[5068697] | 1 | #!/usr/bin/env python |
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| 2 | |
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[79ac6f8] | 3 | ############################################################################## |
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| 4 | # This software was developed by the University of Tennessee as part of the |
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| 5 | # Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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| 6 | # project funded by the US National Science Foundation. |
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| 7 | # |
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| 8 | # If you use DANSE applications to do scientific research that leads to |
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| 9 | # publication, we ask that you acknowledge the use of the software with the |
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| 10 | # following sentence: |
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| 11 | # |
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| 12 | # "This work benefited from DANSE software developed under NSF award DMR-0520547." |
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| 13 | # |
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| 14 | # copyright 2008, University of Tennessee |
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| 15 | ############################################################################## |
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[5068697] | 16 | |
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| 17 | |
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[79ac6f8] | 18 | """ |
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| 19 | Provide functionality for a C extension model |
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[5068697] | 20 | |
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[79ac6f8] | 21 | :WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
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| 22 | DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\triaxial_ellipsoid.h |
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| 23 | AND RE-RUN THE GENERATOR SCRIPT |
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[5068697] | 24 | |
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| 25 | """ |
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| 26 | |
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| 27 | from sans.models.BaseComponent import BaseComponent |
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| 28 | from sans_extension.c_models import CTriaxialEllipsoidModel |
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| 29 | import copy |
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| 30 | |
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| 31 | class TriaxialEllipsoidModel(CTriaxialEllipsoidModel, BaseComponent): |
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[79ac6f8] | 32 | """ |
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| 33 | Class that evaluates a TriaxialEllipsoidModel model. |
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| 34 | This file was auto-generated from ..\c_extensions\triaxial_ellipsoid.h. |
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| 35 | Refer to that file and the structure it contains |
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| 36 | for details of the model. |
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| 37 | List of default parameters: |
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[5068697] | 38 | scale = 1.0 |
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[3c102d4] | 39 | semi_axisA = 35.0 [A] |
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| 40 | semi_axisB = 100.0 [A] |
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[5068697] | 41 | semi_axisC = 400.0 [A] |
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[13eb1c4] | 42 | sldEll = 1e-006 [1/A^(2)] |
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| 43 | sldSolv = 6.3e-006 [1/A^(2)] |
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[5068697] | 44 | background = 0.0 [1/cm] |
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[3c102d4] | 45 | axis_theta = 1.0 [rad] |
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| 46 | axis_phi = 1.0 [rad] |
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[975ec8e] | 47 | axis_psi = 0.0 [rad] |
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[5068697] | 48 | |
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| 49 | """ |
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| 50 | |
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| 51 | def __init__(self): |
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| 52 | """ Initialization """ |
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| 53 | |
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| 54 | # Initialize BaseComponent first, then sphere |
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| 55 | BaseComponent.__init__(self) |
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| 56 | CTriaxialEllipsoidModel.__init__(self) |
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| 57 | |
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| 58 | ## Name of the model |
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| 59 | self.name = "TriaxialEllipsoidModel" |
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| 60 | ## Model description |
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[7ad9887] | 61 | self.description ="""Note: During fitting ensure that the inequality A<B<C is not |
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| 62 | violated. Otherwise the calculation will |
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| 63 | not be correct.""" |
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[5068697] | 64 | |
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[fe9c19b4] | 65 | ## Parameter details [units, min, max] |
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[5068697] | 66 | self.details = {} |
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| 67 | self.details['scale'] = ['', None, None] |
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| 68 | self.details['semi_axisA'] = ['[A]', None, None] |
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[3c102d4] | 69 | self.details['semi_axisB'] = ['[A]', None, None] |
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[5068697] | 70 | self.details['semi_axisC'] = ['[A]', None, None] |
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[13eb1c4] | 71 | self.details['sldEll'] = ['[1/A^(2)]', None, None] |
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| 72 | self.details['sldSolv'] = ['[1/A^(2)]', None, None] |
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[5068697] | 73 | self.details['background'] = ['[1/cm]', None, None] |
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| 74 | self.details['axis_theta'] = ['[rad]', None, None] |
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| 75 | self.details['axis_phi'] = ['[rad]', None, None] |
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[975ec8e] | 76 | self.details['axis_psi'] = ['[rad]', None, None] |
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[5068697] | 77 | |
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[fe9c19b4] | 78 | ## fittable parameters |
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[975ec8e] | 79 | self.fixed=['axis_psi.width', 'axis_phi.width', 'axis_theta.width', 'semi_axisA.width', 'semi_axisB.width', 'semi_axisC.width'] |
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[5068697] | 80 | |
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| 81 | ## parameters with orientation |
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[975ec8e] | 82 | self.orientation_params =['axis_psi', 'axis_phi', 'axis_theta', 'axis_psi.width', 'axis_phi.width', 'axis_theta.width'] |
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[5068697] | 83 | |
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| 84 | def clone(self): |
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| 85 | """ Return a identical copy of self """ |
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| 86 | return self._clone(TriaxialEllipsoidModel()) |
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[fe9c19b4] | 87 | |
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| 88 | def __getstate__(self): |
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[79ac6f8] | 89 | """ |
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| 90 | return object state for pickling and copying |
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| 91 | """ |
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[fe9c19b4] | 92 | model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log} |
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| 93 | |
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| 94 | return self.__dict__, model_state |
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| 95 | |
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| 96 | def __setstate__(self, state): |
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[79ac6f8] | 97 | """ |
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| 98 | create object from pickled state |
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| 99 | |
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| 100 | :param state: the state of the current model |
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| 101 | |
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| 102 | """ |
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[fe9c19b4] | 103 | |
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| 104 | self.__dict__, model_state = state |
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| 105 | self.params = model_state['params'] |
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| 106 | self.dispersion = model_state['dispersion'] |
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| 107 | self.log = model_state['log'] |
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| 108 | |
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[5068697] | 109 | |
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[79ac6f8] | 110 | def run(self, x=0.0): |
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| 111 | """ |
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| 112 | Evaluate the model |
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| 113 | |
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| 114 | :param x: input q, or [q,phi] |
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| 115 | |
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| 116 | :return: scattering function P(q) |
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| 117 | |
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[5068697] | 118 | """ |
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| 119 | |
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| 120 | return CTriaxialEllipsoidModel.run(self, x) |
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| 121 | |
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[79ac6f8] | 122 | def runXY(self, x=0.0): |
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| 123 | """ |
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| 124 | Evaluate the model in cartesian coordinates |
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| 125 | |
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| 126 | :param x: input q, or [qx, qy] |
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| 127 | |
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| 128 | :return: scattering function P(q) |
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| 129 | |
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[5068697] | 130 | """ |
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| 131 | |
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| 132 | return CTriaxialEllipsoidModel.runXY(self, x) |
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| 133 | |
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[79ac6f8] | 134 | def evalDistribution(self, x=[]): |
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| 135 | """ |
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| 136 | Evaluate the model in cartesian coordinates |
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| 137 | |
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| 138 | :param x: input q[], or [qx[], qy[]] |
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| 139 | |
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| 140 | :return: scattering function P(q[]) |
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| 141 | |
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[9bd69098] | 142 | """ |
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[f9a1279] | 143 | return CTriaxialEllipsoidModel.evalDistribution(self, x) |
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[9bd69098] | 144 | |
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[5eb9154] | 145 | def calculate_ER(self): |
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[79ac6f8] | 146 | """ |
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| 147 | Calculate the effective radius for P(q)*S(q) |
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| 148 | |
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| 149 | :return: the value of the effective radius |
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| 150 | |
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[5eb9154] | 151 | """ |
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| 152 | return CTriaxialEllipsoidModel.calculate_ER(self) |
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| 153 | |
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[5068697] | 154 | def set_dispersion(self, parameter, dispersion): |
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| 155 | """ |
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[79ac6f8] | 156 | Set the dispersion object for a model parameter |
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| 157 | |
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| 158 | :param parameter: name of the parameter [string] |
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| 159 | :param dispersion: dispersion object of type DispersionModel |
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| 160 | |
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[5068697] | 161 | """ |
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| 162 | return CTriaxialEllipsoidModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 163 | |
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| 164 | |
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| 165 | # End of file |
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