[ec658c85] | 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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[ec658c85] | 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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[ec658c85] | 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\corefourshell.h |
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| 23 | AND RE-RUN THE GENERATOR SCRIPT |
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[ec658c85] | 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 CCoreFourShellModel |
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| 29 | import copy |
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[96656e3] | 30 | |
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| 31 | def create_CoreFourShellModel(): |
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| 32 | obj = CoreFourShellModel() |
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| 33 | #CCoreFourShellModel.__init__(obj) is called by CoreFourShellModel constructor |
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| 34 | return obj |
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| 35 | |
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[ec658c85] | 36 | class CoreFourShellModel(CCoreFourShellModel, BaseComponent): |
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[79ac6f8] | 37 | """ |
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| 38 | Class that evaluates a CoreFourShellModel model. |
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| 39 | This file was auto-generated from ..\c_extensions\corefourshell.h. |
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| 40 | Refer to that file and the structure it contains |
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| 41 | for details of the model. |
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| 42 | List of default parameters: |
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[ec658c85] | 43 | scale = 1.0 |
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[339ce67] | 44 | rad_core0 = 60.0 [A] |
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| 45 | sld_core0 = 6.4e-006 [1/A^(2)] |
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[ec658c85] | 46 | thick_shell1 = 10.0 [A] |
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| 47 | sld_shell1 = 1e-006 [1/A^(2)] |
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| 48 | thick_shell2 = 10.0 [A] |
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| 49 | sld_shell2 = 2e-006 [1/A^(2)] |
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| 50 | thick_shell3 = 10.0 [A] |
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| 51 | sld_shell3 = 3e-006 [1/A^(2)] |
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| 52 | thick_shell4 = 10.0 [A] |
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| 53 | sld_shell4 = 4e-006 [1/A^(2)] |
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| 54 | sld_solv = 6.4e-006 [1/A^(2)] |
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| 55 | background = 0.001 [1/cm] |
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| 56 | |
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| 57 | """ |
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| 58 | |
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| 59 | def __init__(self): |
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| 60 | """ Initialization """ |
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| 61 | |
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| 62 | # Initialize BaseComponent first, then sphere |
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| 63 | BaseComponent.__init__(self) |
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[96656e3] | 64 | #apply(CCoreFourShellModel.__init__, (self,)) |
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[ec658c85] | 65 | CCoreFourShellModel.__init__(self) |
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| 66 | |
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| 67 | ## Name of the model |
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| 68 | self.name = "CoreFourShellModel" |
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| 69 | ## Model description |
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| 70 | self.description =""" Calculates the scattering intensity from a core-4 shell structure. |
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| 71 | scale = scale factor * volume fraction |
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[339ce67] | 72 | rad_core0: the radius of the core |
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| 73 | sld_core0: the SLD of the core |
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[ec658c85] | 74 | thick_shelli: the thickness of the i'th shell from the core |
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| 75 | sld_shelli: the SLD of the i'th shell from the core |
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| 76 | sld_solv: the SLD of the solvent |
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| 77 | background: incoherent background""" |
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| 78 | |
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| 79 | ## Parameter details [units, min, max] |
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| 80 | self.details = {} |
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| 81 | self.details['scale'] = ['', None, None] |
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[339ce67] | 82 | self.details['rad_core0'] = ['[A]', None, None] |
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| 83 | self.details['sld_core0'] = ['[1/A^(2)]', None, None] |
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[ec658c85] | 84 | self.details['thick_shell1'] = ['[A]', None, None] |
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| 85 | self.details['sld_shell1'] = ['[1/A^(2)]', None, None] |
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| 86 | self.details['thick_shell2'] = ['[A]', None, None] |
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| 87 | self.details['sld_shell2'] = ['[1/A^(2)]', None, None] |
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| 88 | self.details['thick_shell3'] = ['[A]', None, None] |
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| 89 | self.details['sld_shell3'] = ['[1/A^(2)]', None, None] |
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| 90 | self.details['thick_shell4'] = ['[A]', None, None] |
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| 91 | self.details['sld_shell4'] = ['[1/A^(2)]', None, None] |
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| 92 | self.details['sld_solv'] = ['[1/A^(2)]', None, None] |
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| 93 | self.details['background'] = ['[1/cm]', None, None] |
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| 94 | |
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| 95 | ## fittable parameters |
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[339ce67] | 96 | self.fixed=['thick_shell4.width', 'thick_shell1.width', 'thick_shell2.width', 'thick_shell3.width', 'rad_core0.width'] |
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[ec658c85] | 97 | |
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[35aface] | 98 | ## non-fittable parameters |
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[96656e3] | 99 | self.non_fittable = [] |
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[35aface] | 100 | |
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[ec658c85] | 101 | ## parameters with orientation |
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[96656e3] | 102 | self.orientation_params = [] |
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[c7a7e1b] | 103 | |
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| 104 | def __setstate__(self, state): |
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| 105 | """ |
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| 106 | restore the state of a model from pickle |
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| 107 | """ |
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| 108 | self.__dict__, self.params, self.dispersion = state |
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| 109 | |
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[96656e3] | 110 | def __reduce_ex__(self, proto): |
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[79ac6f8] | 111 | """ |
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[96656e3] | 112 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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| 113 | c model. |
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[79ac6f8] | 114 | """ |
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[c7a7e1b] | 115 | state = (self.__dict__, self.params, self.dispersion) |
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| 116 | return (create_CoreFourShellModel,tuple(), state, None, None) |
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[ec658c85] | 117 | |
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[96656e3] | 118 | def clone(self): |
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| 119 | """ Return a identical copy of self """ |
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| 120 | return self._clone(CoreFourShellModel()) |
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[ec658c85] | 121 | |
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| 122 | |
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[79ac6f8] | 123 | def run(self, x=0.0): |
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| 124 | """ |
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| 125 | Evaluate the model |
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| 126 | |
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| 127 | :param x: input q, or [q,phi] |
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| 128 | |
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| 129 | :return: scattering function P(q) |
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| 130 | |
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[ec658c85] | 131 | """ |
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| 132 | |
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| 133 | return CCoreFourShellModel.run(self, x) |
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| 134 | |
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[79ac6f8] | 135 | def runXY(self, x=0.0): |
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| 136 | """ |
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| 137 | Evaluate the model in cartesian coordinates |
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| 138 | |
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| 139 | :param x: input q, or [qx, qy] |
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| 140 | |
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| 141 | :return: scattering function P(q) |
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| 142 | |
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[ec658c85] | 143 | """ |
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| 144 | |
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| 145 | return CCoreFourShellModel.runXY(self, x) |
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| 146 | |
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[79ac6f8] | 147 | def evalDistribution(self, x=[]): |
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| 148 | """ |
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| 149 | Evaluate the model in cartesian coordinates |
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| 150 | |
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| 151 | :param x: input q[], or [qx[], qy[]] |
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| 152 | |
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| 153 | :return: scattering function P(q[]) |
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| 154 | |
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[ec658c85] | 155 | """ |
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| 156 | return CCoreFourShellModel.evalDistribution(self, x) |
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| 157 | |
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| 158 | def calculate_ER(self): |
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[79ac6f8] | 159 | """ |
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| 160 | Calculate the effective radius for P(q)*S(q) |
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| 161 | |
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| 162 | :return: the value of the effective radius |
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| 163 | |
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[ec658c85] | 164 | """ |
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| 165 | return CCoreFourShellModel.calculate_ER(self) |
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| 166 | |
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| 167 | def set_dispersion(self, parameter, dispersion): |
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| 168 | """ |
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[79ac6f8] | 169 | Set the dispersion object for a model parameter |
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| 170 | |
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| 171 | :param parameter: name of the parameter [string] |
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| 172 | :param dispersion: dispersion object of type DispersionModel |
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| 173 | |
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[ec658c85] | 174 | """ |
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| 175 | return CCoreFourShellModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 176 | |
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| 177 | |
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| 178 | # End of file |
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