source: sasview/sansmodels/src/sans/models/HayterMSAStructure.py @ d85ee8c

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Last change on this file since d85ee8c was 96656e3, checked in by Jae Cho <jhjcho@…>, 14 years ago

update models due to changes of template

  • Property mode set to 100644
File size: 5.1 KB
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1#!/usr/bin/env python
2
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##############################################################################
16
17
18"""
19Provide functionality for a C extension model
20
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
24
25"""
26
27from sans.models.BaseComponent import BaseComponent
28from sans_extension.c_models import CHayterMSAStructure
29import copy   
30
31def create_HayterMSAStructure():
32    obj = HayterMSAStructure()
33    #CHayterMSAStructure.__init__(obj) is called by HayterMSAStructure constructor
34    return obj
35
36class HayterMSAStructure(CHayterMSAStructure, BaseComponent):
37    """
38    Class that evaluates a HayterMSAStructure model.
39    This file was auto-generated from ..\c_extensions\HayterMSA.h.
40    Refer to that file and the structure it contains
41    for details of the model.
42    List of default parameters:
43         effect_radius   = 20.75 [A]
44         charge          = 19.0
45         volfraction     = 0.0192
46         temperature     = 318.16 [K]
47         saltconc        = 0.0 [M]
48         dielectconst    = 71.08
49
50    """
51       
52    def __init__(self):
53        """ Initialization """
54       
55        # Initialize BaseComponent first, then sphere
56        BaseComponent.__init__(self)
57        #apply(CHayterMSAStructure.__init__, (self,))
58        CHayterMSAStructure.__init__(self)
59       
60        ## Name of the model
61        self.name = "HayterMSAStructure"
62        ## Model description
63        self.description ="""To calculate the structure factor (the Fourier transform of the
64                pair correlation function g(r)) for a system of
65                charged, spheroidal objects in a dielectric
66                medium.
67                When combined with an appropriate form
68                factor, this allows for inclusion of
69                the interparticle interference effects
70                due to screened coulomb repulsion between
71                charged particles.
72                (Note: charge > 0 required.)
73               
74                Ref: JP Hansen and JB Hayter, Molecular
75                Physics 46, 651-656 (1982).
76                """
77       
78        ## Parameter details [units, min, max]
79        self.details = {}
80        self.details['effect_radius'] = ['[A]', None, None]
81        self.details['charge'] = ['', None, None]
82        self.details['volfraction'] = ['', None, None]
83        self.details['temperature'] = ['[K]', None, None]
84        self.details['saltconc'] = ['[M]', None, None]
85        self.details['dielectconst'] = ['', None, None]
86
87        ## fittable parameters
88        self.fixed=['effect_radius.width']
89       
90        ## non-fittable parameters
91        self.non_fittable = []
92       
93        ## parameters with orientation
94        self.orientation_params = []
95   
96    def __reduce_ex__(self, proto):
97        """
98        Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of
99        c model.
100        """
101        return (create_HayterMSAStructure,tuple())
102       
103    def clone(self):
104        """ Return a identical copy of self """
105        return self._clone(HayterMSAStructure())   
106       
107   
108    def run(self, x=0.0):
109        """
110        Evaluate the model
111       
112        :param x: input q, or [q,phi]
113       
114        :return: scattering function P(q)
115       
116        """
117       
118        return CHayterMSAStructure.run(self, x)
119   
120    def runXY(self, x=0.0):
121        """
122        Evaluate the model in cartesian coordinates
123       
124        :param x: input q, or [qx, qy]
125       
126        :return: scattering function P(q)
127       
128        """
129       
130        return CHayterMSAStructure.runXY(self, x)
131       
132    def evalDistribution(self, x=[]):
133        """
134        Evaluate the model in cartesian coordinates
135       
136        :param x: input q[], or [qx[], qy[]]
137       
138        :return: scattering function P(q[])
139       
140        """
141        return CHayterMSAStructure.evalDistribution(self, x)
142       
143    def calculate_ER(self):
144        """
145        Calculate the effective radius for P(q)*S(q)
146       
147        :return: the value of the effective radius
148       
149        """       
150        return CHayterMSAStructure.calculate_ER(self)
151       
152    def set_dispersion(self, parameter, dispersion):
153        """
154        Set the dispersion object for a model parameter
155       
156        :param parameter: name of the parameter [string]
157        :param dispersion: dispersion object of type DispersionModel
158       
159        """
160        return CHayterMSAStructure.set_dispersion(self, parameter, dispersion.cdisp)
161       
162   
163# End of file
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