[35aface] | 1 | #!/usr/bin/env python |
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| 2 | |
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| 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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| 16 | |
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| 17 | |
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| 18 | """ |
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| 19 | Provide functionality for a C extension model |
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| 20 | |
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| 21 | :WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
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[b1c3295] | 22 | DO NOT MODIFY THIS FILE, MODIFY ../c_extensions/rpa.h |
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[35aface] | 23 | AND RE-RUN THE GENERATOR SCRIPT |
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| 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 CRPAModel |
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[35aface] | 29 | import copy |
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[96656e3] | 30 | |
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| 31 | def create_RPAModel(): |
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| 32 | obj = RPAModel() |
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| 33 | #CRPAModel.__init__(obj) is called by RPAModel constructor |
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| 34 | return obj |
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| 35 | |
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[35aface] | 36 | class RPAModel(CRPAModel, BaseComponent): |
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| 37 | """ |
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| 38 | Class that evaluates a RPAModel model. |
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[b1c3295] | 39 | This file was auto-generated from ../c_extensions/rpa.h. |
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[35aface] | 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 | lcase_n = 0.0 |
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| 44 | ba = 5.0 |
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| 45 | bb = 5.0 |
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| 46 | bc = 5.0 |
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| 47 | bd = 5.0 |
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| 48 | Kab = -0.0004 |
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| 49 | Kac = -0.0004 |
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| 50 | Kad = -0.0004 |
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| 51 | Kbc = -0.0004 |
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| 52 | Kbd = -0.0004 |
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| 53 | Kcd = -0.0004 |
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| 54 | scale = 1.0 |
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| 55 | background = 0.0 [1/cm] |
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| 56 | Na = 1000.0 |
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| 57 | Phia = 0.25 |
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| 58 | va = 100.0 |
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| 59 | La = 1e-12 |
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| 60 | Nb = 1000.0 |
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| 61 | Phib = 0.25 |
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| 62 | vb = 100.0 |
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| 63 | Lb = 1e-12 |
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| 64 | Nc = 1000.0 |
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| 65 | Phic = 0.25 |
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| 66 | vc = 100.0 |
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| 67 | Lc = 1e-12 |
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| 68 | Nd = 1000.0 |
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| 69 | Phid = 0.25 |
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| 70 | vd = 100.0 |
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| 71 | Ld = 0.0 |
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[35aface] | 72 | |
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| 73 | """ |
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| 74 | |
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| 75 | def __init__(self): |
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| 76 | """ Initialization """ |
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| 77 | |
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| 78 | # Initialize BaseComponent first, then sphere |
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| 79 | BaseComponent.__init__(self) |
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[96656e3] | 80 | #apply(CRPAModel.__init__, (self,)) |
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[35aface] | 81 | CRPAModel.__init__(self) |
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| 82 | |
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| 83 | ## Name of the model |
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| 84 | self.name = "RPAModel" |
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| 85 | ## Model description |
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[b1c3295] | 86 | self.description =""" THIS FORMALISM APPLIES TO MULTICOMPONENT POLYMER MIXTURES IN THE |
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| 87 | HOMOGENEOUS (MIXED) PHASE REGION ONLY.; |
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| 88 | CASE 0: C/D BINARY MIXTURE OF HOMOPOLYMERS |
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| 89 | CASE 1: C-D DIBLOCK COPOLYMER |
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| 90 | CASE 2: B/C/D TERNARY MIXTURE OF HOMOPOLYMERS |
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| 91 | CASE 3: B/C-D MIXTURE OF HOMOPOLYMER B AND |
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| 92 | DIBLOCK COPOLYMER C-D |
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| 93 | CASE 4: B-C-D TRIBLOCK COPOLYMER |
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| 94 | CASE 5: A/B/C/D QUATERNARY MIXTURE OF HOMOPOLYMERS |
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| 95 | CASE 6: A/B/C-D MIXTURE OF TWO HOMOPOLYMERS A/B |
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| 96 | AND A DIBLOCK C-D |
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| 97 | CASE 7: A/B-C-D MIXTURE OF A HOMOPOLYMER A AND A |
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| 98 | TRIBLOCK B-C-D |
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| 99 | CASE 8: A-B/C-D MIXTURE OF TWO DIBLOCK COPOLYMERS |
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| 100 | A-B AND C-D |
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| 101 | CASE 9: A-B-C-D FOUR-BLOCK COPOLYMER |
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[35aface] | 102 | See details in the model function help""" |
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| 103 | |
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[b1c3295] | 104 | ## Parameter details [units, min, max] |
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| 105 | self.details = {} |
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| 106 | self.details['lcase_n'] = ['', None, None] |
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| 107 | self.details['ba'] = ['', None, None] |
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| 108 | self.details['bb'] = ['', None, None] |
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| 109 | self.details['bc'] = ['', None, None] |
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| 110 | self.details['bd'] = ['', None, None] |
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| 111 | self.details['Kab'] = ['', None, None] |
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| 112 | self.details['Kac'] = ['', None, None] |
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| 113 | self.details['Kad'] = ['', None, None] |
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| 114 | self.details['Kbc'] = ['', None, None] |
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| 115 | self.details['Kbd'] = ['', None, None] |
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| 116 | self.details['Kcd'] = ['', None, None] |
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| 117 | self.details['scale'] = ['', None, None] |
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| 118 | self.details['background'] = ['[1/cm]', None, None] |
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| 119 | self.details['Na'] = ['', None, None] |
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| 120 | self.details['Phia'] = ['', None, None] |
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| 121 | self.details['va'] = ['', None, None] |
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| 122 | self.details['La'] = ['', None, None] |
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| 123 | self.details['Nb'] = ['', None, None] |
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| 124 | self.details['Phib'] = ['', None, None] |
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| 125 | self.details['vb'] = ['', None, None] |
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| 126 | self.details['Lb'] = ['', None, None] |
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| 127 | self.details['Nc'] = ['', None, None] |
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| 128 | self.details['Phic'] = ['', None, None] |
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| 129 | self.details['vc'] = ['', None, None] |
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| 130 | self.details['Lc'] = ['', None, None] |
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| 131 | self.details['Nd'] = ['', None, None] |
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| 132 | self.details['Phid'] = ['', None, None] |
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| 133 | self.details['vd'] = ['', None, None] |
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| 134 | self.details['Ld'] = ['', None, None] |
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[35aface] | 135 | |
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| 136 | ## fittable parameters |
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| 137 | self.fixed=[] |
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| 138 | |
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| 139 | ## non-fittable parameters |
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[96656e3] | 140 | self.non_fittable = ['lcase_n', 'Na', 'Phia', 'va', 'La', 'Nb', 'Phib', 'vb', 'Lb', 'Nc', 'Phic', 'vc', 'Lc', 'Nd', 'Phid', 'vd', 'Ld'] |
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[35aface] | 141 | |
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| 142 | ## parameters with orientation |
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[96656e3] | 143 | self.orientation_params = [] |
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[c7a7e1b] | 144 | |
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| 145 | def __setstate__(self, state): |
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| 146 | """ |
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| 147 | restore the state of a model from pickle |
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| 148 | """ |
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| 149 | self.__dict__, self.params, self.dispersion = state |
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| 150 | |
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[96656e3] | 151 | def __reduce_ex__(self, proto): |
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[35aface] | 152 | """ |
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[96656e3] | 153 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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| 154 | c model. |
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[35aface] | 155 | """ |
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[c7a7e1b] | 156 | state = (self.__dict__, self.params, self.dispersion) |
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| 157 | return (create_RPAModel,tuple(), state, None, None) |
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[35aface] | 158 | |
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[96656e3] | 159 | def clone(self): |
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| 160 | """ Return a identical copy of self """ |
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| 161 | return self._clone(RPAModel()) |
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[35aface] | 162 | |
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| 163 | |
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| 164 | def run(self, x=0.0): |
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| 165 | """ |
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| 166 | Evaluate the model |
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| 167 | |
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| 168 | :param x: input q, or [q,phi] |
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| 169 | |
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| 170 | :return: scattering function P(q) |
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| 171 | |
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| 172 | """ |
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| 173 | |
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| 174 | return CRPAModel.run(self, x) |
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| 175 | |
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| 176 | def runXY(self, x=0.0): |
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| 177 | """ |
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| 178 | Evaluate the model in cartesian coordinates |
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| 179 | |
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| 180 | :param x: input q, or [qx, qy] |
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| 181 | |
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| 182 | :return: scattering function P(q) |
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| 183 | |
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| 184 | """ |
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| 185 | |
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| 186 | return CRPAModel.runXY(self, x) |
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| 187 | |
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| 188 | def evalDistribution(self, x=[]): |
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| 189 | """ |
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| 190 | Evaluate the model in cartesian coordinates |
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| 191 | |
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| 192 | :param x: input q[], or [qx[], qy[]] |
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| 193 | |
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| 194 | :return: scattering function P(q[]) |
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| 195 | |
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| 196 | """ |
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| 197 | return CRPAModel.evalDistribution(self, x) |
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| 198 | |
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| 199 | def calculate_ER(self): |
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| 200 | """ |
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| 201 | Calculate the effective radius for P(q)*S(q) |
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| 202 | |
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| 203 | :return: the value of the effective radius |
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| 204 | |
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| 205 | """ |
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| 206 | return CRPAModel.calculate_ER(self) |
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| 207 | |
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| 208 | def set_dispersion(self, parameter, dispersion): |
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| 209 | """ |
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| 210 | Set the dispersion object for a model parameter |
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| 211 | |
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| 212 | :param parameter: name of the parameter [string] |
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| 213 | :param dispersion: dispersion object of type DispersionModel |
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| 214 | |
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| 215 | """ |
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| 216 | return CRPAModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 217 | |
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| 218 | |
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[b1c3295] | 219 | # End of file |
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