source: sasview/sansmodels/src/sans/models/SquareWellStructure.py @ 500be82

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Last change on this file since 500be82 was b1c3295, checked in by Mathieu Doucet <doucetm@…>, 13 years ago

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

  • 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/SquareWell.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 CSquareWellStructure
29import copy   
30
31def create_SquareWellStructure():
32    obj = SquareWellStructure()
33    #CSquareWellStructure.__init__(obj) is called by SquareWellStructure constructor
34    return obj
35
36class SquareWellStructure(CSquareWellStructure, BaseComponent):
37    """
38    Class that evaluates a SquareWellStructure model.
39    This file was auto-generated from ../c_extensions/SquareWell.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   = 50.0 [A]
44         volfraction     = 0.04
45         welldepth       = 1.5 [kT]
46         wellwidth       = 1.2
47
48    """
49       
50    def __init__(self):
51        """ Initialization """
52       
53        # Initialize BaseComponent first, then sphere
54        BaseComponent.__init__(self)
55        #apply(CSquareWellStructure.__init__, (self,))
56        CSquareWellStructure.__init__(self)
57       
58        ## Name of the model
59        self.name = "SquareWellStructure"
60        ## Model description
61        self.description =""" Structure Factor for interacting particles:             .
62               
63                The interaction potential is
64               
65                U(r)= inf   , r < 2R
66                = -d    , 2R <= r <=2Rw
67                = 0     , r >= 2Rw
68               
69                R: effective radius (A)of the particle
70                v: volume fraction
71                d: well depth
72                w: well width; multiples of the
73                particle diameter
74               
75                Ref: Sharma, R. V.; Sharma,
76                K. C., Physica, 1977, 89A, 213."""
77       
78        ## Parameter details [units, min, max]
79        self.details = {}
80        self.details['effect_radius'] = ['[A]', None, None]
81        self.details['volfraction'] = ['', None, None]
82        self.details['welldepth'] = ['[kT]', None, None]
83        self.details['wellwidth'] = ['', None, None]
84
85        ## fittable parameters
86        self.fixed=['effect_radius.width']
87       
88        ## non-fittable parameters
89        self.non_fittable = []
90       
91        ## parameters with orientation
92        self.orientation_params = []
93
94    def __setstate__(self, state):
95        """
96        restore the state of a model from pickle
97        """
98        self.__dict__, self.params, self.dispersion = state
99       
100    def __reduce_ex__(self, proto):
101        """
102        Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of
103        c model.
104        """
105        state = (self.__dict__, self.params, self.dispersion)
106        return (create_SquareWellStructure,tuple(), state, None, None)
107       
108    def clone(self):
109        """ Return a identical copy of self """
110        return self._clone(SquareWellStructure())   
111       
112   
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       
121        """
122       
123        return CSquareWellStructure.run(self, x)
124   
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       
133        """
134       
135        return CSquareWellStructure.runXY(self, x)
136       
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       
145        """
146        return CSquareWellStructure.evalDistribution(self, x)
147       
148    def calculate_ER(self):
149        """
150        Calculate the effective radius for P(q)*S(q)
151       
152        :return: the value of the effective radius
153       
154        """       
155        return CSquareWellStructure.calculate_ER(self)
156       
157    def set_dispersion(self, parameter, dispersion):
158        """
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       
164        """
165        return CSquareWellStructure.set_dispersion(self, parameter, dispersion.cdisp)
166       
167   
168# End of file
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