##############################################################################
# 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/spheroidXT.h
AND RE-RUN THE GENERATOR SCRIPT
"""
from sas.models.BaseComponent import BaseComponent
from sas.models.sas_extension.c_models import CCoreShellEllipsoidXTModel
[docs]def create_CoreShellEllipsoidXTModel():
"""
Create a model instance
"""
obj = CoreShellEllipsoidXTModel()
# CCoreShellEllipsoidXTModel.__init__(obj) is called by
# the CoreShellEllipsoidXTModel constructor
return obj
[docs]class CoreShellEllipsoidXTModel(CCoreShellEllipsoidXTModel, BaseComponent):
"""
Class that evaluates a CoreShellEllipsoidXTModel model.
This file was auto-generated from src/sas/models/include/spheroidXT.h.
Refer to that file and the structure it contains
for details of the model.
List of default parameters:
* scale = 0.05
* equat_core = 20.0 [A]
* X_core = 3.0
* T_shell = 30.0 [A]
* XpolarShell = 1.0
* sld_core = 2e-06 [1/A^(2)]
* sld_shell = 1e-06 [1/A^(2)]
* sld_solvent = 6.3e-06 [1/A^(2)]
* background = 0.001 [1/cm]
* axis_theta = 0.0 [deg]
* axis_phi = 0.0 [deg]
"""
def __init__(self, multfactor=1):
""" Initialization """
self.__dict__ = {}
# Initialize BaseComponent first, then sphere
BaseComponent.__init__(self)
#apply(CCoreShellEllipsoidXTModel.__init__, (self,))
CCoreShellEllipsoidXTModel.__init__(self)
self.is_multifunc = False
## Name of the model
self.name = "CoreShellEllipsoidXTModel"
## Model description
self.description = """
[SpheroidCoreShellModel] Calculates the form factor for an spheroid
ellipsoid particle with a core_shell structure.
The form factor is averaged over all possible
orientations of the ellipsoid such that P(q)
= scale*<f^2>/Vol + bkg, where f is the
single particle scattering amplitude.
[Parameters]:
equat_core = equatorial radius of core,
polar_core = polar radius of core = equat_core*X_core,
equat_shell = equatorial radius of outer surface = equat_core + T_shell,
polar_shell = polar radius (revolution axis) of outer surface = equat_core*X_core + XpolarShell*T_shell
sld_core = SLD_core
sld_shell = SLD_shell
sld_solvent = SLD_solvent
background = Incoherent bkg
scale =scale
Note:It is the users' responsibility to ensure
that shell radii are larger than core radii.
oblate: polar radius < equatorial radius
prolate : polar radius > equatorial radius - this new model will make this easier
and polydispersity integrals more logical (as previously the shell could disappear).
"""
## Parameter details [units, min, max]
self.details = {}
self.details['scale'] = ['', None, None]
self.details['equat_core'] = ['[A]', None, None]
self.details['X_core'] = ['', None, None]
self.details['T_shell'] = ['[A]', None, None]
self.details['XpolarShell'] = ['', None, None]
self.details['sld_core'] = ['[1/A^(2)]', None, None]
self.details['sld_shell'] = ['[1/A^(2)]', None, None]
self.details['sld_solvent'] = ['[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 = ['equat_core.width',
'X_core.width',
'T_shell.width',
'Xpolarshell.width',
'axis_phi.width',
'axis_theta.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_CoreShellEllipsoidXTModel, tuple(), state, None, None)
[docs] def clone(self):
""" Return a identical copy of self """
return self._clone(CoreShellEllipsoidXTModel())
[docs] def run(self, x=0.0):
"""
Evaluate the model
:param x: input q, or [q,phi]
:return: scattering function P(q)
"""
return CCoreShellEllipsoidXTModel.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 CCoreShellEllipsoidXTModel.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 CCoreShellEllipsoidXTModel.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 CCoreShellEllipsoidXTModel.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 CCoreShellEllipsoidXTModel.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 CCoreShellEllipsoidXTModel.set_dispersion(self,
parameter, dispersion.cdisp)
# End of file