[eddff027] | 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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[eddff027] | 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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[eddff027] | 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\spheroid.h |
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| 23 | AND RE-RUN THE GENERATOR SCRIPT |
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[eddff027] | 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 CCoreShellEllipsoidModel |
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| 29 | import copy |
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[96656e3] | 30 | |
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| 31 | def create_CoreShellEllipsoidModel(): |
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| 32 | obj = CoreShellEllipsoidModel() |
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| 33 | #CCoreShellEllipsoidModel.__init__(obj) is called by CoreShellEllipsoidModel constructor |
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| 34 | return obj |
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| 35 | |
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[eddff027] | 36 | class CoreShellEllipsoidModel(CCoreShellEllipsoidModel, BaseComponent): |
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[79ac6f8] | 37 | """ |
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| 38 | Class that evaluates a CoreShellEllipsoidModel model. |
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| 39 | This file was auto-generated from ..\c_extensions\spheroid.h. |
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| 40 | Refer to that file and the structure it contains |
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| 41 | for details of the model. |
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| 42 | List of default parameters: |
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[eddff027] | 43 | scale = 1.0 |
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| 44 | equat_core = 200.0 [A] |
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| 45 | polar_core = 20.0 [A] |
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| 46 | equat_shell = 250.0 [A] |
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| 47 | polar_shell = 30.0 [A] |
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[f10063e] | 48 | sld_core = 2e-006 [1/A^(2)] |
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| 49 | sld_shell = 1e-006 [1/A^(2)] |
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[27972c1d] | 50 | sld_solvent = 6.3e-006 [1/A^(2)] |
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[eddff027] | 51 | background = 0.001 [1/cm] |
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[4628e31] | 52 | axis_theta = 0.0 [deg] |
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| 53 | axis_phi = 0.0 [deg] |
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[eddff027] | 54 | |
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| 55 | """ |
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| 56 | |
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| 57 | def __init__(self): |
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| 58 | """ Initialization """ |
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| 59 | |
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| 60 | # Initialize BaseComponent first, then sphere |
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| 61 | BaseComponent.__init__(self) |
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[96656e3] | 62 | #apply(CCoreShellEllipsoidModel.__init__, (self,)) |
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[eddff027] | 63 | CCoreShellEllipsoidModel.__init__(self) |
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| 64 | |
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| 65 | ## Name of the model |
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| 66 | self.name = "CoreShellEllipsoidModel" |
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| 67 | ## Model description |
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| 68 | self.description ="""[SpheroidCoreShellModel] Calculates the form factor for an spheroid |
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| 69 | ellipsoid particle with a core_shell structure. |
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| 70 | The form factor is averaged over all possible |
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| 71 | orientations of the ellipsoid such that P(q) |
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| 72 | = scale*<f^2>/Vol + bkg, where f is the |
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| 73 | single particle scattering amplitude. |
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| 74 | [Parameters]: |
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| 75 | equat_core = equatorial radius of core, |
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| 76 | polar_core = polar radius of core, |
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| 77 | equat_shell = equatorial radius of shell, |
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[5eb9154] | 78 | polar_shell = polar radius (revolution axis) of shell, |
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[f10063e] | 79 | sld_core = SLD_core |
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| 80 | sld_shell = SLD_shell |
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[eddff027] | 81 | sld_solvent = SLD_solvent |
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| 82 | background = Incoherent bkg |
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| 83 | scale =scale |
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| 84 | Note:It is the users' responsibility to ensure |
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| 85 | that shell radii are larger than core radii. |
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[5eb9154] | 86 | oblate: polar radius < equatorial radius |
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| 87 | prolate : polar radius > equatorial radius""" |
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[eddff027] | 88 | |
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[fe9c19b4] | 89 | ## Parameter details [units, min, max] |
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[eddff027] | 90 | self.details = {} |
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| 91 | self.details['scale'] = ['', None, None] |
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| 92 | self.details['equat_core'] = ['[A]', None, None] |
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| 93 | self.details['polar_core'] = ['[A]', None, None] |
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| 94 | self.details['equat_shell'] = ['[A]', None, None] |
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| 95 | self.details['polar_shell'] = ['[A]', None, None] |
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[f10063e] | 96 | self.details['sld_core'] = ['[1/A^(2)]', None, None] |
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| 97 | self.details['sld_shell'] = ['[1/A^(2)]', None, None] |
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[27972c1d] | 98 | self.details['sld_solvent'] = ['[1/A^(2)]', None, None] |
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[eddff027] | 99 | self.details['background'] = ['[1/cm]', None, None] |
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[4628e31] | 100 | self.details['axis_theta'] = ['[deg]', None, None] |
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| 101 | self.details['axis_phi'] = ['[deg]', None, None] |
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[eddff027] | 102 | |
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[fe9c19b4] | 103 | ## fittable parameters |
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[eddff027] | 104 | self.fixed=['equat_core.width', 'polar_core.width', 'equat_shell.width', 'polar_shell.width', 'axis_phi.width', 'axis_theta.width'] |
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| 105 | |
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[35aface] | 106 | ## non-fittable parameters |
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[96656e3] | 107 | self.non_fittable = [] |
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[35aface] | 108 | |
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[eddff027] | 109 | ## parameters with orientation |
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[96656e3] | 110 | self.orientation_params = ['axis_phi', 'axis_theta', 'axis_phi.width', 'axis_theta.width'] |
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[c7a7e1b] | 111 | |
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| 112 | def __setstate__(self, state): |
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| 113 | """ |
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| 114 | restore the state of a model from pickle |
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| 115 | """ |
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| 116 | self.__dict__, self.params, self.dispersion = state |
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| 117 | |
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[96656e3] | 118 | def __reduce_ex__(self, proto): |
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[79ac6f8] | 119 | """ |
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[96656e3] | 120 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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| 121 | c model. |
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[79ac6f8] | 122 | """ |
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[c7a7e1b] | 123 | state = (self.__dict__, self.params, self.dispersion) |
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| 124 | return (create_CoreShellEllipsoidModel,tuple(), state, None, None) |
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[fe9c19b4] | 125 | |
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[96656e3] | 126 | def clone(self): |
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| 127 | """ Return a identical copy of self """ |
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| 128 | return self._clone(CoreShellEllipsoidModel()) |
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[fe9c19b4] | 129 | |
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[eddff027] | 130 | |
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[79ac6f8] | 131 | def run(self, x=0.0): |
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| 132 | """ |
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| 133 | Evaluate the model |
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| 134 | |
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| 135 | :param x: input q, or [q,phi] |
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| 136 | |
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| 137 | :return: scattering function P(q) |
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| 138 | |
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[eddff027] | 139 | """ |
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| 140 | |
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| 141 | return CCoreShellEllipsoidModel.run(self, x) |
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| 142 | |
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[79ac6f8] | 143 | def runXY(self, x=0.0): |
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| 144 | """ |
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| 145 | Evaluate the model in cartesian coordinates |
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| 146 | |
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| 147 | :param x: input q, or [qx, qy] |
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| 148 | |
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| 149 | :return: scattering function P(q) |
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| 150 | |
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[eddff027] | 151 | """ |
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| 152 | |
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| 153 | return CCoreShellEllipsoidModel.runXY(self, x) |
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| 154 | |
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[79ac6f8] | 155 | def evalDistribution(self, x=[]): |
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| 156 | """ |
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| 157 | Evaluate the model in cartesian coordinates |
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| 158 | |
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| 159 | :param x: input q[], or [qx[], qy[]] |
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| 160 | |
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| 161 | :return: scattering function P(q[]) |
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| 162 | |
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[eddff027] | 163 | """ |
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[f9a1279] | 164 | return CCoreShellEllipsoidModel.evalDistribution(self, x) |
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[eddff027] | 165 | |
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[5eb9154] | 166 | def calculate_ER(self): |
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[79ac6f8] | 167 | """ |
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| 168 | Calculate the effective radius for P(q)*S(q) |
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| 169 | |
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| 170 | :return: the value of the effective radius |
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| 171 | |
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[5eb9154] | 172 | """ |
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| 173 | return CCoreShellEllipsoidModel.calculate_ER(self) |
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| 174 | |
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[eddff027] | 175 | def set_dispersion(self, parameter, dispersion): |
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| 176 | """ |
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[79ac6f8] | 177 | Set the dispersion object for a model parameter |
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| 178 | |
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| 179 | :param parameter: name of the parameter [string] |
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| 180 | :param dispersion: dispersion object of type DispersionModel |
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| 181 | |
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[eddff027] | 182 | """ |
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| 183 | return CCoreShellEllipsoidModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 184 | |
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| 185 | |
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| 186 | # End of file |
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