source: sasview/sansmodels/src/sans/models/StickyHSStructure.py @ 4785dec

#!/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\stickyHS.h
                 AND RE-RUN THE GENERATOR SCRIPT

"""

from sans.models.BaseComponent import BaseComponent
from sans_extension.c_models import CStickyHSStructure
import copy    
    
class StickyHSStructure(CStickyHSStructure, BaseComponent):
    """ Class that evaluates a StickyHSStructure model. 
        This file was auto-generated from ..\c_extensions\stickyHS.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     = 0.1 
         perturb         = 0.05 
         stickiness      = 0.2 

    """
        
    def __init__(self):
        """ Initialization """
        
        # Initialize BaseComponent first, then sphere
        BaseComponent.__init__(self)
        CStickyHSStructure.__init__(self)
        
        ## Name of the model
        self.name = "StickyHSStructure"
        ## Model description
        self.description =""" Structure Factor for interacting particles:                               .
                
                The interaction potential is
                
                U(r)= inf , r < 2R
                = -Uo  , 2R < r < 2R + w
                = 0   , r >= 2R +w
                
                R: effective radius of the hardsphere
                stickiness = [exp(Uo/kT)]/(12*perturb)
                perturb = w/(w+ 2R) , 0.01 =< w <= 0.1
                w: The width of the square well ,w > 0
                v: The volume fraction , v > 0
                
                Ref: Menon, S. V. G.,et.al., J. Chem.
                Phys., 1991, 95(12), 9186-9190."""
       
                ## Parameter details [units, min, max]
        self.details = {}
        self.details['effect_radius'] = ['[A]', None, None]
        self.details['volfraction'] = ['', None, None]
        self.details['perturb'] = ['', None, None]
        self.details['stickiness'] = ['', 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(StickyHSStructure())   
   
    def run(self, x = 0.0):
        """ Evaluate the model
            @param x: input q, or [q,phi]
            @return: scattering function P(q)
        """
        
        return CStickyHSStructure.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 CStickyHSStructure.runXY(self, x)
        
    def evalDistribition(self, x = []):
        """ Evaluate the model in cartesian coordinates
            @param x: input q[], or [qx[], qy[]]
            @return: scattering function P(q[])
        """
        return CStickyHSStructure.evalDistribition(self, x)
        
    def calculate_ER(self):
        """ Calculate the effective radius for P(q)*S(q)
            @param x: input q, or [q,phi]
            @return: the value of the effective radius
        """       
        return CStickyHSStructure.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 CStickyHSStructure.set_dispersion(self, parameter, dispersion.cdisp)
        
   
# End of file