[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.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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[92df66f8] | 28 | from sans.models.sans_extension.c_models import CLamellarPSModel |
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[27a0771] | 29 | import copy |
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[96656e3] | 30 | |
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| 31 | def create_LamellarPSModel(): |
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| 32 | obj = LamellarPSModel() |
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| 33 | #CLamellarPSModel.__init__(obj) is called by LamellarPSModel constructor |
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| 34 | return obj |
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| 35 | |
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[27a0771] | 36 | class LamellarPSModel(CLamellarPSModel, BaseComponent): |
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[79ac6f8] | 37 | """ |
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| 38 | Class that evaluates a LamellarPSModel model. |
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| 39 | This file was auto-generated from ..\c_extensions\lamellarPS.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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[27a0771] | 43 | scale = 1.0 |
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| 44 | spacing = 400.0 [A] |
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| 45 | delta = 30.0 [A] |
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[92df66f8] | 46 | sld_bi = 6.3e-06 [1/A^(2)] |
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| 47 | sld_sol = 1e-06 [1/A^(2)] |
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[27a0771] | 48 | n_plates = 20.0 |
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| 49 | caille = 0.1 |
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| 50 | background = 0.0 [1/cm] |
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| 51 | |
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| 52 | """ |
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| 53 | |
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| 54 | def __init__(self): |
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| 55 | """ Initialization """ |
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| 56 | |
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| 57 | # Initialize BaseComponent first, then sphere |
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| 58 | BaseComponent.__init__(self) |
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[96656e3] | 59 | #apply(CLamellarPSModel.__init__, (self,)) |
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[27a0771] | 60 | CLamellarPSModel.__init__(self) |
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| 61 | |
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| 62 | ## Name of the model |
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| 63 | self.name = "LamellarPSModel" |
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| 64 | ## Model description |
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[9188cc1] | 65 | self.description ="""[Concentrated Lamellar Form Factor] Calculates the scattered |
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| 66 | intensity from a lyotropic lamellar phase. |
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| 67 | The intensity (form factor and structure |
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| 68 | factor)calculated is for lamellae of |
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| 69 | uniform scattering length density that |
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| 70 | are randomly distributed in solution |
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| 71 | (a powder average). The lamellae thickness |
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| 72 | is polydisperse. The model can also |
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[fbe5d3e] | 73 | be applied to large, multi-lamellar vesicles. |
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| 74 | No resolution smeared version is included |
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| 75 | in the structure factor of this model. |
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| 76 | *Parameters: spacing = repeat spacing, |
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| 77 | delta = bilayer thickness, |
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[f10063e] | 78 | sld_bi = SLD_bilayer |
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| 79 | sld_sol = SLD_solvent |
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[fbe5d3e] | 80 | n_plate = # of Lamellar plates |
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| 81 | caille = Caille parameter (<0.8 or <1) |
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| 82 | background = incoherent bgd |
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| 83 | scale = scale factor""" |
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[27a0771] | 84 | |
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[fe9c19b4] | 85 | ## Parameter details [units, min, max] |
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[27a0771] | 86 | self.details = {} |
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| 87 | self.details['scale'] = ['', None, None] |
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| 88 | self.details['spacing'] = ['[A]', None, None] |
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| 89 | self.details['delta'] = ['[A]', None, None] |
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[f10063e] | 90 | self.details['sld_bi'] = ['[1/A^(2)]', None, None] |
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| 91 | self.details['sld_sol'] = ['[1/A^(2)]', None, None] |
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[27a0771] | 92 | self.details['n_plates'] = ['', None, None] |
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| 93 | self.details['caille'] = ['', None, None] |
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| 94 | self.details['background'] = ['[1/cm]', None, None] |
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| 95 | |
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[fe9c19b4] | 96 | ## fittable parameters |
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[c1c29b6] | 97 | self.fixed=['delta.width', 'spacing.width'] |
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[27a0771] | 98 | |
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[35aface] | 99 | ## non-fittable parameters |
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[96656e3] | 100 | self.non_fittable = [] |
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[35aface] | 101 | |
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[27a0771] | 102 | ## parameters with orientation |
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[96656e3] | 103 | self.orientation_params = [] |
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[c7a7e1b] | 104 | |
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| 105 | def __setstate__(self, state): |
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| 106 | """ |
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| 107 | restore the state of a model from pickle |
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| 108 | """ |
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| 109 | self.__dict__, self.params, self.dispersion = state |
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| 110 | |
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[96656e3] | 111 | def __reduce_ex__(self, proto): |
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[79ac6f8] | 112 | """ |
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[96656e3] | 113 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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| 114 | c model. |
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[79ac6f8] | 115 | """ |
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[c7a7e1b] | 116 | state = (self.__dict__, self.params, self.dispersion) |
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| 117 | return (create_LamellarPSModel,tuple(), state, None, None) |
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[fe9c19b4] | 118 | |
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[96656e3] | 119 | def clone(self): |
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| 120 | """ Return a identical copy of self """ |
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| 121 | return self._clone(LamellarPSModel()) |
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[fe9c19b4] | 122 | |
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[27a0771] | 123 | |
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[79ac6f8] | 124 | def run(self, x=0.0): |
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| 125 | """ |
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| 126 | Evaluate the model |
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| 127 | |
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| 128 | :param x: input q, or [q,phi] |
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| 129 | |
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| 130 | :return: scattering function P(q) |
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| 131 | |
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[27a0771] | 132 | """ |
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| 133 | |
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| 134 | return CLamellarPSModel.run(self, x) |
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| 135 | |
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[79ac6f8] | 136 | def runXY(self, x=0.0): |
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| 137 | """ |
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| 138 | Evaluate the model in cartesian coordinates |
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| 139 | |
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| 140 | :param x: input q, or [qx, qy] |
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| 141 | |
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| 142 | :return: scattering function P(q) |
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| 143 | |
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[27a0771] | 144 | """ |
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| 145 | |
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| 146 | return CLamellarPSModel.runXY(self, x) |
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| 147 | |
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[79ac6f8] | 148 | def evalDistribution(self, x=[]): |
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| 149 | """ |
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| 150 | Evaluate the model in cartesian coordinates |
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| 151 | |
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| 152 | :param x: input q[], or [qx[], qy[]] |
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| 153 | |
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| 154 | :return: scattering function P(q[]) |
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| 155 | |
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[9bd69098] | 156 | """ |
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[f9a1279] | 157 | return CLamellarPSModel.evalDistribution(self, x) |
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[9bd69098] | 158 | |
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[5eb9154] | 159 | def calculate_ER(self): |
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[79ac6f8] | 160 | """ |
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| 161 | Calculate the effective radius for P(q)*S(q) |
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| 162 | |
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| 163 | :return: the value of the effective radius |
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| 164 | |
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[5eb9154] | 165 | """ |
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| 166 | return CLamellarPSModel.calculate_ER(self) |
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| 167 | |
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[27a0771] | 168 | def set_dispersion(self, parameter, dispersion): |
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| 169 | """ |
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[79ac6f8] | 170 | Set the dispersion object for a model parameter |
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| 171 | |
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| 172 | :param parameter: name of the parameter [string] |
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| 173 | :param dispersion: dispersion object of type DispersionModel |
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| 174 | |
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[27a0771] | 175 | """ |
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| 176 | return CLamellarPSModel.set_dispersion(self, parameter, dispersion.cdisp) |
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| 177 | |
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| 178 | |
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| 179 | # End of file |
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