[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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[b1c3295] | 22 | DO NOT MODIFY THIS FILE, MODIFY ../c_extensions/ellipsoid.h |
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[79ac6f8] | 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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[92df66f8] | 28 | from sans.models.sans_extension.c_models import CEllipsoidModel |
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[ae3ce4e] | 29 | import copy |
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[96656e3] | 30 | |
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| 31 | def create_EllipsoidModel(): |
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| 32 | obj = EllipsoidModel() |
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| 33 | #CEllipsoidModel.__init__(obj) is called by EllipsoidModel constructor |
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| 34 | return obj |
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| 35 | |
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[ae3ce4e] | 36 | class EllipsoidModel(CEllipsoidModel, BaseComponent): |
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[79ac6f8] | 37 | """ |
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| 38 | Class that evaluates a EllipsoidModel model. |
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[b1c3295] | 39 | This file was auto-generated from ../c_extensions/ellipsoid.h. |
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[79ac6f8] | 40 | Refer to that file and the structure it contains |
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| 41 | for details of the model. |
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[b1c3295] | 42 | List of default parameters: |
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| 43 | scale = 1.0 |
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| 44 | radius_a = 20.0 [A] |
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| 45 | radius_b = 400.0 [A] |
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| 46 | sldEll = 4e-06 [1/A^(2)] |
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| 47 | sldSolv = 1e-06 [1/A^(2)] |
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| 48 | background = 0.0 [1/cm] |
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| 49 | axis_theta = 90.0 [deg] |
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| 50 | axis_phi = 0.0 [deg] |
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[ae3ce4e] | 51 | |
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| 52 | """ |
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| 53 | |
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| 54 | def __init__(self): |
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| 55 | """ Initialization """ |
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| 56 | |
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| 57 | # Initialize BaseComponent first, then sphere |
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| 58 | BaseComponent.__init__(self) |
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[96656e3] | 59 | #apply(CEllipsoidModel.__init__, (self,)) |
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[ae3ce4e] | 60 | CEllipsoidModel.__init__(self) |
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| 61 | |
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| 62 | ## Name of the model |
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| 63 | self.name = "EllipsoidModel" |
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[836fe6e] | 64 | ## Model description |
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[b1c3295] | 65 | self.description =""""P(q.alpha)= scale*f(q)^(2)+ bkg, where f(q)= 3*(sld_ell |
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| 66 | - sld_solvent)*V*[sin(q*r(Ra,Rb,alpha)) |
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| 67 | -q*r*cos(qr(Ra,Rb,alpha))] |
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| 68 | /[qr(Ra,Rb,alpha)]^(3)" |
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| 69 | |
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| 70 | r(Ra,Rb,alpha)= [Rb^(2)*(sin(alpha))^(2) |
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| 71 | + Ra^(2)*(cos(alpha))^(2)]^(1/2) |
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| 72 | |
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| 73 | scatter_sld: SLD of the scatter |
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| 74 | solvent_sld: SLD of the solvent |
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| 75 | sldEll: SLD of ellipsoid |
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| 76 | sldSolv: SLD of solvent |
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| 77 | V: volune of the Eliipsoid |
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| 78 | Ra: radius along the rotation axis |
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| 79 | of the Ellipsoid |
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| 80 | Rb: radius perpendicular to the |
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[1ed3834] | 81 | rotation axis of the ellipsoid""" |
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[836fe6e] | 82 | |
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[b1c3295] | 83 | ## Parameter details [units, min, max] |
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| 84 | self.details = {} |
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| 85 | self.details['scale'] = ['', None, None] |
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| 86 | self.details['radius_a'] = ['[A]', None, None] |
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| 87 | self.details['radius_b'] = ['[A]', None, None] |
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| 88 | self.details['sldEll'] = ['[1/A^(2)]', None, None] |
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| 89 | self.details['sldSolv'] = ['[1/A^(2)]', None, None] |
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| 90 | self.details['background'] = ['[1/cm]', None, None] |
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| 91 | self.details['axis_theta'] = ['[deg]', None, None] |
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| 92 | self.details['axis_phi'] = ['[deg]', None, None] |
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[836fe6e] | 93 | |
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[fe9c19b4] | 94 | ## fittable parameters |
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[25a608f5] | 95 | self.fixed=['axis_phi.width', 'axis_theta.width', 'radius_a.width', 'radius_b.width', 'length.width', 'r_minor.width'] |
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| 96 | |
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[35aface] | 97 | ## non-fittable parameters |
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[96656e3] | 98 | self.non_fittable = [] |
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[35aface] | 99 | |
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[25a608f5] | 100 | ## parameters with orientation |
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[96656e3] | 101 | self.orientation_params = ['axis_phi.width', 'axis_theta.width', 'axis_phi', 'axis_theta'] |
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[c7a7e1b] | 102 | |
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| 103 | def __setstate__(self, state): |
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| 104 | """ |
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| 105 | restore the state of a model from pickle |
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| 106 | """ |
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| 107 | self.__dict__, self.params, self.dispersion = state |
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| 108 | |
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[96656e3] | 109 | def __reduce_ex__(self, proto): |
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[79ac6f8] | 110 | """ |
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[96656e3] | 111 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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| 112 | c model. |
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[79ac6f8] | 113 | """ |
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[c7a7e1b] | 114 | state = (self.__dict__, self.params, self.dispersion) |
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| 115 | return (create_EllipsoidModel,tuple(), state, None, None) |
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[fe9c19b4] | 116 | |
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[96656e3] | 117 | def clone(self): |
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| 118 | """ Return a identical copy of self """ |
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| 119 | return self._clone(EllipsoidModel()) |
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[fe9c19b4] | 120 | |
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[ae3ce4e] | 121 | |
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[79ac6f8] | 122 | def run(self, x=0.0): |
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| 123 | """ |
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| 124 | Evaluate the model |
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| 125 | |
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| 126 | :param x: input q, or [q,phi] |
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| 127 | |
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| 128 | :return: scattering function P(q) |
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| 129 | |
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[ae3ce4e] | 130 | """ |
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| 131 | |
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| 132 | return CEllipsoidModel.run(self, x) |
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| 133 | |
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[79ac6f8] | 134 | def runXY(self, x=0.0): |
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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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[ae3ce4e] | 142 | """ |
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| 143 | |
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| 144 | return CEllipsoidModel.runXY(self, x) |
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[95986b5] | 145 | |
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[79ac6f8] | 146 | def evalDistribution(self, x=[]): |
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| 147 | """ |
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| 148 | Evaluate the model in cartesian coordinates |
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| 149 | |
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| 150 | :param x: input q[], or [qx[], qy[]] |
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| 151 | |
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| 152 | :return: scattering function P(q[]) |
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| 153 | |
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[9bd69098] | 154 | """ |
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[f9a1279] | 155 | return CEllipsoidModel.evalDistribution(self, x) |
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[9bd69098] | 156 | |
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[5eb9154] | 157 | def calculate_ER(self): |
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[79ac6f8] | 158 | """ |
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| 159 | Calculate the effective radius for P(q)*S(q) |
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| 160 | |
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| 161 | :return: the value of the effective radius |
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| 162 | |
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[5eb9154] | 163 | """ |
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| 164 | return CEllipsoidModel.calculate_ER(self) |
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| 165 | |
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[95986b5] | 166 | def set_dispersion(self, parameter, dispersion): |
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| 167 | """ |
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[79ac6f8] | 168 | Set the dispersion object for a model parameter |
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| 169 | |
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| 170 | :param parameter: name of the parameter [string] |
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| 171 | :param dispersion: dispersion object of type DispersionModel |
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| 172 | |
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[95986b5] | 173 | """ |
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| 174 | return CEllipsoidModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 175 | |
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[ae3ce4e] | 176 | |
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[b1c3295] | 177 | # End of file |
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