[1bbf2ac] | 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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[9ce41c6] | 19 | DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\StickyHS.h |
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[1bbf2ac] | 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 CStickyHSStructure |
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| 26 | import copy |
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| 27 | |
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| 28 | class StickyHSStructure(CStickyHSStructure, BaseComponent): |
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| 29 | """ Class that evaluates a StickyHSStructure model. |
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[fe9c19b4] | 30 | This file was auto-generated from ..\c_extensions\StickyHS.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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[5eb9154] | 34 | effect_radius = 50.0 [A] |
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[1bbf2ac] | 35 | volfraction = 0.1 |
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| 36 | perturb = 0.05 |
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| 37 | stickiness = 0.2 |
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| 38 | |
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| 39 | """ |
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| 40 | |
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| 41 | def __init__(self): |
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| 42 | """ Initialization """ |
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| 43 | |
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| 44 | # Initialize BaseComponent first, then sphere |
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| 45 | BaseComponent.__init__(self) |
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| 46 | CStickyHSStructure.__init__(self) |
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| 47 | |
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| 48 | ## Name of the model |
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| 49 | self.name = "StickyHSStructure" |
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| 50 | ## Model description |
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[1ed3834] | 51 | self.description =""" Structure Factor for interacting particles: . |
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[1bbf2ac] | 52 | |
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| 53 | The interaction potential is |
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| 54 | |
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| 55 | U(r)= inf , r < 2R |
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| 56 | = -Uo , 2R < r < 2R + w |
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| 57 | = 0 , r >= 2R +w |
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| 58 | |
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[5eb9154] | 59 | R: effective radius of the hardsphere |
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[1bbf2ac] | 60 | stickiness = [exp(Uo/kT)]/(12*perturb) |
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| 61 | perturb = w/(w+ 2R) , 0.01 =< w <= 0.1 |
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| 62 | w: The width of the square well ,w > 0 |
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| 63 | v: The volume fraction , v > 0 |
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| 64 | |
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[1ed3834] | 65 | Ref: Menon, S. V. G.,et.al., J. Chem. |
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| 66 | Phys., 1991, 95(12), 9186-9190.""" |
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[1bbf2ac] | 67 | |
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[fe9c19b4] | 68 | ## Parameter details [units, min, max] |
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[1bbf2ac] | 69 | self.details = {} |
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[5eb9154] | 70 | self.details['effect_radius'] = ['[A]', None, None] |
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[1bbf2ac] | 71 | self.details['volfraction'] = ['', None, None] |
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| 72 | self.details['perturb'] = ['', None, None] |
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| 73 | self.details['stickiness'] = ['', None, None] |
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| 74 | |
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[fe9c19b4] | 75 | ## fittable parameters |
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[5eb9154] | 76 | self.fixed=['effect_radius.width'] |
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[0824909] | 77 | |
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| 78 | ## parameters with orientation |
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| 79 | self.orientation_params =[] |
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[1bbf2ac] | 80 | |
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| 81 | def clone(self): |
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| 82 | """ Return a identical copy of self """ |
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| 83 | return self._clone(StickyHSStructure()) |
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[fe9c19b4] | 84 | |
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| 85 | def __getstate__(self): |
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| 86 | """ return object state for pickling and copying """ |
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| 87 | model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log} |
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| 88 | |
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| 89 | return self.__dict__, model_state |
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| 90 | |
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| 91 | def __setstate__(self, state): |
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| 92 | """ create object from pickled state """ |
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| 93 | |
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| 94 | self.__dict__, model_state = state |
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| 95 | self.params = model_state['params'] |
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| 96 | self.dispersion = model_state['dispersion'] |
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| 97 | self.log = model_state['log'] |
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| 98 | |
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[1bbf2ac] | 99 | |
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| 100 | def run(self, x = 0.0): |
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| 101 | """ Evaluate the model |
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| 102 | @param x: input q, or [q,phi] |
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| 103 | @return: scattering function P(q) |
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| 104 | """ |
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| 105 | |
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| 106 | return CStickyHSStructure.run(self, x) |
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| 107 | |
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| 108 | def runXY(self, x = 0.0): |
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| 109 | """ Evaluate the model in cartesian coordinates |
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| 110 | @param x: input q, or [qx, qy] |
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| 111 | @return: scattering function P(q) |
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| 112 | """ |
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| 113 | |
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| 114 | return CStickyHSStructure.runXY(self, x) |
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| 115 | |
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[9bd69098] | 116 | def evalDistribition(self, x = []): |
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| 117 | """ Evaluate the model in cartesian coordinates |
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| 118 | @param x: input q[], or [qx[], qy[]] |
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| 119 | @return: scattering function P(q[]) |
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| 120 | """ |
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| 121 | return CStickyHSStructure.evalDistribition(self, x) |
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| 122 | |
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[5eb9154] | 123 | def calculate_ER(self): |
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| 124 | """ Calculate the effective radius for P(q)*S(q) |
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| 125 | @return: the value of the effective radius |
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| 126 | """ |
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| 127 | return CStickyHSStructure.calculate_ER(self) |
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| 128 | |
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[1bbf2ac] | 129 | def set_dispersion(self, parameter, dispersion): |
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| 130 | """ |
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| 131 | Set the dispersion object for a model parameter |
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| 132 | @param parameter: name of the parameter [string] |
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| 133 | @dispersion: dispersion object of type DispersionModel |
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| 134 | """ |
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| 135 | return CStickyHSStructure.set_dispersion(self, parameter, dispersion.cdisp) |
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| 136 | |
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| 137 | |
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| 138 | # End of file |
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