[40945a3] | 1 | #!/usr/bin/env python |
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| 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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[40945a3] | 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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[40945a3] | 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/DiamEllip.h |
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[79ac6f8] | 23 | AND RE-RUN THE GENERATOR SCRIPT |
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[40945a3] | 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 CDiamEllipFunc |
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[40945a3] | 29 | import copy |
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[96656e3] | 30 | |
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| 31 | def create_DiamEllipFunc(): |
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| 32 | obj = DiamEllipFunc() |
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| 33 | #CDiamEllipFunc.__init__(obj) is called by DiamEllipFunc constructor |
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| 34 | return obj |
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| 35 | |
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[40945a3] | 36 | class DiamEllipFunc(CDiamEllipFunc, BaseComponent): |
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[79ac6f8] | 37 | """ |
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| 38 | Class that evaluates a DiamEllipFunc model. |
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[b1c3295] | 39 | This file was auto-generated from ../c_extensions/DiamEllip.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 | radius_a = 20.0 A |
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| 44 | radius_b = 400.0 A |
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[40945a3] | 45 | |
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| 46 | """ |
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| 47 | |
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| 48 | def __init__(self): |
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| 49 | """ Initialization """ |
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| 50 | |
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| 51 | # Initialize BaseComponent first, then sphere |
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| 52 | BaseComponent.__init__(self) |
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[96656e3] | 53 | #apply(CDiamEllipFunc.__init__, (self,)) |
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[40945a3] | 54 | CDiamEllipFunc.__init__(self) |
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| 55 | |
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| 56 | ## Name of the model |
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| 57 | self.name = "DiamEllipFunc" |
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| 58 | ## Model description |
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[b1c3295] | 59 | self.description ="""To calculate the 2nd virial coefficient for |
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| 60 | the non-spherical object, then find the |
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| 61 | radius of sphere that has this value of |
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| 62 | virial coefficient: |
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| 63 | radius_a = polar radius, |
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| 64 | radius_b = equatorial radius; |
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| 65 | radius_a > radius_b: Prolate spheroid, |
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[40945a3] | 66 | radius_a < radius_b: Oblate spheroid.""" |
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| 67 | |
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[b1c3295] | 68 | ## Parameter details [units, min, max] |
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| 69 | self.details = {} |
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| 70 | self.details['radius_a'] = ['A', None, None] |
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| 71 | self.details['radius_b'] = ['A', None, None] |
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[40945a3] | 72 | |
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[fe9c19b4] | 73 | ## fittable parameters |
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[40945a3] | 74 | self.fixed=['radius_a.width', 'radius_b.width'] |
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[870f131] | 75 | |
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[35aface] | 76 | ## non-fittable parameters |
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[96656e3] | 77 | self.non_fittable = [] |
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[35aface] | 78 | |
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[870f131] | 79 | ## parameters with orientation |
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[96656e3] | 80 | self.orientation_params = [] |
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[c7a7e1b] | 81 | |
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| 82 | def __setstate__(self, state): |
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| 83 | """ |
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| 84 | restore the state of a model from pickle |
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| 85 | """ |
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| 86 | self.__dict__, self.params, self.dispersion = state |
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| 87 | |
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[96656e3] | 88 | def __reduce_ex__(self, proto): |
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[79ac6f8] | 89 | """ |
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[96656e3] | 90 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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| 91 | c model. |
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[79ac6f8] | 92 | """ |
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[c7a7e1b] | 93 | state = (self.__dict__, self.params, self.dispersion) |
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| 94 | return (create_DiamEllipFunc,tuple(), state, None, None) |
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[fe9c19b4] | 95 | |
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[96656e3] | 96 | def clone(self): |
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| 97 | """ Return a identical copy of self """ |
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| 98 | return self._clone(DiamEllipFunc()) |
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[fe9c19b4] | 99 | |
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[40945a3] | 100 | |
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[79ac6f8] | 101 | def run(self, x=0.0): |
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| 102 | """ |
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| 103 | Evaluate the model |
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| 104 | |
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| 105 | :param x: input q, or [q,phi] |
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| 106 | |
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| 107 | :return: scattering function P(q) |
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| 108 | |
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[40945a3] | 109 | """ |
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| 110 | |
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| 111 | return CDiamEllipFunc.run(self, x) |
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| 112 | |
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[79ac6f8] | 113 | def runXY(self, x=0.0): |
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| 114 | """ |
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| 115 | Evaluate the model in cartesian coordinates |
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| 116 | |
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| 117 | :param x: input q, or [qx, qy] |
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| 118 | |
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| 119 | :return: scattering function P(q) |
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| 120 | |
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[40945a3] | 121 | """ |
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| 122 | |
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| 123 | return CDiamEllipFunc.runXY(self, x) |
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| 124 | |
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[79ac6f8] | 125 | def evalDistribution(self, x=[]): |
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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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[870f131] | 133 | """ |
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[f9a1279] | 134 | return CDiamEllipFunc.evalDistribution(self, x) |
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[870f131] | 135 | |
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[5eb9154] | 136 | def calculate_ER(self): |
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[79ac6f8] | 137 | """ |
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| 138 | Calculate the effective radius for P(q)*S(q) |
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| 139 | |
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| 140 | :return: the value of the effective radius |
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| 141 | |
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[5eb9154] | 142 | """ |
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| 143 | return CDiamEllipFunc.calculate_ER(self) |
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| 144 | |
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[40945a3] | 145 | def set_dispersion(self, parameter, dispersion): |
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| 146 | """ |
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[79ac6f8] | 147 | Set the dispersion object for a model parameter |
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| 148 | |
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| 149 | :param parameter: name of the parameter [string] |
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| 150 | :param dispersion: dispersion object of type DispersionModel |
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| 151 | |
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[40945a3] | 152 | """ |
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| 153 | return CDiamEllipFunc.set_dispersion(self, parameter, dispersion.cdisp) |
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| 154 | |
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| 155 | |
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[b1c3295] | 156 | # End of file |
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