[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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[d3bbf84] | 19 | DO NOT MODIFY THIS FILE, MODIFY C:\ECLPS\workspace\trunk\sansmodels\src\sans\models\c_extensions\HayterMSA.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 CHayterMSAStructure |
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| 26 | import copy |
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| 27 | |
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| 28 | class HayterMSAStructure(CHayterMSAStructure, BaseComponent): |
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| 29 | """ Class that evaluates a HayterMSAStructure model. |
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[d3bbf84] | 30 | This file was auto-generated from C:\ECLPS\workspace\trunk\sansmodels\src\sans\models\c_extensions\HayterMSA.h. |
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[1bbf2ac] | 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 = 20.75 A |
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| 35 | charge = 19.0 |
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| 36 | volfraction = 0.0192 |
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| 37 | temperature = 318.16 K |
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| 38 | saltconc = 0.0 |
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| 39 | dielectconst = 71.08 |
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| 40 | |
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| 41 | """ |
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| 42 | |
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| 43 | def __init__(self): |
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| 44 | """ Initialization """ |
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| 45 | |
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| 46 | # Initialize BaseComponent first, then sphere |
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| 47 | BaseComponent.__init__(self) |
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| 48 | CHayterMSAStructure.__init__(self) |
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| 49 | |
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| 50 | ## Name of the model |
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| 51 | self.name = "HayterMSAStructure" |
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| 52 | ## Model description |
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| 53 | self.description ="""To calculate the structure factor (the Fourier transform |
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| 54 | of the pair correlation function g(r)) for |
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| 55 | a system of charged, spheroidal objects in |
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| 56 | a dielectric medium. When combined with an |
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| 57 | appropriate form factor, this allows |
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| 58 | for inclusion of the interparticle |
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| 59 | interference effects due to screened coulomb |
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| 60 | repulsion between charged particles. |
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| 61 | (note: charge > 0 required.) |
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| 62 | |
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| 63 | Ref: JP Hansen and JB Hayter, Molecular |
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| 64 | Physics 46, 651-656 (1982). |
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| 65 | """ |
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| 66 | |
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| 67 | ## Parameter details [units, min, max] |
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| 68 | self.details = {} |
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| 69 | self.details['radius'] = ['A', None, None] |
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| 70 | self.details['charge'] = ['', None, None] |
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| 71 | self.details['volfraction'] = ['', None, None] |
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| 72 | self.details['temperature'] = ['K', None, None] |
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| 73 | self.details['saltconc'] = ['', None, None] |
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| 74 | self.details['dielectconst'] = ['', None, None] |
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| 75 | |
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| 76 | ## fittable parameters |
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| 77 | self.fixed=['radius.width'] |
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| 78 | |
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| 79 | def clone(self): |
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| 80 | """ Return a identical copy of self """ |
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| 81 | return self._clone(HayterMSAStructure()) |
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| 82 | |
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| 83 | def run(self, x = 0.0): |
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| 84 | """ Evaluate the model |
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| 85 | @param x: input q, or [q,phi] |
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| 86 | @return: scattering function P(q) |
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| 87 | """ |
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| 88 | |
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| 89 | return CHayterMSAStructure.run(self, x) |
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| 90 | |
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| 91 | def runXY(self, x = 0.0): |
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| 92 | """ Evaluate the model in cartesian coordinates |
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| 93 | @param x: input q, or [qx, qy] |
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| 94 | @return: scattering function P(q) |
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| 95 | """ |
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| 96 | |
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| 97 | return CHayterMSAStructure.runXY(self, x) |
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| 98 | |
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| 99 | def set_dispersion(self, parameter, dispersion): |
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| 100 | """ |
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| 101 | Set the dispersion object for a model parameter |
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| 102 | @param parameter: name of the parameter [string] |
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| 103 | @dispersion: dispersion object of type DispersionModel |
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| 104 | """ |
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| 105 | return CHayterMSAStructure.set_dispersion(self, parameter, dispersion.cdisp) |
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| 106 | |
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| 107 | |
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| 108 | # End of file |
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