source: sasview/sansmodels/src/sans/models/MultiShellModel.py @ c451be9

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Last change on this file since c451be9 was c451be9, checked in by Jae Cho <jhjcho@…>, 15 years ago

corrections on the definition of polydispersity as suggested by steve K: should be normalized by average volume

  • Property mode set to 100644
File size: 5.0 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\multishell.h
20                 AND RE-RUN THE GENERATOR SCRIPT
21
22"""
23
24from sans.models.BaseComponent import BaseComponent
25from sans_extension.c_models import CMultiShellModel
26import copy   
27   
28class MultiShellModel(CMultiShellModel, BaseComponent):
29    """ Class that evaluates a MultiShellModel model.
30        This file was auto-generated from ..\c_extensions\multishell.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         core_radius     = 60.0 [A]
36         s_thickness     = 10.0 [A]
37         w_thickness     = 10.0 [A]
38         core_sld        = 6.4e-006 [1/A^(2)]
39         shell_sld       = 4e-007 [1/A^(2)]
40         n_pairs         = 2.0
41         background      = 0.0 [1/cm]
42
43    """
44       
45    def __init__(self):
46        """ Initialization """
47       
48        # Initialize BaseComponent first, then sphere
49        BaseComponent.__init__(self)
50        CMultiShellModel.__init__(self)
51       
52        ## Name of the model
53        self.name = "MultiShellModel"
54        ## Model description
55        self.description =""" MultiShell (Sphere) Model (or Multilamellar Vesicles): Model parameters;
56                scale : scale factor
57                core_radius : Core radius of the multishell
58                s_thickness: shell thickness
59                w_thickness: water thickness
60                core_sld: core scattering length density
61                shell_sld: shell scattering length density
62                n_pairs:number of pairs of water/shell
63                background: incoherent background"""
64       
65        ## Parameter details [units, min, max]
66        self.details = {}
67        self.details['scale'] = ['', None, None]
68        self.details['core_radius'] = ['[A]', None, None]
69        self.details['s_thickness'] = ['[A]', None, None]
70        self.details['w_thickness'] = ['[A]', None, None]
71        self.details['core_sld'] = ['[1/A^(2)]', None, None]
72        self.details['shell_sld'] = ['[1/A^(2)]', None, None]
73        self.details['n_pairs'] = ['', None, None]
74        self.details['background'] = ['[1/cm]', None, None]
75
76        ## fittable parameters
77        self.fixed=['core_radius.width', 's_thickness.width', 'w_thickness.width']
78       
79        ## parameters with orientation
80        self.orientation_params =[]
81   
82    def clone(self):
83        """ Return a identical copy of self """
84        return self._clone(MultiShellModel())   
85       
86    def __getstate__(self):
87        """ return object state for pickling and copying """
88        model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log}
89       
90        return self.__dict__, model_state
91       
92    def __setstate__(self, state):
93        """ create object from pickled state """
94       
95        self.__dict__, model_state = state
96        self.params = model_state['params']
97        self.dispersion = model_state['dispersion']
98        self.log = model_state['log']
99       
100   
101    def run(self, x = 0.0):
102        """ Evaluate the model
103            @param x: input q, or [q,phi]
104            @return: scattering function P(q)
105        """
106       
107        return CMultiShellModel.run(self, x)
108   
109    def runXY(self, x = 0.0):
110        """ Evaluate the model in cartesian coordinates
111            @param x: input q, or [qx, qy]
112            @return: scattering function P(q)
113        """
114       
115        return CMultiShellModel.runXY(self, x)
116       
117    def evalDistribition(self, x = []):
118        """ Evaluate the model in cartesian coordinates
119            @param x: input q[], or [qx[], qy[]]
120            @return: scattering function P(q[])
121        """
122        return CMultiShellModel.evalDistribition(self, x)
123       
124    def calculate_ER(self):
125        """ Calculate the effective radius for P(q)*S(q)
126            @return: the value of the effective radius
127        """       
128        return CMultiShellModel.calculate_ER(self)
129       
130    def set_dispersion(self, parameter, dispersion):
131        """
132            Set the dispersion object for a model parameter
133            @param parameter: name of the parameter [string]
134            @dispersion: dispersion object of type DispersionModel
135        """
136        return CMultiShellModel.set_dispersion(self, parameter, dispersion.cdisp)
137       
138   
139# End of file
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