[2c4b289] | 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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[2c4b289] | 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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[2c4b289] | 20 | |
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[79ac6f8] | 21 | :WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
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[b1c3295] | 22 | DO NOT MODIFY THIS FILE, MODIFY ../c_extensions/multishell.h |
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[79ac6f8] | 23 | AND RE-RUN THE GENERATOR SCRIPT |
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[2c4b289] | 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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[92df66f8] | 28 | from sans.models.sans_extension.c_models import CMultiShellModel |
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[2c4b289] | 29 | import copy |
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[96656e3] | 30 | |
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| 31 | def create_MultiShellModel(): |
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| 32 | obj = MultiShellModel() |
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| 33 | #CMultiShellModel.__init__(obj) is called by MultiShellModel constructor |
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| 34 | return obj |
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| 35 | |
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[2c4b289] | 36 | class MultiShellModel(CMultiShellModel, BaseComponent): |
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[79ac6f8] | 37 | """ |
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| 38 | Class that evaluates a MultiShellModel model. |
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[b1c3295] | 39 | This file was auto-generated from ../c_extensions/multishell.h. |
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[79ac6f8] | 40 | Refer to that file and the structure it contains |
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| 41 | for details of the model. |
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[b1c3295] | 42 | List of default parameters: |
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| 43 | scale = 1.0 |
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| 44 | core_radius = 60.0 [A] |
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| 45 | s_thickness = 10.0 [A] |
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| 46 | w_thickness = 10.0 [A] |
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| 47 | core_sld = 6.4e-06 [1/A^(2)] |
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| 48 | shell_sld = 4e-07 [1/A^(2)] |
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| 49 | n_pairs = 2.0 |
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| 50 | background = 0.0 [1/cm] |
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[2c4b289] | 51 | |
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| 52 | """ |
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| 53 | |
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| 54 | def __init__(self): |
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| 55 | """ Initialization """ |
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| 56 | |
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| 57 | # Initialize BaseComponent first, then sphere |
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| 58 | BaseComponent.__init__(self) |
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[96656e3] | 59 | #apply(CMultiShellModel.__init__, (self,)) |
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[2c4b289] | 60 | CMultiShellModel.__init__(self) |
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| 61 | |
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| 62 | ## Name of the model |
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| 63 | self.name = "MultiShellModel" |
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| 64 | ## Model description |
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[b1c3295] | 65 | self.description =""" MultiShell (Sphere) Model (or Multilamellar Vesicles): Model parameters; |
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| 66 | scale : scale factor |
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| 67 | core_radius : Core radius of the multishell |
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| 68 | s_thickness: shell thickness |
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| 69 | w_thickness: water thickness |
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| 70 | core_sld: core scattering length density |
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| 71 | shell_sld: shell scattering length density |
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| 72 | n_pairs:number of pairs of water/shell |
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[2c4b289] | 73 | background: incoherent background""" |
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| 74 | |
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[b1c3295] | 75 | ## Parameter details [units, min, max] |
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| 76 | self.details = {} |
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| 77 | self.details['scale'] = ['', None, None] |
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| 78 | self.details['core_radius'] = ['[A]', None, None] |
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| 79 | self.details['s_thickness'] = ['[A]', None, None] |
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| 80 | self.details['w_thickness'] = ['[A]', None, None] |
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| 81 | self.details['core_sld'] = ['[1/A^(2)]', None, None] |
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| 82 | self.details['shell_sld'] = ['[1/A^(2)]', None, None] |
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| 83 | self.details['n_pairs'] = ['', None, None] |
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| 84 | self.details['background'] = ['[1/cm]', None, None] |
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[2c4b289] | 85 | |
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[fe9c19b4] | 86 | ## fittable parameters |
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[2cc633b] | 87 | self.fixed=['core_radius.width', 's_thickness.width', 'w_thickness.width'] |
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[2c4b289] | 88 | |
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[35aface] | 89 | ## non-fittable parameters |
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[96656e3] | 90 | self.non_fittable = [] |
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[35aface] | 91 | |
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[2c4b289] | 92 | ## parameters with orientation |
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[96656e3] | 93 | self.orientation_params = [] |
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[c7a7e1b] | 94 | |
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| 95 | def __setstate__(self, state): |
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| 96 | """ |
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| 97 | restore the state of a model from pickle |
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| 98 | """ |
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| 99 | self.__dict__, self.params, self.dispersion = state |
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| 100 | |
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[96656e3] | 101 | def __reduce_ex__(self, proto): |
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[79ac6f8] | 102 | """ |
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[96656e3] | 103 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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| 104 | c model. |
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[79ac6f8] | 105 | """ |
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[c7a7e1b] | 106 | state = (self.__dict__, self.params, self.dispersion) |
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| 107 | return (create_MultiShellModel,tuple(), state, None, None) |
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[fe9c19b4] | 108 | |
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[96656e3] | 109 | def clone(self): |
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| 110 | """ Return a identical copy of self """ |
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| 111 | return self._clone(MultiShellModel()) |
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[fe9c19b4] | 112 | |
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[2c4b289] | 113 | |
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[79ac6f8] | 114 | def run(self, x=0.0): |
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| 115 | """ |
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| 116 | Evaluate the model |
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| 117 | |
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| 118 | :param x: input q, or [q,phi] |
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| 119 | |
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| 120 | :return: scattering function P(q) |
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| 121 | |
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[2c4b289] | 122 | """ |
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| 123 | |
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| 124 | return CMultiShellModel.run(self, x) |
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| 125 | |
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[79ac6f8] | 126 | def runXY(self, x=0.0): |
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| 127 | """ |
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| 128 | Evaluate the model in cartesian coordinates |
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| 129 | |
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| 130 | :param x: input q, or [qx, qy] |
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| 131 | |
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| 132 | :return: scattering function P(q) |
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| 133 | |
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[2c4b289] | 134 | """ |
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| 135 | |
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| 136 | return CMultiShellModel.runXY(self, x) |
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| 137 | |
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[79ac6f8] | 138 | def evalDistribution(self, x=[]): |
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| 139 | """ |
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| 140 | Evaluate the model in cartesian coordinates |
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| 141 | |
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| 142 | :param x: input q[], or [qx[], qy[]] |
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| 143 | |
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| 144 | :return: scattering function P(q[]) |
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| 145 | |
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[9bd69098] | 146 | """ |
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[f9a1279] | 147 | return CMultiShellModel.evalDistribution(self, x) |
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[9bd69098] | 148 | |
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[5eb9154] | 149 | def calculate_ER(self): |
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[79ac6f8] | 150 | """ |
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| 151 | Calculate the effective radius for P(q)*S(q) |
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| 152 | |
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| 153 | :return: the value of the effective radius |
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| 154 | |
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[5eb9154] | 155 | """ |
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| 156 | return CMultiShellModel.calculate_ER(self) |
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| 157 | |
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[2c4b289] | 158 | def set_dispersion(self, parameter, dispersion): |
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| 159 | """ |
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[79ac6f8] | 160 | Set the dispersion object for a model parameter |
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| 161 | |
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| 162 | :param parameter: name of the parameter [string] |
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| 163 | :param dispersion: dispersion object of type DispersionModel |
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| 164 | |
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[2c4b289] | 165 | """ |
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| 166 | return CMultiShellModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 167 | |
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| 168 | |
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[b1c3295] | 169 | # End of file |
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