[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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[96656e3] | 30 | |
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| 31 | def create_CoreShellCylinderModel(): |
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| 32 | obj = CoreShellCylinderModel() |
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| 33 | #CCoreShellCylinderModel.__init__(obj) is called by CoreShellCylinderModel constructor |
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| 34 | return obj |
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| 35 | |
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[ae3ce4e] | 36 | class CoreShellCylinderModel(CCoreShellCylinderModel, BaseComponent): |
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[79ac6f8] | 37 | """ |
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| 38 | Class that evaluates a CoreShellCylinderModel model. |
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| 39 | This file was auto-generated from ..\c_extensions\core_shell_cylinder.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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[ae3ce4e] | 43 | scale = 1.0 |
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[1ed3834] | 44 | radius = 20.0 [A] |
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| 45 | thickness = 10.0 [A] |
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| 46 | length = 400.0 [A] |
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[27972c1d] | 47 | core_sld = 1e-006 [1/A^(2)] |
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| 48 | shell_sld = 4e-006 [1/A^(2)] |
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| 49 | solvent_sld = 1e-006 [1/A^(2)] |
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[0824909] | 50 | background = 0.0 [1/cm] |
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[4628e31] | 51 | axis_theta = 90.0 [deg] |
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| 52 | axis_phi = 0.0 [deg] |
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[ae3ce4e] | 53 | |
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| 54 | """ |
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| 55 | |
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| 56 | def __init__(self): |
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| 57 | """ Initialization """ |
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| 58 | |
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| 59 | # Initialize BaseComponent first, then sphere |
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| 60 | BaseComponent.__init__(self) |
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[96656e3] | 61 | #apply(CCoreShellCylinderModel.__init__, (self,)) |
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[ae3ce4e] | 62 | CCoreShellCylinderModel.__init__(self) |
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| 63 | |
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| 64 | ## Name of the model |
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| 65 | self.name = "CoreShellCylinderModel" |
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[836fe6e] | 66 | ## Model description |
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[1ed3834] | 67 | self.description ="""P(q,alpha)= scale/Vs*f(q)^(2) + bkg, where: f(q)= 2(core_sld |
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| 68 | - solvant_sld)* Vc*sin[qLcos(alpha/2)] |
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| 69 | /[qLcos(alpha/2)]*J1(qRsin(alpha)) |
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| 70 | /[qRsin(alpha)]+2(shell_sld-solvent_sld) |
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| 71 | *Vs*sin[q(L+T)cos(alpha/2)][[q(L+T) |
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| 72 | *cos(alpha/2)]*J1(q(R+T)sin(alpha)) |
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| 73 | /q(R+T)sin(alpha)] |
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| 74 | |
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| 75 | alpha:is the angle between the axis of |
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| 76 | the cylinder and the q-vector |
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[9316609] | 77 | Vs: the volume of the outer shell |
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| 78 | Vc: the volume of the core |
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| 79 | L: the length of the core |
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[1ed3834] | 80 | shell_sld: the scattering length density |
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| 81 | of the shell |
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| 82 | solvent_sld: the scattering length density |
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| 83 | of the solvent |
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[9316609] | 84 | bkg: the background |
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| 85 | T: the thickness |
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| 86 | R+T: is the outer radius |
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| 87 | L+2T: The total length of the outershell |
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| 88 | J1: the first order Bessel function |
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| 89 | theta: axis_theta of the cylinder |
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[9bd69098] | 90 | phi: the axis_phi of the cylinder...""" |
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[836fe6e] | 91 | |
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[fe9c19b4] | 92 | ## Parameter details [units, min, max] |
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[ae3ce4e] | 93 | self.details = {} |
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| 94 | self.details['scale'] = ['', None, None] |
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[1ed3834] | 95 | self.details['radius'] = ['[A]', None, None] |
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| 96 | self.details['thickness'] = ['[A]', None, None] |
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| 97 | self.details['length'] = ['[A]', None, None] |
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[27972c1d] | 98 | self.details['core_sld'] = ['[1/A^(2)]', None, None] |
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| 99 | self.details['shell_sld'] = ['[1/A^(2)]', None, None] |
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| 100 | self.details['solvent_sld'] = ['[1/A^(2)]', None, None] |
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[0824909] | 101 | self.details['background'] = ['[1/cm]', None, None] |
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[4628e31] | 102 | self.details['axis_theta'] = ['[deg]', None, None] |
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| 103 | self.details['axis_phi'] = ['[deg]', None, None] |
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[836fe6e] | 104 | |
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[fe9c19b4] | 105 | ## fittable parameters |
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[9bd69098] | 106 | self.fixed=['axis_phi.width', 'axis_theta.width', 'length.width', 'radius.width', 'thickness.width'] |
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[25a608f5] | 107 | |
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[35aface] | 108 | ## non-fittable parameters |
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[96656e3] | 109 | self.non_fittable = [] |
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[35aface] | 110 | |
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[25a608f5] | 111 | ## parameters with orientation |
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[96656e3] | 112 | self.orientation_params = ['axis_phi', 'axis_theta', 'axis_phi.width', 'axis_theta.width'] |
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[c7a7e1b] | 113 | |
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| 114 | def __setstate__(self, state): |
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| 115 | """ |
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| 116 | restore the state of a model from pickle |
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| 117 | """ |
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| 118 | self.__dict__, self.params, self.dispersion = state |
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| 119 | |
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[96656e3] | 120 | def __reduce_ex__(self, proto): |
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[79ac6f8] | 121 | """ |
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[96656e3] | 122 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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| 123 | c model. |
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[79ac6f8] | 124 | """ |
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[c7a7e1b] | 125 | state = (self.__dict__, self.params, self.dispersion) |
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| 126 | return (create_CoreShellCylinderModel,tuple(), state, None, None) |
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[fe9c19b4] | 127 | |
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[96656e3] | 128 | def clone(self): |
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| 129 | """ Return a identical copy of self """ |
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| 130 | return self._clone(CoreShellCylinderModel()) |
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[fe9c19b4] | 131 | |
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[ae3ce4e] | 132 | |
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[79ac6f8] | 133 | def run(self, x=0.0): |
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| 134 | """ |
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| 135 | Evaluate the model |
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| 136 | |
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| 137 | :param x: input q, or [q,phi] |
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| 138 | |
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| 139 | :return: scattering function P(q) |
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| 140 | |
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[ae3ce4e] | 141 | """ |
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| 142 | |
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| 143 | return CCoreShellCylinderModel.run(self, x) |
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| 144 | |
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[79ac6f8] | 145 | def runXY(self, x=0.0): |
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| 146 | """ |
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| 147 | Evaluate the model in cartesian coordinates |
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| 148 | |
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| 149 | :param x: input q, or [qx, qy] |
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| 150 | |
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| 151 | :return: scattering function P(q) |
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| 152 | |
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[ae3ce4e] | 153 | """ |
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| 154 | |
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| 155 | return CCoreShellCylinderModel.runXY(self, x) |
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[95986b5] | 156 | |
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[79ac6f8] | 157 | def evalDistribution(self, x=[]): |
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| 158 | """ |
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| 159 | Evaluate the model in cartesian coordinates |
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| 160 | |
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| 161 | :param x: input q[], or [qx[], qy[]] |
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| 162 | |
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| 163 | :return: scattering function P(q[]) |
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| 164 | |
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[9bd69098] | 165 | """ |
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[f9a1279] | 166 | return CCoreShellCylinderModel.evalDistribution(self, x) |
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[9bd69098] | 167 | |
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[5eb9154] | 168 | def calculate_ER(self): |
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[79ac6f8] | 169 | """ |
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| 170 | Calculate the effective radius for P(q)*S(q) |
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| 171 | |
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| 172 | :return: the value of the effective radius |
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| 173 | |
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[5eb9154] | 174 | """ |
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| 175 | return CCoreShellCylinderModel.calculate_ER(self) |
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| 176 | |
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[95986b5] | 177 | def set_dispersion(self, parameter, dispersion): |
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| 178 | """ |
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[79ac6f8] | 179 | Set the dispersion object for a model parameter |
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| 180 | |
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| 181 | :param parameter: name of the parameter [string] |
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| 182 | :param dispersion: dispersion object of type DispersionModel |
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| 183 | |
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[95986b5] | 184 | """ |
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| 185 | return CCoreShellCylinderModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 186 | |
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[ae3ce4e] | 187 | |
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| 188 | # End of file |
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