source: sasview/sansmodels/src/sans/models/HayterMSAStructure.py @ 0b12abb5

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Last change on this file since 0b12abb5 was 79ac6f8, checked in by Gervaise Alina <gervyh@…>, 15 years ago

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[1bbf2ac]1#!/usr/bin/env python
2
[79ac6f8]3##############################################################################
4#       This software was developed by the University of Tennessee as part of the
5#       Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
6#       project funded by the US National Science Foundation.
7#
8#       If you use DANSE applications to do scientific research that leads to
9#       publication, we ask that you acknowledge the use of the software with the
10#       following sentence:
11#
12#       "This work benefited from DANSE software developed under NSF award DMR-0520547."
13#
14#       copyright 2008, University of Tennessee
15##############################################################################
[1bbf2ac]16
17
[79ac6f8]18"""
19Provide functionality for a C extension model
[1bbf2ac]20
[79ac6f8]21:WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY
22         DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\HayterMSA.h
23         AND RE-RUN THE GENERATOR SCRIPT
[1bbf2ac]24
25"""
26
27from sans.models.BaseComponent import BaseComponent
28from sans_extension.c_models import CHayterMSAStructure
29import copy   
30   
31class HayterMSAStructure(CHayterMSAStructure, BaseComponent):
[79ac6f8]32    """
33    Class that evaluates a HayterMSAStructure model.
34    This file was auto-generated from ..\c_extensions\HayterMSA.h.
35    Refer to that file and the structure it contains
36    for details of the model.
37    List of default parameters:
[5eb9154]38         effect_radius   = 20.75 [A]
[1bbf2ac]39         charge          = 19.0
40         volfraction     = 0.0192
[0824909]41         temperature     = 318.16 [K]
42         saltconc        = 0.0 [M]
[1bbf2ac]43         dielectconst    = 71.08
44
45    """
46       
47    def __init__(self):
48        """ Initialization """
49       
50        # Initialize BaseComponent first, then sphere
51        BaseComponent.__init__(self)
52        CHayterMSAStructure.__init__(self)
53       
54        ## Name of the model
55        self.name = "HayterMSAStructure"
56        ## Model description
[1ed3834]57        self.description ="""To calculate the structure factor (the Fourier transform of the
58                pair correlation function g(r)) for a system of
59                charged, spheroidal objects in a dielectric
60                medium.
61                When combined with an appropriate form
62                factor, this allows for inclusion of
63                the interparticle interference effects
64                due to screened coulomb repulsion between
65                charged particles.
66                (Note: charge > 0 required.)
[1bbf2ac]67               
68                Ref: JP Hansen and JB Hayter, Molecular
69                Physics 46, 651-656 (1982).
70                """
71       
[fe9c19b4]72        ## Parameter details [units, min, max]
[1bbf2ac]73        self.details = {}
[5eb9154]74        self.details['effect_radius'] = ['[A]', None, None]
[1bbf2ac]75        self.details['charge'] = ['', None, None]
76        self.details['volfraction'] = ['', None, None]
[0824909]77        self.details['temperature'] = ['[K]', None, None]
78        self.details['saltconc'] = ['[M]', None, None]
[1bbf2ac]79        self.details['dielectconst'] = ['', None, None]
80
[fe9c19b4]81        ## fittable parameters
[5eb9154]82        self.fixed=['effect_radius.width']
[0824909]83       
84        ## parameters with orientation
85        self.orientation_params =[]
[1bbf2ac]86   
87    def clone(self):
88        """ Return a identical copy of self """
89        return self._clone(HayterMSAStructure())   
[fe9c19b4]90       
91    def __getstate__(self):
[79ac6f8]92        """
93        return object state for pickling and copying
94        """
[fe9c19b4]95        model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log}
96       
97        return self.__dict__, model_state
98       
99    def __setstate__(self, state):
[79ac6f8]100        """
101        create object from pickled state
102       
103        :param state: the state of the current model
104       
105        """
[fe9c19b4]106       
107        self.__dict__, model_state = state
108        self.params = model_state['params']
109        self.dispersion = model_state['dispersion']
110        self.log = model_state['log']
111       
[1bbf2ac]112   
[79ac6f8]113    def run(self, x=0.0):
114        """
115        Evaluate the model
116       
117        :param x: input q, or [q,phi]
118       
119        :return: scattering function P(q)
120       
[1bbf2ac]121        """
122       
123        return CHayterMSAStructure.run(self, x)
124   
[79ac6f8]125    def runXY(self, x=0.0):
126        """
127        Evaluate the model in cartesian coordinates
128       
129        :param x: input q, or [qx, qy]
130       
131        :return: scattering function P(q)
132       
[1bbf2ac]133        """
134       
135        return CHayterMSAStructure.runXY(self, x)
136       
[79ac6f8]137    def evalDistribution(self, x=[]):
138        """
139        Evaluate the model in cartesian coordinates
140       
141        :param x: input q[], or [qx[], qy[]]
142       
143        :return: scattering function P(q[])
144       
[9bd69098]145        """
[f9a1279]146        return CHayterMSAStructure.evalDistribution(self, x)
[9bd69098]147       
[5eb9154]148    def calculate_ER(self):
[79ac6f8]149        """
150        Calculate the effective radius for P(q)*S(q)
151       
152        :return: the value of the effective radius
153       
[5eb9154]154        """       
155        return CHayterMSAStructure.calculate_ER(self)
156       
[1bbf2ac]157    def set_dispersion(self, parameter, dispersion):
158        """
[79ac6f8]159        Set the dispersion object for a model parameter
160       
161        :param parameter: name of the parameter [string]
162        :param dispersion: dispersion object of type DispersionModel
163       
[1bbf2ac]164        """
165        return CHayterMSAStructure.set_dispersion(self, parameter, dispersion.cdisp)
166       
167   
168# End of file
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