[ae3ce4e] | 1 | #!/usr/bin/env python |
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[95986b5] | 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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[95986b5] | 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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[ae3ce4e] | 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\ellipsoid.h |
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| 23 | AND RE-RUN THE GENERATOR SCRIPT |
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[ae3ce4e] | 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 CEllipsoidModel |
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| 29 | import copy |
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| 30 | |
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| 31 | class EllipsoidModel(CEllipsoidModel, BaseComponent): |
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[79ac6f8] | 32 | """ |
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| 33 | Class that evaluates a EllipsoidModel model. |
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| 34 | This file was auto-generated from ..\c_extensions\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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[ae3ce4e] | 38 | scale = 1.0 |
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[1ed3834] | 39 | radius_a = 20.0 [A] |
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| 40 | radius_b = 400.0 [A] |
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[f10063e] | 41 | sldEll = 4e-006 [1/A^(2)] |
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| 42 | sldSolv = 1e-006 [1/A^(2)] |
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[0824909] | 43 | background = 0.0 [1/cm] |
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[4628e31] | 44 | axis_theta = 90.0 [deg] |
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| 45 | axis_phi = 0.0 [deg] |
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[ae3ce4e] | 46 | |
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| 47 | """ |
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| 48 | |
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| 49 | def __init__(self): |
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| 50 | """ Initialization """ |
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| 51 | |
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| 52 | # Initialize BaseComponent first, then sphere |
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| 53 | BaseComponent.__init__(self) |
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| 54 | CEllipsoidModel.__init__(self) |
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| 55 | |
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| 56 | ## Name of the model |
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| 57 | self.name = "EllipsoidModel" |
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[836fe6e] | 58 | ## Model description |
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[f10063e] | 59 | self.description =""""P(q.alpha)= scale*f(q)^(2)+ bkg, where f(q)= 3*(sld_ell |
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| 60 | - sld_solvent)*V*[sin(q*r(Ra,Rb,alpha)) |
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[1ed3834] | 61 | -q*r*cos(qr(Ra,Rb,alpha))] |
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[9316609] | 62 | /[qr(Ra,Rb,alpha)]^(3)" |
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[1ed3834] | 63 | |
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[0824909] | 64 | r(Ra,Rb,alpha)= [Rb^(2)*(sin(alpha))^(2) |
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| 65 | + Ra^(2)*(cos(alpha))^(2)]^(1/2) |
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[1ed3834] | 66 | |
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| 67 | scatter_sld: SLD of the scatter |
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| 68 | solvent_sld: SLD of the solvent |
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[f10063e] | 69 | sldEll: SLD of ellipsoid |
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| 70 | sldSolv: SLD of solvent |
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[9316609] | 71 | V: volune of the Eliipsoid |
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[1ed3834] | 72 | Ra: radius along the rotation axis |
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| 73 | of the Ellipsoid |
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| 74 | Rb: radius perpendicular to the |
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| 75 | rotation axis of the ellipsoid""" |
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[836fe6e] | 76 | |
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[fe9c19b4] | 77 | ## Parameter details [units, min, max] |
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[ae3ce4e] | 78 | self.details = {} |
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| 79 | self.details['scale'] = ['', None, None] |
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[1ed3834] | 80 | self.details['radius_a'] = ['[A]', None, None] |
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| 81 | self.details['radius_b'] = ['[A]', None, None] |
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[f10063e] | 82 | self.details['sldEll'] = ['[1/A^(2)]', None, None] |
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| 83 | self.details['sldSolv'] = ['[1/A^(2)]', None, None] |
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[0824909] | 84 | self.details['background'] = ['[1/cm]', None, None] |
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[4628e31] | 85 | self.details['axis_theta'] = ['[deg]', None, None] |
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| 86 | self.details['axis_phi'] = ['[deg]', None, None] |
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[836fe6e] | 87 | |
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[fe9c19b4] | 88 | ## fittable parameters |
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[25a608f5] | 89 | self.fixed=['axis_phi.width', 'axis_theta.width', 'radius_a.width', 'radius_b.width', 'length.width', 'r_minor.width'] |
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| 90 | |
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[35aface] | 91 | ## non-fittable parameters |
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| 92 | self.non_fittable=[] |
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| 93 | |
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[25a608f5] | 94 | ## parameters with orientation |
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| 95 | self.orientation_params =['axis_phi.width', 'axis_theta.width', 'axis_phi', 'axis_theta'] |
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[ae3ce4e] | 96 | |
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| 97 | def clone(self): |
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| 98 | """ Return a identical copy of self """ |
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[95986b5] | 99 | return self._clone(EllipsoidModel()) |
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[fe9c19b4] | 100 | |
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| 101 | def __getstate__(self): |
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[79ac6f8] | 102 | """ |
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| 103 | return object state for pickling and copying |
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| 104 | """ |
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[fe9c19b4] | 105 | model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log} |
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| 106 | |
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| 107 | return self.__dict__, model_state |
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| 108 | |
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| 109 | def __setstate__(self, state): |
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[79ac6f8] | 110 | """ |
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| 111 | create object from pickled state |
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| 112 | |
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| 113 | :param state: the state of the current model |
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| 114 | |
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| 115 | """ |
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[fe9c19b4] | 116 | |
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| 117 | self.__dict__, model_state = state |
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| 118 | self.params = model_state['params'] |
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| 119 | self.dispersion = model_state['dispersion'] |
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| 120 | self.log = model_state['log'] |
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| 121 | |
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[ae3ce4e] | 122 | |
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[79ac6f8] | 123 | def run(self, x=0.0): |
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| 124 | """ |
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| 125 | Evaluate the model |
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| 126 | |
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| 127 | :param x: input q, or [q,phi] |
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| 128 | |
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| 129 | :return: scattering function P(q) |
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| 130 | |
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[ae3ce4e] | 131 | """ |
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| 132 | |
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| 133 | return CEllipsoidModel.run(self, x) |
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| 134 | |
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[79ac6f8] | 135 | def runXY(self, x=0.0): |
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| 136 | """ |
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| 137 | Evaluate the model in cartesian coordinates |
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| 138 | |
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| 139 | :param x: input q, or [qx, qy] |
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| 140 | |
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| 141 | :return: scattering function P(q) |
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| 142 | |
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[ae3ce4e] | 143 | """ |
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| 144 | |
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| 145 | return CEllipsoidModel.runXY(self, x) |
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[95986b5] | 146 | |
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[79ac6f8] | 147 | def evalDistribution(self, x=[]): |
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| 148 | """ |
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| 149 | Evaluate the model in cartesian coordinates |
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| 150 | |
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| 151 | :param x: input q[], or [qx[], qy[]] |
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| 152 | |
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| 153 | :return: scattering function P(q[]) |
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| 154 | |
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[9bd69098] | 155 | """ |
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[f9a1279] | 156 | return CEllipsoidModel.evalDistribution(self, x) |
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[9bd69098] | 157 | |
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[5eb9154] | 158 | def calculate_ER(self): |
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[79ac6f8] | 159 | """ |
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| 160 | Calculate the effective radius for P(q)*S(q) |
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| 161 | |
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| 162 | :return: the value of the effective radius |
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| 163 | |
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[5eb9154] | 164 | """ |
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| 165 | return CEllipsoidModel.calculate_ER(self) |
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| 166 | |
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[95986b5] | 167 | def set_dispersion(self, parameter, dispersion): |
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| 168 | """ |
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[79ac6f8] | 169 | Set the dispersion object for a model parameter |
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| 170 | |
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| 171 | :param parameter: name of the parameter [string] |
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| 172 | :param dispersion: dispersion object of type DispersionModel |
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| 173 | |
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[95986b5] | 174 | """ |
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| 175 | return CEllipsoidModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 176 | |
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[ae3ce4e] | 177 | |
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| 178 | # End of file |
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