source: sasview/sansmodels/src/sans/models/HayterMSAStructure.py @ a7d9e9c

#!/usr/bin/env python
"""
        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, University of Tennessee
"""

""" Provide functionality for a C extension model

        WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY
                 DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\HayterMSA.h
                 AND RE-RUN THE GENERATOR SCRIPT

"""

from sans.models.BaseComponent import BaseComponent
from sans_extension.c_models import CHayterMSAStructure
import copy    
    
class HayterMSAStructure(CHayterMSAStructure, BaseComponent):
    """ Class that evaluates a HayterMSAStructure model. 
        This file was auto-generated from ..\c_extensions\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):
        """ Initialization """
        
        # Initialize BaseComponent first, then sphere
        BaseComponent.__init__(self)
        CHayterMSAStructure.__init__(self)
        
        ## 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']
        
        ## parameters with orientation
        self.orientation_params =[]
   
    def clone(self):
        """ Return a identical copy of self """
        return self._clone(HayterMSAStructure())   
        
    def __getstate__(self):
        """ return object state for pickling and copying """
        model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log}
        
        return self.__dict__, model_state
        
    def __setstate__(self, state):
        """ create object from pickled state """
        
        self.__dict__, model_state = state
        self.params = model_state['params']
        self.dispersion = model_state['dispersion']
        self.log = model_state['log']
        
   
    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 set_dispersion(self, parameter, dispersion):
        """
            Set the dispersion object for a model parameter
            @param parameter: name of the parameter [string]
            @dispersion: dispersion object of type DispersionModel
        """
        return CHayterMSAStructure.set_dispersion(self, parameter, dispersion.cdisp)
        
   
# End of file