[ae3ce4e] | 1 | #!/usr/bin/env python |
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[95986b5] | 2 | """ |
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| 3 | This software was developed by the University of Tennessee as part of the |
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| 4 | Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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| 5 | project funded by the US National Science Foundation. |
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| 6 | |
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| 7 | If you use DANSE applications to do scientific research that leads to |
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| 8 | publication, we ask that you acknowledge the use of the software with the |
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| 9 | following sentence: |
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| 10 | |
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| 11 | "This work benefited from DANSE software developed under NSF award DMR-0520547." |
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| 12 | |
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| 13 | copyright 2008, University of Tennessee |
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| 14 | """ |
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| 15 | |
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[ae3ce4e] | 16 | """ Provide functionality for a C extension model |
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| 17 | |
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| 18 | WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
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[836fe6e] | 19 | DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\core_shell_cylinder.h |
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[ae3ce4e] | 20 | AND RE-RUN THE GENERATOR SCRIPT |
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| 21 | |
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| 22 | """ |
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| 23 | |
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| 24 | from sans.models.BaseComponent import BaseComponent |
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| 25 | from sans_extension.c_models import CCoreShellCylinderModel |
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| 26 | import copy |
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| 27 | |
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| 28 | class CoreShellCylinderModel(CCoreShellCylinderModel, BaseComponent): |
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| 29 | """ Class that evaluates a CoreShellCylinderModel model. |
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[836fe6e] | 30 | This file was auto-generated from ..\c_extensions\core_shell_cylinder.h. |
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[ae3ce4e] | 31 | Refer to that file and the structure it contains |
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| 32 | for details of the model. |
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| 33 | List of default parameters: |
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| 34 | scale = 1.0 |
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[1ed3834] | 35 | radius = 20.0 [A] |
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| 36 | thickness = 10.0 [A] |
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| 37 | length = 400.0 [A] |
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| 38 | core_sld = 1e-006 [1/A²] |
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| 39 | shell_sld = 4e-006 [1/A²] |
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| 40 | solvent_sld = 1e-006 [1/A²] |
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[0824909] | 41 | background = 0.0 [1/cm] |
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| 42 | axis_theta = 1.57 [rad] |
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| 43 | axis_phi = 0.0 [rad] |
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[ae3ce4e] | 44 | |
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| 45 | """ |
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| 46 | |
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| 47 | def __init__(self): |
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| 48 | """ Initialization """ |
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| 49 | |
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| 50 | # Initialize BaseComponent first, then sphere |
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| 51 | BaseComponent.__init__(self) |
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| 52 | CCoreShellCylinderModel.__init__(self) |
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| 53 | |
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| 54 | ## Name of the model |
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| 55 | self.name = "CoreShellCylinderModel" |
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[836fe6e] | 56 | ## Model description |
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[1ed3834] | 57 | self.description ="""P(q,alpha)= scale/Vs*f(q)^(2) + bkg, where: f(q)= 2(core_sld |
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| 58 | - solvant_sld)* Vc*sin[qLcos(alpha/2)] |
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| 59 | /[qLcos(alpha/2)]*J1(qRsin(alpha)) |
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| 60 | /[qRsin(alpha)]+2(shell_sld-solvent_sld) |
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| 61 | *Vs*sin[q(L+T)cos(alpha/2)][[q(L+T) |
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| 62 | *cos(alpha/2)]*J1(q(R+T)sin(alpha)) |
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| 63 | /q(R+T)sin(alpha)] |
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| 64 | |
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| 65 | alpha:is the angle between the axis of |
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| 66 | the cylinder and the q-vector |
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[9316609] | 67 | Vs: the volume of the outer shell |
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| 68 | Vc: the volume of the core |
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| 69 | L: the length of the core |
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[1ed3834] | 70 | shell_sld: the scattering length density |
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| 71 | of the shell |
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| 72 | solvent_sld: the scattering length density |
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| 73 | of the solvent |
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[9316609] | 74 | bkg: the background |
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| 75 | T: the thickness |
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| 76 | R+T: is the outer radius |
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| 77 | L+2T: The total length of the outershell |
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| 78 | J1: the first order Bessel function |
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| 79 | theta: axis_theta of the cylinder |
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[9bd69098] | 80 | phi: the axis_phi of the cylinder...""" |
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[836fe6e] | 81 | |
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[ae3ce4e] | 82 | ## Parameter details [units, min, max] |
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| 83 | self.details = {} |
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| 84 | self.details['scale'] = ['', None, None] |
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[1ed3834] | 85 | self.details['radius'] = ['[A]', None, None] |
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| 86 | self.details['thickness'] = ['[A]', None, None] |
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| 87 | self.details['length'] = ['[A]', None, None] |
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| 88 | self.details['core_sld'] = ['[1/A²]', None, None] |
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| 89 | self.details['shell_sld'] = ['[1/A²]', None, None] |
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| 90 | self.details['solvent_sld'] = ['[1/A²]', None, None] |
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[0824909] | 91 | self.details['background'] = ['[1/cm]', None, None] |
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| 92 | self.details['axis_theta'] = ['[rad]', None, None] |
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| 93 | self.details['axis_phi'] = ['[rad]', None, None] |
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[836fe6e] | 94 | |
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| 95 | ## fittable parameters |
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[9bd69098] | 96 | self.fixed=['axis_phi.width', 'axis_theta.width', 'length.width', 'radius.width', 'thickness.width'] |
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[25a608f5] | 97 | |
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| 98 | ## parameters with orientation |
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| 99 | self.orientation_params =['axis_phi', 'axis_theta', 'axis_phi.width', 'axis_theta.width'] |
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[ae3ce4e] | 100 | |
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| 101 | def clone(self): |
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| 102 | """ Return a identical copy of self """ |
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[95986b5] | 103 | return self._clone(CoreShellCylinderModel()) |
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[ae3ce4e] | 104 | |
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| 105 | def run(self, x = 0.0): |
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| 106 | """ Evaluate the model |
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| 107 | @param x: input q, or [q,phi] |
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| 108 | @return: scattering function P(q) |
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| 109 | """ |
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| 110 | |
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| 111 | return CCoreShellCylinderModel.run(self, x) |
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| 112 | |
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| 113 | def runXY(self, x = 0.0): |
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| 114 | """ Evaluate the model in cartesian coordinates |
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| 115 | @param x: input q, or [qx, qy] |
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| 116 | @return: scattering function P(q) |
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| 117 | """ |
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| 118 | |
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| 119 | return CCoreShellCylinderModel.runXY(self, x) |
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[95986b5] | 120 | |
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[9bd69098] | 121 | def evalDistribition(self, x = []): |
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| 122 | """ Evaluate the model in cartesian coordinates |
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| 123 | @param x: input q[], or [qx[], qy[]] |
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| 124 | @return: scattering function P(q[]) |
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| 125 | """ |
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| 126 | return CCoreShellCylinderModel.evalDistribition(self, x) |
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| 127 | |
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[5eb9154] | 128 | def calculate_ER(self): |
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| 129 | """ Calculate the effective radius for P(q)*S(q) |
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| 130 | @param x: input q, or [q,phi] |
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| 131 | @return: the value of the effective radius |
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| 132 | """ |
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| 133 | return CCoreShellCylinderModel.calculate_ER(self) |
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| 134 | |
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[95986b5] | 135 | def set_dispersion(self, parameter, dispersion): |
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| 136 | """ |
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| 137 | Set the dispersion object for a model parameter |
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| 138 | @param parameter: name of the parameter [string] |
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| 139 | @dispersion: dispersion object of type DispersionModel |
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| 140 | """ |
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| 141 | return CCoreShellCylinderModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 142 | |
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[ae3ce4e] | 143 | |
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| 144 | # End of file |
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