############################################################################## # 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\sans\models\include\HayterMSA.h AND RE-RUN THE GENERATOR SCRIPT """ from sans.models.BaseComponent import BaseComponent from sans.models.sans_extension.c_models import CHayterMSAStructure def create_HayterMSAStructure(): """ Create a model instance """ obj = HayterMSAStructure() # CHayterMSAStructure.__init__(obj) is called by # the HayterMSAStructure constructor return obj class HayterMSAStructure(CHayterMSAStructure, BaseComponent): """ Class that evaluates a HayterMSAStructure model. This file was auto-generated from src\sans\models\include\HayterMSA.h. Refer to that file and the structure it contains for details of the model. List of default parameters: effect_radius = 20.75 [A] charge = 19.0 volfraction = 0.0192 temperature = 318.16 [K] saltconc = 0.0 [M] dielectconst = 71.08 """ def __init__(self, multfactor=1): """ Initialization """ self.__dict__ = {} # Initialize BaseComponent first, then sphere BaseComponent.__init__(self) #apply(CHayterMSAStructure.__init__, (self,)) CHayterMSAStructure.__init__(self) self.is_multifunc = False ## Name of the model self.name = "HayterMSAStructure" ## Model description self.description = """ To calculate the structure factor (the Fourier transform of the pair correlation function g(r)) for a system of charged, spheroidal objects in a dielectric medium. When combined with an appropriate form factor, this allows for inclusion of the interparticle interference effects due to screened coulomb repulsion between charged particles. (Note: charge > 0 required.) Ref: JP Hansen and JB Hayter, Molecular Physics 46, 651-656 (1982). """ ## Parameter details [units, min, max] self.details = {} self.details['effect_radius'] = ['[A]', None, None] self.details['charge'] = ['', None, None] self.details['volfraction'] = ['', None, None] self.details['temperature'] = ['[K]', None, None] self.details['saltconc'] = ['[M]', None, None] self.details['dielectconst'] = ['', 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_HayterMSAStructure, tuple(), state, None, None) def clone(self): """ Return a identical copy of self """ return self._clone(HayterMSAStructure()) def run(self, x=0.0): """ Evaluate the model :param x: input q, or [q,phi] :return: scattering function P(q) """ return CHayterMSAStructure.run(self, x) 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 CHayterMSAStructure.runXY(self, x) def evalDistribution(self, x): """ Evaluate the model in cartesian coordinates :param x: input q[], or [qx[], qy[]] :return: scattering function P(q[]) """ return CHayterMSAStructure.evalDistribution(self, x) def calculate_ER(self): """ Calculate the effective radius for P(q)*S(q) :return: the value of the effective radius """ return CHayterMSAStructure.calculate_ER(self) def calculate_VR(self): """ Calculate the volf ratio for P(q)*S(q) :return: the value of the volf ratio """ return CHayterMSAStructure.calculate_VR(self) 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 CHayterMSAStructure.set_dispersion(self, parameter, dispersion.cdisp) # End of file