[ae3ce4e] | 1 | #!/usr/bin/env python |
---|
[95986b5] | 2 | |
---|
[79ac6f8] | 3 | ############################################################################## |
---|
| 4 | # This software was developed by the University of Tennessee as part of the |
---|
| 5 | # Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
---|
| 6 | # project funded by the US National Science Foundation. |
---|
| 7 | # |
---|
| 8 | # If you use DANSE applications to do scientific research that leads to |
---|
| 9 | # publication, we ask that you acknowledge the use of the software with the |
---|
| 10 | # following sentence: |
---|
| 11 | # |
---|
| 12 | # "This work benefited from DANSE software developed under NSF award DMR-0520547." |
---|
| 13 | # |
---|
| 14 | # copyright 2008, University of Tennessee |
---|
| 15 | ############################################################################## |
---|
[95986b5] | 16 | |
---|
| 17 | |
---|
[79ac6f8] | 18 | """ |
---|
| 19 | Provide functionality for a C extension model |
---|
[ae3ce4e] | 20 | |
---|
[79ac6f8] | 21 | :WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
---|
| 22 | DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\core_shell.h |
---|
| 23 | AND RE-RUN THE GENERATOR SCRIPT |
---|
[ae3ce4e] | 24 | |
---|
| 25 | """ |
---|
| 26 | |
---|
| 27 | from sans.models.BaseComponent import BaseComponent |
---|
| 28 | from sans_extension.c_models import CCoreShellModel |
---|
| 29 | import copy |
---|
| 30 | |
---|
| 31 | class CoreShellModel(CCoreShellModel, BaseComponent): |
---|
[79ac6f8] | 32 | """ |
---|
| 33 | Class that evaluates a CoreShellModel model. |
---|
| 34 | This file was auto-generated from ..\c_extensions\core_shell.h. |
---|
| 35 | Refer to that file and the structure it contains |
---|
| 36 | for details of the model. |
---|
| 37 | List of default parameters: |
---|
[ae3ce4e] | 38 | scale = 1.0 |
---|
[1ed3834] | 39 | radius = 60.0 [A] |
---|
| 40 | thickness = 10.0 [A] |
---|
[27972c1d] | 41 | core_sld = 1e-006 [1/A^(2)] |
---|
| 42 | shell_sld = 2e-006 [1/A^(2)] |
---|
| 43 | solvent_sld = 3e-006 [1/A^(2)] |
---|
[0824909] | 44 | background = 0.0 [1/cm] |
---|
[ae3ce4e] | 45 | |
---|
| 46 | """ |
---|
| 47 | |
---|
| 48 | def __init__(self): |
---|
| 49 | """ Initialization """ |
---|
| 50 | |
---|
| 51 | # Initialize BaseComponent first, then sphere |
---|
| 52 | BaseComponent.__init__(self) |
---|
| 53 | CCoreShellModel.__init__(self) |
---|
| 54 | |
---|
| 55 | ## Name of the model |
---|
| 56 | self.name = "CoreShellModel" |
---|
[836fe6e] | 57 | ## Model description |
---|
[1ed3834] | 58 | self.description ="""Form factor for a monodisperse spherical particle with particle |
---|
| 59 | with a core-shell structure: |
---|
| 60 | |
---|
[369e492e] | 61 | The form factor is normalized by the |
---|
| 62 | total particle volume. |
---|
| 63 | |
---|
[1ed3834] | 64 | radius: core radius, thickness: shell thickness |
---|
[369e492e] | 65 | |
---|
| 66 | Ref: Guinier, A. and G. Fournet, |
---|
| 67 | John Wiley and Sons, New York, 1955.""" |
---|
[836fe6e] | 68 | |
---|
[fe9c19b4] | 69 | ## Parameter details [units, min, max] |
---|
[ae3ce4e] | 70 | self.details = {} |
---|
| 71 | self.details['scale'] = ['', None, None] |
---|
[1ed3834] | 72 | self.details['radius'] = ['[A]', None, None] |
---|
| 73 | self.details['thickness'] = ['[A]', None, None] |
---|
[27972c1d] | 74 | self.details['core_sld'] = ['[1/A^(2)]', None, None] |
---|
| 75 | self.details['shell_sld'] = ['[1/A^(2)]', None, None] |
---|
| 76 | self.details['solvent_sld'] = ['[1/A^(2)]', None, None] |
---|
[0824909] | 77 | self.details['background'] = ['[1/cm]', None, None] |
---|
[836fe6e] | 78 | |
---|
[fe9c19b4] | 79 | ## fittable parameters |
---|
[836fe6e] | 80 | self.fixed=['thickness.width', 'radius.width'] |
---|
[25a608f5] | 81 | |
---|
[35aface] | 82 | ## non-fittable parameters |
---|
| 83 | self.non_fittable=[] |
---|
| 84 | |
---|
[25a608f5] | 85 | ## parameters with orientation |
---|
| 86 | self.orientation_params =[] |
---|
[ae3ce4e] | 87 | |
---|
| 88 | def clone(self): |
---|
| 89 | """ Return a identical copy of self """ |
---|
[95986b5] | 90 | return self._clone(CoreShellModel()) |
---|
[fe9c19b4] | 91 | |
---|
| 92 | def __getstate__(self): |
---|
[79ac6f8] | 93 | """ |
---|
| 94 | return object state for pickling and copying |
---|
| 95 | """ |
---|
[fe9c19b4] | 96 | model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log} |
---|
| 97 | |
---|
| 98 | return self.__dict__, model_state |
---|
| 99 | |
---|
| 100 | def __setstate__(self, state): |
---|
[79ac6f8] | 101 | """ |
---|
| 102 | create object from pickled state |
---|
| 103 | |
---|
| 104 | :param state: the state of the current model |
---|
| 105 | |
---|
| 106 | """ |
---|
[fe9c19b4] | 107 | |
---|
| 108 | self.__dict__, model_state = state |
---|
| 109 | self.params = model_state['params'] |
---|
| 110 | self.dispersion = model_state['dispersion'] |
---|
| 111 | self.log = model_state['log'] |
---|
| 112 | |
---|
[ae3ce4e] | 113 | |
---|
[79ac6f8] | 114 | def run(self, x=0.0): |
---|
| 115 | """ |
---|
| 116 | Evaluate the model |
---|
| 117 | |
---|
| 118 | :param x: input q, or [q,phi] |
---|
| 119 | |
---|
| 120 | :return: scattering function P(q) |
---|
| 121 | |
---|
[ae3ce4e] | 122 | """ |
---|
| 123 | |
---|
| 124 | return CCoreShellModel.run(self, x) |
---|
| 125 | |
---|
[79ac6f8] | 126 | def runXY(self, x=0.0): |
---|
| 127 | """ |
---|
| 128 | Evaluate the model in cartesian coordinates |
---|
| 129 | |
---|
| 130 | :param x: input q, or [qx, qy] |
---|
| 131 | |
---|
| 132 | :return: scattering function P(q) |
---|
| 133 | |
---|
[ae3ce4e] | 134 | """ |
---|
| 135 | |
---|
| 136 | return CCoreShellModel.runXY(self, x) |
---|
[95986b5] | 137 | |
---|
[79ac6f8] | 138 | def evalDistribution(self, x=[]): |
---|
| 139 | """ |
---|
| 140 | Evaluate the model in cartesian coordinates |
---|
| 141 | |
---|
| 142 | :param x: input q[], or [qx[], qy[]] |
---|
| 143 | |
---|
| 144 | :return: scattering function P(q[]) |
---|
| 145 | |
---|
[9bd69098] | 146 | """ |
---|
[f9a1279] | 147 | return CCoreShellModel.evalDistribution(self, x) |
---|
[9bd69098] | 148 | |
---|
[5eb9154] | 149 | def calculate_ER(self): |
---|
[79ac6f8] | 150 | """ |
---|
| 151 | Calculate the effective radius for P(q)*S(q) |
---|
| 152 | |
---|
| 153 | :return: the value of the effective radius |
---|
| 154 | |
---|
[5eb9154] | 155 | """ |
---|
| 156 | return CCoreShellModel.calculate_ER(self) |
---|
| 157 | |
---|
[95986b5] | 158 | def set_dispersion(self, parameter, dispersion): |
---|
| 159 | """ |
---|
[79ac6f8] | 160 | Set the dispersion object for a model parameter |
---|
| 161 | |
---|
| 162 | :param parameter: name of the parameter [string] |
---|
| 163 | :param dispersion: dispersion object of type DispersionModel |
---|
| 164 | |
---|
[95986b5] | 165 | """ |
---|
| 166 | return CCoreShellModel.set_dispersion(self, parameter, dispersion.cdisp) |
---|
| 167 | |
---|
[ae3ce4e] | 168 | |
---|
| 169 | # End of file |
---|