[35aface] | 1 | #!/usr/bin/env python |
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| 2 | |
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| 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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| 16 | |
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| 17 | |
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| 18 | """ |
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| 19 | Provide functionality for a C extension model |
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| 20 | |
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| 21 | :WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
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| 22 | DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\refl.h |
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| 23 | AND RE-RUN THE GENERATOR SCRIPT |
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| 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 CReflModel |
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| 29 | import copy |
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| 30 | |
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| 31 | class ReflModel(CReflModel, BaseComponent): |
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| 32 | """ |
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| 33 | Class that evaluates a ReflModel model. |
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| 34 | This file was auto-generated from ..\c_extensions\refl.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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| 38 | n_layers = 1.0 |
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| 39 | scale = 1.0 |
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| 40 | thick_inter0 = 1.0 [A] |
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| 41 | func_inter0 = 0.0 |
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| 42 | sld_sub0 = 2.07e-006 [1/A^(2)] |
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| 43 | sld_medium = 1e-006 [1/A^(2)] |
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| 44 | background = 0.0 |
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| 45 | sld_flat1 = 4e-006 [1/A^(2)] |
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| 46 | sld_flat2 = 3.5e-006 [1/A^(2)] |
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| 47 | sld_flat3 = 4e-006 [1/A^(2)] |
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| 48 | sld_flat4 = 3.5e-006 [1/A^(2)] |
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| 49 | sld_flat5 = 4e-006 [1/A^(2)] |
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| 50 | sld_flat6 = 3.5e-006 [1/A^(2)] |
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| 51 | sld_flat7 = 4e-006 [1/A^(2)] |
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| 52 | sld_flat8 = 3.5e-006 [1/A^(2)] |
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| 53 | sld_flat9 = 4e-006 [1/A^(2)] |
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| 54 | sld_flat10 = 3.5e-006 [1/A^(2)] |
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| 55 | thick_inter1 = 1.0 [A] |
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| 56 | thick_inter2 = 1.0 [A] |
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| 57 | thick_inter3 = 1.0 [A] |
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| 58 | thick_inter4 = 1.0 [A] |
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| 59 | thick_inter5 = 1.0 [A] |
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| 60 | thick_inter6 = 1.0 [A] |
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| 61 | thick_inter7 = 1.0 [A] |
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| 62 | thick_inter8 = 1.0 [A] |
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| 63 | thick_inter9 = 1.0 [A] |
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| 64 | thick_inter10 = 1.0 [A] |
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| 65 | thick_flat1 = 10.0 [A] |
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| 66 | thick_flat2 = 100.0 [A] |
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| 67 | thick_flat3 = 100.0 [A] |
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| 68 | thick_flat4 = 100.0 [A] |
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| 69 | thick_flat5 = 100.0 [A] |
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| 70 | thick_flat6 = 100.0 [A] |
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| 71 | thick_flat7 = 100.0 [A] |
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| 72 | thick_flat8 = 100.0 [A] |
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| 73 | thick_flat9 = 100.0 [A] |
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| 74 | thick_flat10 = 100.0 [A] |
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| 75 | func_inter1 = 0.0 |
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| 76 | func_inter2 = 0.0 |
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| 77 | func_inter3 = 0.0 |
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| 78 | func_inter4 = 0.0 |
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| 79 | func_inter5 = 0.0 |
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| 80 | func_inter6 = 0.0 |
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| 81 | func_inter7 = 0.0 |
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| 82 | func_inter8 = 0.0 |
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| 83 | func_inter9 = 0.0 |
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| 84 | func_inter10 = 0.0 |
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[339ce67] | 85 | sldIM_flat1 = 0.0 |
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| 86 | sldIM_flat2 = 0.0 |
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| 87 | sldIM_flat3 = 0.0 |
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| 88 | sldIM_flat4 = 0.0 |
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| 89 | sldIM_flat5 = 0.0 |
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| 90 | sldIM_flat6 = 0.0 |
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| 91 | sldIM_flat7 = 0.0 |
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| 92 | sldIM_flat8 = 0.0 |
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| 93 | sldIM_flat9 = 0.0 |
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| 94 | sldIM_flat10 = 0.0 |
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| 95 | sldIM_sub0 = 0.0 |
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| 96 | sldIM_medium = 0.0 |
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[35aface] | 97 | |
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| 98 | """ |
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| 99 | |
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| 100 | def __init__(self): |
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| 101 | """ Initialization """ |
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| 102 | |
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| 103 | # Initialize BaseComponent first, then sphere |
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| 104 | BaseComponent.__init__(self) |
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| 105 | CReflModel.__init__(self) |
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| 106 | |
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| 107 | ## Name of the model |
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| 108 | self.name = "ReflModel" |
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| 109 | ## Model description |
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| 110 | self.description ="""Form factor of mutishells normalized by the volume. Here each shell is described |
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| 111 | by an exponential function; |
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| 112 | I) |
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| 113 | For A_shell != 0, |
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| 114 | f(r) = B*exp(A_shell*(r-r_in)/thick_shell)+C |
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| 115 | where |
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| 116 | B=(sld_out-sld_in)/(exp(A_shell)-1) |
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| 117 | C=sld_in-B. |
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| 118 | Note that in the above case, |
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| 119 | the function becomes a linear function |
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| 120 | as A_shell --> 0+ or 0-. |
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| 121 | II) |
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| 122 | For the exact point of A_shell == 0, |
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| 123 | f(r) = sld_in ,i.e., it crosses over flat function |
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| 124 | Note that the 'sld_out' becaomes NULL in this case. |
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| 125 | |
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| 126 | background:background, |
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| 127 | rad_core: radius of sphere(core) |
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| 128 | thick_shell#:the thickness of the shell# |
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| 129 | sld_core: the SLD of the sphere |
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| 130 | sld_solv: the SLD of the solvent |
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| 131 | sld_shell: the SLD of the shell# |
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| 132 | A_shell#: the coefficient in the exponential function""" |
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| 133 | |
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| 134 | ## Parameter details [units, min, max] |
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| 135 | self.details = {} |
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| 136 | self.details['n_layers'] = ['', None, None] |
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| 137 | self.details['scale'] = ['', None, None] |
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| 138 | self.details['thick_inter0'] = ['[A]', None, None] |
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| 139 | self.details['func_inter0'] = ['', None, None] |
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| 140 | self.details['sld_sub0'] = ['[1/A^(2)]', None, None] |
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| 141 | self.details['sld_medium'] = ['[1/A^(2)]', None, None] |
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| 142 | self.details['background'] = ['', None, None] |
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| 143 | self.details['sld_flat1'] = ['[1/A^(2)]', None, None] |
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| 144 | self.details['sld_flat2'] = ['[1/A^(2)]', None, None] |
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| 145 | self.details['sld_flat3'] = ['[1/A^(2)]', None, None] |
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| 146 | self.details['sld_flat4'] = ['[1/A^(2)]', None, None] |
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| 147 | self.details['sld_flat5'] = ['[1/A^(2)]', None, None] |
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| 148 | self.details['sld_flat6'] = ['[1/A^(2)]', None, None] |
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| 149 | self.details['sld_flat7'] = ['[1/A^(2)]', None, None] |
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| 150 | self.details['sld_flat8'] = ['[1/A^(2)]', None, None] |
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| 151 | self.details['sld_flat9'] = ['[1/A^(2)]', None, None] |
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| 152 | self.details['sld_flat10'] = ['[1/A^(2)]', None, None] |
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| 153 | self.details['thick_inter1'] = ['[A]', None, None] |
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| 154 | self.details['thick_inter2'] = ['[A]', None, None] |
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| 155 | self.details['thick_inter3'] = ['[A]', None, None] |
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| 156 | self.details['thick_inter4'] = ['[A]', None, None] |
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| 157 | self.details['thick_inter5'] = ['[A]', None, None] |
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| 158 | self.details['thick_inter6'] = ['[A]', None, None] |
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| 159 | self.details['thick_inter7'] = ['[A]', None, None] |
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| 160 | self.details['thick_inter8'] = ['[A]', None, None] |
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| 161 | self.details['thick_inter9'] = ['[A]', None, None] |
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| 162 | self.details['thick_inter10'] = ['[A]', None, None] |
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| 163 | self.details['thick_flat1'] = ['[A]', None, None] |
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| 164 | self.details['thick_flat2'] = ['[A]', None, None] |
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| 165 | self.details['thick_flat3'] = ['[A]', None, None] |
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| 166 | self.details['thick_flat4'] = ['[A]', None, None] |
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| 167 | self.details['thick_flat5'] = ['[A]', None, None] |
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| 168 | self.details['thick_flat6'] = ['[A]', None, None] |
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| 169 | self.details['thick_flat7'] = ['[A]', None, None] |
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| 170 | self.details['thick_flat8'] = ['[A]', None, None] |
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| 171 | self.details['thick_flat9'] = ['[A]', None, None] |
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| 172 | self.details['thick_flat10'] = ['[A]', None, None] |
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| 173 | self.details['func_inter1'] = ['', None, None] |
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| 174 | self.details['func_inter2'] = ['', None, None] |
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| 175 | self.details['func_inter3'] = ['', None, None] |
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| 176 | self.details['func_inter4'] = ['', None, None] |
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| 177 | self.details['func_inter5'] = ['', None, None] |
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| 178 | self.details['func_inter6'] = ['', None, None] |
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| 179 | self.details['func_inter7'] = ['', None, None] |
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| 180 | self.details['func_inter8'] = ['', None, None] |
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| 181 | self.details['func_inter9'] = ['', None, None] |
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| 182 | self.details['func_inter10'] = ['', None, None] |
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[339ce67] | 183 | self.details['sldIM_flat1'] = ['', None, None] |
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| 184 | self.details['sldIM_flat2'] = ['', None, None] |
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| 185 | self.details['sldIM_flat3'] = ['', None, None] |
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| 186 | self.details['sldIM_flat4'] = ['', None, None] |
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| 187 | self.details['sldIM_flat5'] = ['', None, None] |
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| 188 | self.details['sldIM_flat6'] = ['', None, None] |
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| 189 | self.details['sldIM_flat7'] = ['', None, None] |
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| 190 | self.details['sldIM_flat8'] = ['', None, None] |
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| 191 | self.details['sldIM_flat9'] = ['', None, None] |
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| 192 | self.details['sldIM_flat10'] = ['', None, None] |
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| 193 | self.details['sldIM_sub0'] = ['', None, None] |
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| 194 | self.details['sldIM_medium'] = ['', None, None] |
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[35aface] | 195 | |
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| 196 | ## fittable parameters |
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| 197 | self.fixed=[] |
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| 198 | |
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| 199 | ## non-fittable parameters |
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| 200 | self.non_fittable=['n_layers', 'func_inter0', 'func_inter1', 'func_inter2', 'func_inter3', 'func_inter4', 'func_inter5', 'func_inter5', 'func_inter7', 'func_inter8', 'func_inter9', 'func_inter10'] |
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| 201 | |
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| 202 | ## parameters with orientation |
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| 203 | self.orientation_params =[] |
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| 204 | |
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| 205 | def clone(self): |
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| 206 | """ Return a identical copy of self """ |
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| 207 | return self._clone(ReflModel()) |
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| 208 | |
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| 209 | def __getstate__(self): |
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| 210 | """ |
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| 211 | return object state for pickling and copying |
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| 212 | """ |
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| 213 | model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log} |
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| 214 | |
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| 215 | return self.__dict__, model_state |
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| 216 | |
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| 217 | def __setstate__(self, state): |
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| 218 | """ |
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| 219 | create object from pickled state |
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| 220 | |
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| 221 | :param state: the state of the current model |
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| 222 | |
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| 223 | """ |
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| 224 | |
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| 225 | self.__dict__, model_state = state |
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| 226 | self.params = model_state['params'] |
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| 227 | self.dispersion = model_state['dispersion'] |
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| 228 | self.log = model_state['log'] |
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| 229 | |
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| 230 | |
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| 231 | def run(self, x=0.0): |
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| 232 | """ |
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| 233 | Evaluate the model |
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| 234 | |
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| 235 | :param x: input q, or [q,phi] |
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| 236 | |
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| 237 | :return: scattering function P(q) |
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| 238 | |
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| 239 | """ |
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| 240 | |
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| 241 | return CReflModel.run(self, x) |
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| 242 | |
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| 243 | def runXY(self, x=0.0): |
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| 244 | """ |
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| 245 | Evaluate the model in cartesian coordinates |
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| 246 | |
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| 247 | :param x: input q, or [qx, qy] |
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| 248 | |
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| 249 | :return: scattering function P(q) |
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| 250 | |
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| 251 | """ |
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| 252 | |
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| 253 | return CReflModel.runXY(self, x) |
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| 254 | |
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| 255 | def evalDistribution(self, x=[]): |
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| 256 | """ |
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| 257 | Evaluate the model in cartesian coordinates |
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| 258 | |
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| 259 | :param x: input q[], or [qx[], qy[]] |
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| 260 | |
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| 261 | :return: scattering function P(q[]) |
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| 262 | |
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| 263 | """ |
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| 264 | return CReflModel.evalDistribution(self, x) |
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| 265 | |
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| 266 | def calculate_ER(self): |
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| 267 | """ |
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| 268 | Calculate the effective radius for P(q)*S(q) |
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| 269 | |
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| 270 | :return: the value of the effective radius |
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| 271 | |
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| 272 | """ |
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| 273 | return CReflModel.calculate_ER(self) |
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| 274 | |
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| 275 | def set_dispersion(self, parameter, dispersion): |
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| 276 | """ |
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| 277 | Set the dispersion object for a model parameter |
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| 278 | |
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| 279 | :param parameter: name of the parameter [string] |
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| 280 | :param dispersion: dispersion object of type DispersionModel |
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| 281 | |
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| 282 | """ |
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| 283 | return CReflModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 284 | |
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| 285 | |
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| 286 | # End of file |
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