[9ce41c6] | 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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[9ce41c6] | 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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[9ce41c6] | 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\oblate.h |
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| 23 | AND RE-RUN THE GENERATOR SCRIPT |
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[9ce41c6] | 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 COblateModel |
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| 29 | import copy |
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| 30 | |
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| 31 | class OblateModel(COblateModel, BaseComponent): |
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[79ac6f8] | 32 | """ |
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| 33 | Class that evaluates a OblateModel model. |
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| 34 | This file was auto-generated from ..\c_extensions\oblate.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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[9ce41c6] | 38 | scale = 1.0 |
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| 39 | major_core = 200.0 [A] |
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| 40 | minor_core = 20.0 [A] |
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| 41 | major_shell = 250.0 [A] |
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| 42 | minor_shell = 30.0 [A] |
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[27972c1d] | 43 | contrast = 1e-006 [1/A^(2)] |
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| 44 | sld_solvent = 6.3e-006 [1/A^(2)] |
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[9ce41c6] | 45 | background = 0.001 [1/cm] |
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| 46 | axis_theta = 1.0 [rad] |
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| 47 | axis_phi = 1.0 [rad] |
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| 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 | COblateModel.__init__(self) |
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| 57 | |
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| 58 | ## Name of the model |
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| 59 | self.name = "OblateModel" |
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| 60 | ## Model description |
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| 61 | self.description ="""[OblateCoreShellModel] Calculates the form factor for an oblate |
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| 62 | ellipsoid particle with a core_shell structure. |
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| 63 | The form factor is averaged over all possible |
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| 64 | orientations of the ellipsoid such that P(q) |
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| 65 | = scale*<f^2>/Vol + bkg, where f is the |
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| 66 | single particle scattering amplitude. |
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| 67 | [Parameters]: |
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| 68 | major_core = radius of major_core, |
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| 69 | minor_core = radius of minor_core, |
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| 70 | major_shell = radius of major_shell, |
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| 71 | minor_shell = radius of minor_shell, |
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| 72 | contrast = SLD_core - SLD_shell |
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| 73 | sld_solvent = SLD_solvent |
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| 74 | background = Incoherent bkg |
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| 75 | scale =scale |
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| 76 | Note:It is the users' responsibility to ensure |
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| 77 | that shell radii are larger than core radii.""" |
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| 78 | |
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[fe9c19b4] | 79 | ## Parameter details [units, min, max] |
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[9ce41c6] | 80 | self.details = {} |
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| 81 | self.details['scale'] = ['', None, None] |
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| 82 | self.details['major_core'] = ['[A]', None, None] |
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| 83 | self.details['minor_core'] = ['[A]', None, None] |
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| 84 | self.details['major_shell'] = ['[A]', None, None] |
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| 85 | self.details['minor_shell'] = ['[A]', None, None] |
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[27972c1d] | 86 | self.details['contrast'] = ['[1/A^(2)]', None, None] |
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| 87 | self.details['sld_solvent'] = ['[1/A^(2)]', None, None] |
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[9ce41c6] | 88 | self.details['background'] = ['[1/cm]', None, None] |
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| 89 | self.details['axis_theta'] = ['[rad]', None, None] |
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| 90 | self.details['axis_phi'] = ['[rad]', None, None] |
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| 91 | |
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[fe9c19b4] | 92 | ## fittable parameters |
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[9ce41c6] | 93 | self.fixed=['major_core.width', 'minor_core.width', 'major_shell.width', 'minor_shell.width'] |
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| 94 | |
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| 95 | ## parameters with orientation |
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| 96 | self.orientation_params =['axis_phi', 'axis_theta', 'axis_phi.width', 'axis_theta.width'] |
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| 97 | |
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| 98 | def clone(self): |
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| 99 | """ Return a identical copy of self """ |
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| 100 | return self._clone(OblateModel()) |
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[fe9c19b4] | 101 | |
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| 102 | def __getstate__(self): |
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[79ac6f8] | 103 | """ |
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| 104 | return object state for pickling and copying |
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| 105 | """ |
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[fe9c19b4] | 106 | model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log} |
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| 107 | |
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| 108 | return self.__dict__, model_state |
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| 109 | |
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| 110 | def __setstate__(self, state): |
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[79ac6f8] | 111 | """ |
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| 112 | create object from pickled state |
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| 113 | |
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| 114 | :param state: the state of the current model |
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| 115 | |
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| 116 | """ |
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[fe9c19b4] | 117 | |
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| 118 | self.__dict__, model_state = state |
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| 119 | self.params = model_state['params'] |
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| 120 | self.dispersion = model_state['dispersion'] |
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| 121 | self.log = model_state['log'] |
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| 122 | |
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[9ce41c6] | 123 | |
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[79ac6f8] | 124 | def run(self, x=0.0): |
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| 125 | """ |
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| 126 | Evaluate the model |
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| 127 | |
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| 128 | :param x: input q, or [q,phi] |
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| 129 | |
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| 130 | :return: scattering function P(q) |
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| 131 | |
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[9ce41c6] | 132 | """ |
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| 133 | |
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| 134 | return COblateModel.run(self, x) |
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| 135 | |
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[79ac6f8] | 136 | def runXY(self, x=0.0): |
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| 137 | """ |
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| 138 | Evaluate the model in cartesian coordinates |
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| 139 | |
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| 140 | :param x: input q, or [qx, qy] |
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| 141 | |
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| 142 | :return: scattering function P(q) |
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| 143 | |
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[9ce41c6] | 144 | """ |
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| 145 | |
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| 146 | return COblateModel.runXY(self, x) |
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| 147 | |
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[79ac6f8] | 148 | def evalDistribution(self, x=[]): |
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| 149 | """ |
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| 150 | Evaluate the model in cartesian coordinates |
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| 151 | |
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| 152 | :param x: input q[], or [qx[], qy[]] |
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| 153 | |
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| 154 | :return: scattering function P(q[]) |
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| 155 | |
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[9ce41c6] | 156 | """ |
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[f9a1279] | 157 | return COblateModel.evalDistribution(self, x) |
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[9ce41c6] | 158 | |
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| 159 | def calculate_ER(self): |
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[79ac6f8] | 160 | """ |
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| 161 | Calculate the effective radius for P(q)*S(q) |
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| 162 | |
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| 163 | :return: the value of the effective radius |
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| 164 | |
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[9ce41c6] | 165 | """ |
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| 166 | return COblateModel.calculate_ER(self) |
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| 167 | |
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| 168 | def set_dispersion(self, parameter, dispersion): |
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| 169 | """ |
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[79ac6f8] | 170 | Set the dispersion object for a model parameter |
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| 171 | |
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| 172 | :param parameter: name of the parameter [string] |
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| 173 | :param dispersion: dispersion object of type DispersionModel |
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| 174 | |
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[9ce41c6] | 175 | """ |
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| 176 | return COblateModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 177 | |
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| 178 | |
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| 179 | # End of file |
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