = (self.__dict__, self.params, self.dispersion)
return (create_CoreShellBicelleModel, tuple(), state, None, None)
[docs] def clone(self):
""" Return a identical copy of self """
return self._clone(CoreShellBicelleModel())
[docs] def run(self, x=0.0):
"""
Evaluate the model
:param x: input q, or [q,phi]
:return: scattering function P(q)
"""
return CCoreShellBicelleModel.run(self, x)
[docs] def runXY(self, x=0.0):
"""
Evaluate the model in cartesian coordinates
:param x: input q, or [qx, qy]
:return: scattering function P(q)
"""
return CCoreShellBicelleModel.runXY(self, x)
[docs] def evalDistribution(self, x):
"""
Evaluate the model in cartesian coordinates
:param x: input q[], or [qx[], qy[]]
:return: scattering function P(q[])
"""
return CCoreShellBicelleModel.evalDistribution(self, x)
[docs] def calculate_ER(self):
"""
Calculate the effective radius for P(q)*S(q)
:return: the value of the effective radius
"""
return CCoreShellBicelleModel.calculate_ER(self)
[docs] def calculate_VR(self):
"""
Calculate the volf ratio for P(q)*S(q)
:return: the value of the volf ratio
"""
return CCoreShellBicelleModel.calculate_VR(self)
[docs] def set_dispersion(self, parameter, dispersion):
"""
Set the dispersion object for a model parameter
:param parameter: name of the parameter [string]
:param dispersion: dispersion object of type DispersionModel
"""
return CCoreShellBicelleModel.set_dispersion(self,
parameter, dispersion.cdisp)
# End of file