Source code for sas.models.SquareWellStructure

##############################################################################
# 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/SquareWell.h
   AND RE-RUN THE GENERATOR SCRIPT
"""

from sas.models.BaseComponent import BaseComponent
from sas.models.sas_extension.c_models import CSquareWellStructure

[docs]def create_SquareWellStructure(): """ Create a model instance """ obj = SquareWellStructure() # CSquareWellStructure.__init__(obj) is called by # the SquareWellStructure constructor return obj
[docs]class SquareWellStructure(CSquareWellStructure, BaseComponent): """ Class that evaluates a SquareWellStructure model. This file was auto-generated from src/sas/models/include/SquareWell.h. Refer to that file and the structure it contains for details of the model. List of default parameters: * effect_radius = 50.0 [A] * volfraction = 0.04 * welldepth = 1.5 [kT] * wellwidth = 1.2 """ def __init__(self, multfactor=1): """ Initialization """ self.__dict__ = {} # Initialize BaseComponent first, then sphere BaseComponent.__init__(self) #apply(CSquareWellStructure.__init__, (self,)) CSquareWellStructure.__init__(self) self.is_multifunc = False ## Name of the model self.name = "SquareWellStructure" ## Model description self.description = """ Structure Factor for interacting particles: . The interaction potential is U(r)= inf , r < 2R = -d , 2R <= r <=2Rw = 0 , r >= 2Rw R: effective radius (A)of the particle v: volume fraction d: well depth w: well width; multiples of the particle diameter Ref: Sharma, R. V.; Sharma, K. C., Physica, 1977, 89A, 213. """ ## Parameter details [units, min, max] self.details = {} self.details['effect_radius'] = ['[A]', None, None] self.details['volfraction'] = ['', None, None] self.details['welldepth'] = ['[kT]', None, None] self.details['wellwidth'] = ['', None, None] ## fittable parameters self.fixed = ['effect_radius.width'] ## non-fittable parameters self.non_fittable = [] ## parameters with orientation self.orientation_params = [] ## 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_SquareWellStructure, tuple(), state, None, None)
[docs] def clone(self): """ Return a identical copy of self """ return self._clone(SquareWellStructure())
[docs] def run(self, x=0.0): """ Evaluate the model :param x: input q, or [q,phi] :return: scattering function P(q) """ return CSquareWellStructure.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 CSquareWellStructure.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 CSquareWellStructure.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 CSquareWellStructure.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 CSquareWellStructure.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 CSquareWellStructure.set_dispersion(self, parameter, dispersion.cdisp) # End of file