[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\core_shell_cylinder.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 CCoreShellCylinderModel |
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| 29 | import copy |
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| 30 | |
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| 31 | class CoreShellCylinderModel(CCoreShellCylinderModel, BaseComponent): |
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[79ac6f8] | 32 | """ |
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| 33 | Class that evaluates a CoreShellCylinderModel model. |
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| 34 | This file was auto-generated from ..\c_extensions\core_shell_cylinder.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 = 20.0 [A] |
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| 40 | thickness = 10.0 [A] |
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| 41 | length = 400.0 [A] |
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[27972c1d] | 42 | core_sld = 1e-006 [1/A^(2)] |
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| 43 | shell_sld = 4e-006 [1/A^(2)] |
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| 44 | solvent_sld = 1e-006 [1/A^(2)] |
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[0824909] | 45 | background = 0.0 [1/cm] |
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[4628e31] | 46 | axis_theta = 90.0 [deg] |
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| 47 | axis_phi = 0.0 [deg] |
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[ae3ce4e] | 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 | CCoreShellCylinderModel.__init__(self) |
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| 57 | |
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| 58 | ## Name of the model |
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| 59 | self.name = "CoreShellCylinderModel" |
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[836fe6e] | 60 | ## Model description |
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[1ed3834] | 61 | self.description ="""P(q,alpha)= scale/Vs*f(q)^(2) + bkg, where: f(q)= 2(core_sld |
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| 62 | - solvant_sld)* Vc*sin[qLcos(alpha/2)] |
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| 63 | /[qLcos(alpha/2)]*J1(qRsin(alpha)) |
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| 64 | /[qRsin(alpha)]+2(shell_sld-solvent_sld) |
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| 65 | *Vs*sin[q(L+T)cos(alpha/2)][[q(L+T) |
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| 66 | *cos(alpha/2)]*J1(q(R+T)sin(alpha)) |
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| 67 | /q(R+T)sin(alpha)] |
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| 68 | |
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| 69 | alpha:is the angle between the axis of |
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| 70 | the cylinder and the q-vector |
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[9316609] | 71 | Vs: the volume of the outer shell |
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| 72 | Vc: the volume of the core |
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| 73 | L: the length of the core |
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[1ed3834] | 74 | shell_sld: the scattering length density |
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| 75 | of the shell |
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| 76 | solvent_sld: the scattering length density |
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| 77 | of the solvent |
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[9316609] | 78 | bkg: the background |
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| 79 | T: the thickness |
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| 80 | R+T: is the outer radius |
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| 81 | L+2T: The total length of the outershell |
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| 82 | J1: the first order Bessel function |
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| 83 | theta: axis_theta of the cylinder |
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[9bd69098] | 84 | phi: the axis_phi of the cylinder...""" |
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[836fe6e] | 85 | |
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[fe9c19b4] | 86 | ## Parameter details [units, min, max] |
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[ae3ce4e] | 87 | self.details = {} |
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| 88 | self.details['scale'] = ['', None, None] |
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[1ed3834] | 89 | self.details['radius'] = ['[A]', None, None] |
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| 90 | self.details['thickness'] = ['[A]', None, None] |
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| 91 | self.details['length'] = ['[A]', None, None] |
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[27972c1d] | 92 | self.details['core_sld'] = ['[1/A^(2)]', None, None] |
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| 93 | self.details['shell_sld'] = ['[1/A^(2)]', None, None] |
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| 94 | self.details['solvent_sld'] = ['[1/A^(2)]', None, None] |
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[0824909] | 95 | self.details['background'] = ['[1/cm]', None, None] |
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[4628e31] | 96 | self.details['axis_theta'] = ['[deg]', None, None] |
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| 97 | self.details['axis_phi'] = ['[deg]', None, None] |
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[836fe6e] | 98 | |
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[fe9c19b4] | 99 | ## fittable parameters |
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[9bd69098] | 100 | self.fixed=['axis_phi.width', 'axis_theta.width', 'length.width', 'radius.width', 'thickness.width'] |
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[25a608f5] | 101 | |
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[35aface] | 102 | ## non-fittable parameters |
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| 103 | self.non_fittable=[] |
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| 104 | |
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[25a608f5] | 105 | ## parameters with orientation |
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| 106 | self.orientation_params =['axis_phi', 'axis_theta', 'axis_phi.width', 'axis_theta.width'] |
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[ae3ce4e] | 107 | |
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| 108 | def clone(self): |
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| 109 | """ Return a identical copy of self """ |
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[95986b5] | 110 | return self._clone(CoreShellCylinderModel()) |
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[fe9c19b4] | 111 | |
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| 112 | def __getstate__(self): |
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[79ac6f8] | 113 | """ |
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| 114 | return object state for pickling and copying |
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| 115 | """ |
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[fe9c19b4] | 116 | model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log} |
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| 117 | |
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| 118 | return self.__dict__, model_state |
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| 119 | |
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| 120 | def __setstate__(self, state): |
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[79ac6f8] | 121 | """ |
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| 122 | create object from pickled state |
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| 123 | |
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| 124 | :param state: the state of the current model |
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| 125 | |
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| 126 | """ |
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[fe9c19b4] | 127 | |
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| 128 | self.__dict__, model_state = state |
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| 129 | self.params = model_state['params'] |
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| 130 | self.dispersion = model_state['dispersion'] |
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| 131 | self.log = model_state['log'] |
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| 132 | |
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[ae3ce4e] | 133 | |
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[79ac6f8] | 134 | def run(self, x=0.0): |
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| 135 | """ |
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| 136 | Evaluate the model |
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| 137 | |
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| 138 | :param x: input q, or [q,phi] |
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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 CCoreShellCylinderModel.run(self, x) |
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| 145 | |
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[79ac6f8] | 146 | def runXY(self, x=0.0): |
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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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[ae3ce4e] | 154 | """ |
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| 155 | |
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| 156 | return CCoreShellCylinderModel.runXY(self, x) |
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[95986b5] | 157 | |
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[79ac6f8] | 158 | def evalDistribution(self, x=[]): |
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| 159 | """ |
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| 160 | Evaluate the model in cartesian coordinates |
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| 161 | |
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| 162 | :param x: input q[], or [qx[], qy[]] |
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| 163 | |
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| 164 | :return: scattering function P(q[]) |
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| 165 | |
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[9bd69098] | 166 | """ |
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[f9a1279] | 167 | return CCoreShellCylinderModel.evalDistribution(self, x) |
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[9bd69098] | 168 | |
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[5eb9154] | 169 | def calculate_ER(self): |
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[79ac6f8] | 170 | """ |
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| 171 | Calculate the effective radius for P(q)*S(q) |
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| 172 | |
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| 173 | :return: the value of the effective radius |
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| 174 | |
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[5eb9154] | 175 | """ |
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| 176 | return CCoreShellCylinderModel.calculate_ER(self) |
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| 177 | |
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[95986b5] | 178 | def set_dispersion(self, parameter, dispersion): |
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| 179 | """ |
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[79ac6f8] | 180 | Set the dispersion object for a model parameter |
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| 181 | |
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| 182 | :param parameter: name of the parameter [string] |
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| 183 | :param dispersion: dispersion object of type DispersionModel |
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| 184 | |
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[95986b5] | 185 | """ |
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| 186 | return CCoreShellCylinderModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 187 | |
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[ae3ce4e] | 188 | |
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| 189 | # End of file |
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