source: sasview/sansmodels/src/sans/models/CoreShellEllipsoidModel.py @ 33aea7f

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Last change on this file since 33aea7f was b1c3295, checked in by Mathieu Doucet <doucetm@…>, 12 years ago

Re #4 This should clean up a whole bunch of C++ warnings.

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File size: 6.4 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/spheroid.h
23         AND RE-RUN THE GENERATOR SCRIPT
24
25"""
26
27from sans.models.BaseComponent import BaseComponent
28from sans.models.sans_extension.c_models import CCoreShellEllipsoidModel
29import copy   
30
31def create_CoreShellEllipsoidModel():
32    obj = CoreShellEllipsoidModel()
33    #CCoreShellEllipsoidModel.__init__(obj) is called by CoreShellEllipsoidModel constructor
34    return obj
35
36class CoreShellEllipsoidModel(CCoreShellEllipsoidModel, BaseComponent):
37    """
38    Class that evaluates a CoreShellEllipsoidModel model.
39    This file was auto-generated from ../c_extensions/spheroid.h.
40    Refer to that file and the structure it contains
41    for details of the model.
42    List of default parameters:
43         scale           = 1.0
44         equat_core      = 200.0 [A]
45         polar_core      = 20.0 [A]
46         equat_shell     = 250.0 [A]
47         polar_shell     = 30.0 [A]
48         sld_core        = 2e-06 [1/A^(2)]
49         sld_shell       = 1e-06 [1/A^(2)]
50         sld_solvent     = 6.3e-06 [1/A^(2)]
51         background      = 0.001 [1/cm]
52         axis_theta      = 0.0 [deg]
53         axis_phi        = 0.0 [deg]
54
55    """
56       
57    def __init__(self):
58        """ Initialization """
59       
60        # Initialize BaseComponent first, then sphere
61        BaseComponent.__init__(self)
62        #apply(CCoreShellEllipsoidModel.__init__, (self,))
63        CCoreShellEllipsoidModel.__init__(self)
64       
65        ## Name of the model
66        self.name = "CoreShellEllipsoidModel"
67        ## Model description
68        self.description ="""[SpheroidCoreShellModel] Calculates the form factor for an spheroid
69                ellipsoid particle with a core_shell structure.
70                The form factor is averaged over all possible
71                orientations of the ellipsoid such that P(q)
72                = scale*<f^2>/Vol + bkg, where f is the
73                single particle scattering amplitude.
74                [Parameters]:
75                equat_core = equatorial radius of core,
76                polar_core = polar radius of core,
77                equat_shell = equatorial radius of shell,
78                polar_shell = polar radius (revolution axis) of shell,
79                sld_core = SLD_core
80                sld_shell = SLD_shell
81                sld_solvent = SLD_solvent
82                background = Incoherent bkg
83                scale =scale
84                Note:It is the users' responsibility to ensure
85                that shell radii are larger than core radii.
86                oblate: polar radius < equatorial radius
87                prolate :  polar radius > equatorial radius"""
88       
89        ## Parameter details [units, min, max]
90        self.details = {}
91        self.details['scale'] = ['', None, None]
92        self.details['equat_core'] = ['[A]', None, None]
93        self.details['polar_core'] = ['[A]', None, None]
94        self.details['equat_shell'] = ['[A]', None, None]
95        self.details['polar_shell'] = ['[A]', None, None]
96        self.details['sld_core'] = ['[1/A^(2)]', None, None]
97        self.details['sld_shell'] = ['[1/A^(2)]', None, None]
98        self.details['sld_solvent'] = ['[1/A^(2)]', None, None]
99        self.details['background'] = ['[1/cm]', None, None]
100        self.details['axis_theta'] = ['[deg]', None, None]
101        self.details['axis_phi'] = ['[deg]', None, None]
102
103        ## fittable parameters
104        self.fixed=['equat_core.width', 'polar_core.width', 'equat_shell.width', 'polar_shell.width', 'axis_phi.width', 'axis_theta.width']
105       
106        ## non-fittable parameters
107        self.non_fittable = []
108       
109        ## parameters with orientation
110        self.orientation_params = ['axis_phi', 'axis_theta', 'axis_phi.width', 'axis_theta.width']
111
112    def __setstate__(self, state):
113        """
114        restore the state of a model from pickle
115        """
116        self.__dict__, self.params, self.dispersion = state
117       
118    def __reduce_ex__(self, proto):
119        """
120        Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of
121        c model.
122        """
123        state = (self.__dict__, self.params, self.dispersion)
124        return (create_CoreShellEllipsoidModel,tuple(), state, None, None)
125       
126    def clone(self):
127        """ Return a identical copy of self """
128        return self._clone(CoreShellEllipsoidModel())   
129       
130   
131    def run(self, x=0.0):
132        """
133        Evaluate the model
134       
135        :param x: input q, or [q,phi]
136       
137        :return: scattering function P(q)
138       
139        """
140       
141        return CCoreShellEllipsoidModel.run(self, x)
142   
143    def runXY(self, x=0.0):
144        """
145        Evaluate the model in cartesian coordinates
146       
147        :param x: input q, or [qx, qy]
148       
149        :return: scattering function P(q)
150       
151        """
152       
153        return CCoreShellEllipsoidModel.runXY(self, x)
154       
155    def evalDistribution(self, x=[]):
156        """
157        Evaluate the model in cartesian coordinates
158       
159        :param x: input q[], or [qx[], qy[]]
160       
161        :return: scattering function P(q[])
162       
163        """
164        return CCoreShellEllipsoidModel.evalDistribution(self, x)
165       
166    def calculate_ER(self):
167        """
168        Calculate the effective radius for P(q)*S(q)
169       
170        :return: the value of the effective radius
171       
172        """       
173        return CCoreShellEllipsoidModel.calculate_ER(self)
174       
175    def set_dispersion(self, parameter, dispersion):
176        """
177        Set the dispersion object for a model parameter
178       
179        :param parameter: name of the parameter [string]
180        :param dispersion: dispersion object of type DispersionModel
181       
182        """
183        return CCoreShellEllipsoidModel.set_dispersion(self, parameter, dispersion.cdisp)
184       
185   
186# End of file
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