1 | #!/usr/bin/env python |
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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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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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19 | DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\Hardsphere.h |
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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 CHardsphereStructure |
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26 | import copy |
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27 | |
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28 | class HardsphereStructure(CHardsphereStructure, BaseComponent): |
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29 | """ Class that evaluates a HardsphereStructure model. |
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30 | This file was auto-generated from ..\c_extensions\Hardsphere.h. |
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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 | radius = 50.0 [Å] |
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35 | volfraction = 0.2 |
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36 | |
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37 | """ |
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38 | |
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39 | def __init__(self): |
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40 | """ Initialization """ |
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41 | |
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42 | # Initialize BaseComponent first, then sphere |
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43 | BaseComponent.__init__(self) |
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44 | CHardsphereStructure.__init__(self) |
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45 | |
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46 | ## Name of the model |
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47 | self.name = "HardsphereStructure" |
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48 | ## Model description |
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49 | self.description ="""Structure factor for interacting particles: |
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50 | |
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51 | The interparticle potential is |
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52 | |
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53 | U(r)= inf , r < 2R |
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54 | = 0 , r >= 2R |
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55 | |
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56 | R: radius of the Hardsphere particle |
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57 | V:The volume fraction |
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58 | |
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59 | Ref: Percus., J. K.,etc., J. Phy. Rev. |
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60 | 1958, 110, 1.""" |
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61 | |
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62 | ## Parameter details [units, min, max] |
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63 | self.details = {} |
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64 | self.details['radius'] = ['[Å]', None, None] |
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65 | self.details['volfraction'] = ['', None, None] |
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66 | |
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67 | ## fittable parameters |
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68 | self.fixed=['radius.width'] |
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69 | |
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70 | ## parameters with orientation |
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71 | self.orientation_params =[] |
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72 | |
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73 | def clone(self): |
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74 | """ Return a identical copy of self """ |
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75 | return self._clone(HardsphereStructure()) |
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76 | |
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77 | def run(self, x = 0.0): |
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78 | """ Evaluate the model |
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79 | @param x: input q, or [q,phi] |
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80 | @return: scattering function P(q) |
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81 | """ |
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82 | |
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83 | return CHardsphereStructure.run(self, x) |
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84 | |
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85 | def runXY(self, x = 0.0): |
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86 | """ Evaluate the model in cartesian coordinates |
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87 | @param x: input q, or [qx, qy] |
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88 | @return: scattering function P(q) |
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89 | """ |
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90 | |
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91 | return CHardsphereStructure.runXY(self, x) |
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92 | |
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93 | def set_dispersion(self, parameter, dispersion): |
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94 | """ |
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95 | Set the dispersion object for a model parameter |
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96 | @param parameter: name of the parameter [string] |
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97 | @dispersion: dispersion object of type DispersionModel |
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98 | """ |
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99 | return CHardsphereStructure.set_dispersion(self, parameter, dispersion.cdisp) |
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100 | |
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101 | |
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102 | # End of file |
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