[27a0771] | 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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[27a0771] | 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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[27a0771] | 20 | |
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[79ac6f8] | 21 | :WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
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| 22 | DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\lamellarPS_HG.h |
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| 23 | AND RE-RUN THE GENERATOR SCRIPT |
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[27a0771] | 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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| 28 | from sans_extension.c_models import CLamellarPSHGModel |
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| 29 | import copy |
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| 30 | |
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| 31 | class LamellarPSHGModel(CLamellarPSHGModel, BaseComponent): |
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[79ac6f8] | 32 | """ |
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| 33 | Class that evaluates a LamellarPSHGModel model. |
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| 34 | This file was auto-generated from ..\c_extensions\lamellarPS_HG.h. |
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| 35 | Refer to that file and the structure it contains |
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| 36 | for details of the model. |
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| 37 | List of default parameters: |
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[27a0771] | 38 | scale = 1.0 |
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| 39 | spacing = 40.0 [A] |
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| 40 | deltaT = 10.0 [A] |
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| 41 | deltaH = 2.0 [A] |
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[27972c1d] | 42 | sld_tail = 4e-007 [1/A^(2)] |
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| 43 | sld_head = 2e-006 [1/A^(2)] |
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| 44 | sld_solvent = 6e-006 [1/A^(2)] |
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[27a0771] | 45 | n_plates = 30.0 |
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| 46 | caille = 0.001 |
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| 47 | background = 0.001 [1/cm] |
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| 48 | |
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| 49 | """ |
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| 50 | |
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| 51 | def __init__(self): |
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| 52 | """ Initialization """ |
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| 53 | |
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| 54 | # Initialize BaseComponent first, then sphere |
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| 55 | BaseComponent.__init__(self) |
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| 56 | CLamellarPSHGModel.__init__(self) |
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| 57 | |
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| 58 | ## Name of the model |
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| 59 | self.name = "LamellarPSHGModel" |
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| 60 | ## Model description |
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[9188cc1] | 61 | self.description ="""[Concentrated Lamellar (head+tail) Form Factor]: Calculates the |
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| 62 | intensity from a lyotropic lamellar phase. |
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| 63 | The intensity (form factor and structure factor) |
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| 64 | calculated is for lamellae of two-layer scattering |
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| 65 | length density that are randomly distributed in |
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| 66 | solution (a powder average). The scattering |
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| 67 | length density of the tail region, headgroup |
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| 68 | region, and solvent are taken to be different. |
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| 69 | The model can also be applied to large, |
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| 70 | multi-lamellar vesicles. |
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| 71 | No resolution smeared version is included |
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| 72 | in the structure factor of this model. |
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| 73 | *Parameters: spacing = repeat spacing, |
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| 74 | deltaT = tail length, |
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| 75 | deltaH = headgroup thickness, |
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| 76 | n_plates = # of Lamellar plates |
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| 77 | caille = Caille parameter (<0.8 or <1) |
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| 78 | background = incoherent bgd |
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| 79 | scale = scale factor ...""" |
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[27a0771] | 80 | |
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[fe9c19b4] | 81 | ## Parameter details [units, min, max] |
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[27a0771] | 82 | self.details = {} |
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| 83 | self.details['scale'] = ['', None, None] |
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| 84 | self.details['spacing'] = ['[A]', None, None] |
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| 85 | self.details['deltaT'] = ['[A]', None, None] |
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| 86 | self.details['deltaH'] = ['[A]', None, None] |
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[27972c1d] | 87 | self.details['sld_tail'] = ['[1/A^(2)]', None, None] |
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| 88 | self.details['sld_head'] = ['[1/A^(2)]', None, None] |
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| 89 | self.details['sld_solvent'] = ['[1/A^(2)]', None, None] |
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[27a0771] | 90 | self.details['n_plates'] = ['', None, None] |
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| 91 | self.details['caille'] = ['', None, None] |
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| 92 | self.details['background'] = ['[1/cm]', None, None] |
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| 93 | |
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[fe9c19b4] | 94 | ## fittable parameters |
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[9188cc1] | 95 | self.fixed=['deltaT.width', 'deltaH.width', 'spacing.width'] |
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[27a0771] | 96 | |
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[35aface] | 97 | ## non-fittable parameters |
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| 98 | self.non_fittable=[] |
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| 99 | |
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[27a0771] | 100 | ## parameters with orientation |
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| 101 | self.orientation_params =[] |
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| 102 | |
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| 103 | def clone(self): |
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| 104 | """ Return a identical copy of self """ |
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| 105 | return self._clone(LamellarPSHGModel()) |
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[fe9c19b4] | 106 | |
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| 107 | def __getstate__(self): |
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[79ac6f8] | 108 | """ |
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| 109 | return object state for pickling and copying |
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| 110 | """ |
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[fe9c19b4] | 111 | model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log} |
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| 112 | |
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| 113 | return self.__dict__, model_state |
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| 114 | |
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| 115 | def __setstate__(self, state): |
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[79ac6f8] | 116 | """ |
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| 117 | create object from pickled state |
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| 118 | |
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| 119 | :param state: the state of the current model |
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| 120 | |
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| 121 | """ |
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[fe9c19b4] | 122 | |
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| 123 | self.__dict__, model_state = state |
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| 124 | self.params = model_state['params'] |
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| 125 | self.dispersion = model_state['dispersion'] |
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| 126 | self.log = model_state['log'] |
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| 127 | |
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[27a0771] | 128 | |
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[79ac6f8] | 129 | def run(self, x=0.0): |
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| 130 | """ |
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| 131 | Evaluate the model |
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| 132 | |
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| 133 | :param x: input q, or [q,phi] |
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| 134 | |
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| 135 | :return: scattering function P(q) |
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| 136 | |
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[27a0771] | 137 | """ |
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| 138 | |
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| 139 | return CLamellarPSHGModel.run(self, x) |
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| 140 | |
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[79ac6f8] | 141 | def runXY(self, x=0.0): |
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| 142 | """ |
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| 143 | Evaluate the model in cartesian coordinates |
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| 144 | |
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| 145 | :param x: input q, or [qx, qy] |
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| 146 | |
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| 147 | :return: scattering function P(q) |
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| 148 | |
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[27a0771] | 149 | """ |
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| 150 | |
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| 151 | return CLamellarPSHGModel.runXY(self, x) |
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| 152 | |
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[79ac6f8] | 153 | def evalDistribution(self, x=[]): |
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| 154 | """ |
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| 155 | Evaluate the model in cartesian coordinates |
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| 156 | |
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| 157 | :param x: input q[], or [qx[], qy[]] |
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| 158 | |
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| 159 | :return: scattering function P(q[]) |
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| 160 | |
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[870f131] | 161 | """ |
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[f9a1279] | 162 | return CLamellarPSHGModel.evalDistribution(self, x) |
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[870f131] | 163 | |
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[5eb9154] | 164 | def calculate_ER(self): |
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[79ac6f8] | 165 | """ |
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| 166 | Calculate the effective radius for P(q)*S(q) |
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| 167 | |
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| 168 | :return: the value of the effective radius |
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| 169 | |
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[5eb9154] | 170 | """ |
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| 171 | return CLamellarPSHGModel.calculate_ER(self) |
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| 172 | |
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[27a0771] | 173 | def set_dispersion(self, parameter, dispersion): |
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| 174 | """ |
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[79ac6f8] | 175 | Set the dispersion object for a model parameter |
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| 176 | |
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| 177 | :param parameter: name of the parameter [string] |
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| 178 | :param dispersion: dispersion object of type DispersionModel |
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| 179 | |
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[27a0771] | 180 | """ |
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| 181 | return CLamellarPSHGModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 182 | |
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| 183 | |
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| 184 | # End of file |
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