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

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Last change on this file since a7d9e9c was ec658c85, checked in by Jae Cho <jhjcho@…>, 15 years ago

python files of new models and unit tests

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File size: 4.4 KB
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1#!/usr/bin/env python
2"""
3        This software was developed by the University of Tennessee as part of the
4        Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
5        project funded by the US National Science Foundation.
6
7        If you use DANSE applications to do scientific research that leads to
8        publication, we ask that you acknowledge the use of the software with the
9        following sentence:
10
11        "This work benefited from DANSE software developed under NSF award DMR-0520547."
12
13        copyright 2008, University of Tennessee
14"""
15
16""" Provide functionality for a C extension model
17
18        WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY
19                 DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\polygausscoil.h
20                 AND RE-RUN THE GENERATOR SCRIPT
21
22"""
23
24from sans.models.BaseComponent import BaseComponent
25from sans_extension.c_models import CPoly_GaussCoil
26import copy   
27   
28class Poly_GaussCoil(CPoly_GaussCoil, BaseComponent):
29    """ Class that evaluates a Poly_GaussCoil model.
30        This file was auto-generated from ..\c_extensions\polygausscoil.h.
31        Refer to that file and the structure it contains
32        for details of the model.
33        List of default parameters:
34         scale           = 1.0
35         rg              = 60.0 [A]
36         poly_m          = 2.0 [Mw/Mn]
37         background      = 0.001 [1/cm]
38
39    """
40       
41    def __init__(self):
42        """ Initialization """
43       
44        # Initialize BaseComponent first, then sphere
45        BaseComponent.__init__(self)
46        CPoly_GaussCoil.__init__(self)
47       
48        ## Name of the model
49        self.name = "Poly_GaussCoil"
50        ## Model description
51        self.description ="""I(q)=(scale)*2*[(1+U*x)^(-1/U)+x-1]/[(1+U)*x^2]
52                + background
53                where x = [rg^2*q^2] and the polydispersity is
54                U = [M_w/M_n]-1.
55                scale = scale factor * volume fraction
56                rg: radius of gyration
57                poly_m = polydispersity of molecular weight
58                background:incoherent background"""
59       
60        ## Parameter details [units, min, max]
61        self.details = {}
62        self.details['scale'] = ['', None, None]
63        self.details['rg'] = ['[A]', None, None]
64        self.details['poly_m'] = ['[Mw/Mn]', None, None]
65        self.details['background'] = ['[1/cm]', None, None]
66
67        ## fittable parameters
68        self.fixed=[]
69       
70        ## parameters with orientation
71        self.orientation_params =[]
72   
73    def clone(self):
74        """ Return a identical copy of self """
75        return self._clone(Poly_GaussCoil())   
76       
77    def __getstate__(self):
78        """ return object state for pickling and copying """
79        model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log}
80       
81        return self.__dict__, model_state
82       
83    def __setstate__(self, state):
84        """ create object from pickled state """
85       
86        self.__dict__, model_state = state
87        self.params = model_state['params']
88        self.dispersion = model_state['dispersion']
89        self.log = model_state['log']
90       
91   
92    def run(self, x = 0.0):
93        """ Evaluate the model
94            @param x: input q, or [q,phi]
95            @return: scattering function P(q)
96        """
97       
98        return CPoly_GaussCoil.run(self, x)
99   
100    def runXY(self, x = 0.0):
101        """ Evaluate the model in cartesian coordinates
102            @param x: input q, or [qx, qy]
103            @return: scattering function P(q)
104        """
105       
106        return CPoly_GaussCoil.runXY(self, x)
107       
108    def evalDistribution(self, x = []):
109        """ Evaluate the model in cartesian coordinates
110            @param x: input q[], or [qx[], qy[]]
111            @return: scattering function P(q[])
112        """
113        return CPoly_GaussCoil.evalDistribution(self, x)
114       
115    def calculate_ER(self):
116        """ Calculate the effective radius for P(q)*S(q)
117            @return: the value of the effective radius
118        """       
119        return CPoly_GaussCoil.calculate_ER(self)
120       
121    def set_dispersion(self, parameter, dispersion):
122        """
123            Set the dispersion object for a model parameter
124            @param parameter: name of the parameter [string]
125            @dispersion: dispersion object of type DispersionModel
126        """
127        return CPoly_GaussCoil.set_dispersion(self, parameter, dispersion.cdisp)
128       
129   
130# End of file
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