[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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[b1c3295] | 22 | DO NOT MODIFY THIS FILE, MODIFY ../c_extensions/core_shell.h |
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[79ac6f8] | 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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[92df66f8] | 28 | from sans.models.sans_extension.c_models import CCoreShellModel |
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[ae3ce4e] | 29 | import copy |
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[96656e3] | 30 | |
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| 31 | def create_CoreShellModel(): |
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| 32 | obj = CoreShellModel() |
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| 33 | #CCoreShellModel.__init__(obj) is called by CoreShellModel constructor |
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| 34 | return obj |
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| 35 | |
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[ae3ce4e] | 36 | class CoreShellModel(CCoreShellModel, BaseComponent): |
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[79ac6f8] | 37 | """ |
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| 38 | Class that evaluates a CoreShellModel model. |
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[b1c3295] | 39 | This file was auto-generated from ../c_extensions/core_shell.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 | radius = 60.0 [A] |
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| 45 | thickness = 10.0 [A] |
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| 46 | core_sld = 1e-06 [1/A^(2)] |
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| 47 | shell_sld = 2e-06 [1/A^(2)] |
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| 48 | solvent_sld = 3e-06 [1/A^(2)] |
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| 49 | background = 0.0 [1/cm] |
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[ae3ce4e] | 50 | |
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| 51 | """ |
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| 52 | |
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| 53 | def __init__(self): |
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| 54 | """ Initialization """ |
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| 55 | |
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| 56 | # Initialize BaseComponent first, then sphere |
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| 57 | BaseComponent.__init__(self) |
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[96656e3] | 58 | #apply(CCoreShellModel.__init__, (self,)) |
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[ae3ce4e] | 59 | CCoreShellModel.__init__(self) |
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| 60 | |
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| 61 | ## Name of the model |
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| 62 | self.name = "CoreShellModel" |
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[836fe6e] | 63 | ## Model description |
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[b1c3295] | 64 | self.description ="""Form factor for a monodisperse spherical particle with particle |
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| 65 | with a core-shell structure: |
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| 66 | |
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| 67 | The form factor is normalized by the |
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| 68 | total particle volume. |
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| 69 | |
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| 70 | radius: core radius, thickness: shell thickness |
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| 71 | |
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| 72 | Ref: Guinier, A. and G. Fournet, |
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[369e492e] | 73 | John Wiley and Sons, New York, 1955.""" |
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[836fe6e] | 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['radius'] = ['[A]', None, None] |
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| 79 | self.details['thickness'] = ['[A]', None, None] |
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| 80 | self.details['core_sld'] = ['[1/A^(2)]', None, None] |
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| 81 | self.details['shell_sld'] = ['[1/A^(2)]', None, None] |
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| 82 | self.details['solvent_sld'] = ['[1/A^(2)]', None, None] |
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| 83 | self.details['background'] = ['[1/cm]', None, None] |
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[836fe6e] | 84 | |
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[fe9c19b4] | 85 | ## fittable parameters |
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[836fe6e] | 86 | self.fixed=['thickness.width', 'radius.width'] |
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[25a608f5] | 87 | |
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[35aface] | 88 | ## non-fittable parameters |
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[96656e3] | 89 | self.non_fittable = [] |
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[35aface] | 90 | |
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[25a608f5] | 91 | ## parameters with orientation |
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[96656e3] | 92 | self.orientation_params = [] |
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[c7a7e1b] | 93 | |
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| 94 | def __setstate__(self, state): |
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| 95 | """ |
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| 96 | restore the state of a model from pickle |
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| 97 | """ |
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| 98 | self.__dict__, self.params, self.dispersion = state |
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| 99 | |
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[96656e3] | 100 | def __reduce_ex__(self, proto): |
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[79ac6f8] | 101 | """ |
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[96656e3] | 102 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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| 103 | c model. |
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[79ac6f8] | 104 | """ |
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[c7a7e1b] | 105 | state = (self.__dict__, self.params, self.dispersion) |
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| 106 | return (create_CoreShellModel,tuple(), state, None, None) |
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[fe9c19b4] | 107 | |
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[96656e3] | 108 | def clone(self): |
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| 109 | """ Return a identical copy of self """ |
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| 110 | return self._clone(CoreShellModel()) |
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[fe9c19b4] | 111 | |
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[ae3ce4e] | 112 | |
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[79ac6f8] | 113 | def run(self, x=0.0): |
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| 114 | """ |
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| 115 | Evaluate the model |
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| 116 | |
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| 117 | :param x: input q, or [q,phi] |
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| 118 | |
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| 119 | :return: scattering function P(q) |
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| 120 | |
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[ae3ce4e] | 121 | """ |
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| 122 | |
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| 123 | return CCoreShellModel.run(self, x) |
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| 124 | |
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[79ac6f8] | 125 | def runXY(self, x=0.0): |
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| 126 | """ |
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| 127 | Evaluate the model in cartesian coordinates |
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| 128 | |
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| 129 | :param x: input q, or [qx, qy] |
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| 130 | |
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| 131 | :return: scattering function P(q) |
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| 132 | |
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[ae3ce4e] | 133 | """ |
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| 134 | |
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| 135 | return CCoreShellModel.runXY(self, x) |
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[95986b5] | 136 | |
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[79ac6f8] | 137 | def evalDistribution(self, x=[]): |
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| 138 | """ |
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| 139 | Evaluate the model in cartesian coordinates |
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| 140 | |
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| 141 | :param x: input q[], or [qx[], qy[]] |
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| 142 | |
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| 143 | :return: scattering function P(q[]) |
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| 144 | |
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[9bd69098] | 145 | """ |
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[f9a1279] | 146 | return CCoreShellModel.evalDistribution(self, x) |
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[9bd69098] | 147 | |
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[5eb9154] | 148 | def calculate_ER(self): |
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[79ac6f8] | 149 | """ |
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| 150 | Calculate the effective radius for P(q)*S(q) |
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| 151 | |
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| 152 | :return: the value of the effective radius |
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| 153 | |
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[5eb9154] | 154 | """ |
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| 155 | return CCoreShellModel.calculate_ER(self) |
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| 156 | |
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[95986b5] | 157 | def set_dispersion(self, parameter, dispersion): |
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| 158 | """ |
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[79ac6f8] | 159 | Set the dispersion object for a model parameter |
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| 160 | |
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| 161 | :param parameter: name of the parameter [string] |
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| 162 | :param dispersion: dispersion object of type DispersionModel |
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| 163 | |
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[95986b5] | 164 | """ |
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| 165 | return CCoreShellModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 166 | |
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[ae3ce4e] | 167 | |
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[b1c3295] | 168 | # End of file |
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