[27a0771] | 1 | #!/usr/bin/env python |
---|
| 2 | |
---|
[79ac6f8] | 3 | ############################################################################## |
---|
| 4 | # This software was developed by the University of Tennessee as part of the |
---|
| 5 | # Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
---|
| 6 | # project funded by the US National Science Foundation. |
---|
| 7 | # |
---|
| 8 | # If you use DANSE applications to do scientific research that leads to |
---|
| 9 | # publication, we ask that you acknowledge the use of the software with the |
---|
| 10 | # following sentence: |
---|
| 11 | # |
---|
| 12 | # "This work benefited from DANSE software developed under NSF award DMR-0520547." |
---|
| 13 | # |
---|
| 14 | # copyright 2008, University of Tennessee |
---|
| 15 | ############################################################################## |
---|
[27a0771] | 16 | |
---|
| 17 | |
---|
[79ac6f8] | 18 | """ |
---|
| 19 | Provide functionality for a C extension model |
---|
[27a0771] | 20 | |
---|
[79ac6f8] | 21 | :WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
---|
| 22 | DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\lamellarPS_HG.h |
---|
| 23 | AND RE-RUN THE GENERATOR SCRIPT |
---|
[27a0771] | 24 | |
---|
| 25 | """ |
---|
| 26 | |
---|
| 27 | from sans.models.BaseComponent import BaseComponent |
---|
| 28 | from sans_extension.c_models import CLamellarPSHGModel |
---|
| 29 | import copy |
---|
| 30 | |
---|
| 31 | class LamellarPSHGModel(CLamellarPSHGModel, BaseComponent): |
---|
[79ac6f8] | 32 | """ |
---|
| 33 | Class that evaluates a LamellarPSHGModel model. |
---|
| 34 | This file was auto-generated from ..\c_extensions\lamellarPS_HG.h. |
---|
| 35 | Refer to that file and the structure it contains |
---|
| 36 | for details of the model. |
---|
| 37 | List of default parameters: |
---|
[27a0771] | 38 | scale = 1.0 |
---|
| 39 | spacing = 40.0 [A] |
---|
| 40 | deltaT = 10.0 [A] |
---|
| 41 | deltaH = 2.0 [A] |
---|
[27972c1d] | 42 | sld_tail = 4e-007 [1/A^(2)] |
---|
| 43 | sld_head = 2e-006 [1/A^(2)] |
---|
| 44 | sld_solvent = 6e-006 [1/A^(2)] |
---|
[27a0771] | 45 | n_plates = 30.0 |
---|
| 46 | caille = 0.001 |
---|
| 47 | background = 0.001 [1/cm] |
---|
| 48 | |
---|
| 49 | """ |
---|
| 50 | |
---|
| 51 | def __init__(self): |
---|
| 52 | """ Initialization """ |
---|
| 53 | |
---|
| 54 | # Initialize BaseComponent first, then sphere |
---|
| 55 | BaseComponent.__init__(self) |
---|
| 56 | CLamellarPSHGModel.__init__(self) |
---|
| 57 | |
---|
| 58 | ## Name of the model |
---|
| 59 | self.name = "LamellarPSHGModel" |
---|
| 60 | ## Model description |
---|
[9188cc1] | 61 | self.description ="""[Concentrated Lamellar (head+tail) Form Factor]: Calculates the |
---|
| 62 | intensity from a lyotropic lamellar phase. |
---|
| 63 | The intensity (form factor and structure factor) |
---|
| 64 | calculated is for lamellae of two-layer scattering |
---|
| 65 | length density that are randomly distributed in |
---|
| 66 | solution (a powder average). The scattering |
---|
| 67 | length density of the tail region, headgroup |
---|
| 68 | region, and solvent are taken to be different. |
---|
| 69 | The model can also be applied to large, |
---|
| 70 | multi-lamellar vesicles. |
---|
| 71 | No resolution smeared version is included |
---|
| 72 | in the structure factor of this model. |
---|
| 73 | *Parameters: spacing = repeat spacing, |
---|
| 74 | deltaT = tail length, |
---|
| 75 | deltaH = headgroup thickness, |
---|
| 76 | n_plates = # of Lamellar plates |
---|
| 77 | caille = Caille parameter (<0.8 or <1) |
---|
| 78 | background = incoherent bgd |
---|
| 79 | scale = scale factor ...""" |
---|
[27a0771] | 80 | |
---|
[fe9c19b4] | 81 | ## Parameter details [units, min, max] |
---|
[27a0771] | 82 | self.details = {} |
---|
| 83 | self.details['scale'] = ['', None, None] |
---|
| 84 | self.details['spacing'] = ['[A]', None, None] |
---|
| 85 | self.details['deltaT'] = ['[A]', None, None] |
---|
| 86 | self.details['deltaH'] = ['[A]', None, None] |
---|
[27972c1d] | 87 | self.details['sld_tail'] = ['[1/A^(2)]', None, None] |
---|
| 88 | self.details['sld_head'] = ['[1/A^(2)]', None, None] |
---|
| 89 | self.details['sld_solvent'] = ['[1/A^(2)]', None, None] |
---|
[27a0771] | 90 | self.details['n_plates'] = ['', None, None] |
---|
| 91 | self.details['caille'] = ['', None, None] |
---|
| 92 | self.details['background'] = ['[1/cm]', None, None] |
---|
| 93 | |
---|
[fe9c19b4] | 94 | ## fittable parameters |
---|
[9188cc1] | 95 | self.fixed=['deltaT.width', 'deltaH.width', 'spacing.width'] |
---|
[27a0771] | 96 | |
---|
| 97 | ## parameters with orientation |
---|
| 98 | self.orientation_params =[] |
---|
| 99 | |
---|
| 100 | def clone(self): |
---|
| 101 | """ Return a identical copy of self """ |
---|
| 102 | return self._clone(LamellarPSHGModel()) |
---|
[fe9c19b4] | 103 | |
---|
| 104 | def __getstate__(self): |
---|
[79ac6f8] | 105 | """ |
---|
| 106 | return object state for pickling and copying |
---|
| 107 | """ |
---|
[fe9c19b4] | 108 | model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log} |
---|
| 109 | |
---|
| 110 | return self.__dict__, model_state |
---|
| 111 | |
---|
| 112 | def __setstate__(self, state): |
---|
[79ac6f8] | 113 | """ |
---|
| 114 | create object from pickled state |
---|
| 115 | |
---|
| 116 | :param state: the state of the current model |
---|
| 117 | |
---|
| 118 | """ |
---|
[fe9c19b4] | 119 | |
---|
| 120 | self.__dict__, model_state = state |
---|
| 121 | self.params = model_state['params'] |
---|
| 122 | self.dispersion = model_state['dispersion'] |
---|
| 123 | self.log = model_state['log'] |
---|
| 124 | |
---|
[27a0771] | 125 | |
---|
[79ac6f8] | 126 | def run(self, x=0.0): |
---|
| 127 | """ |
---|
| 128 | Evaluate the model |
---|
| 129 | |
---|
| 130 | :param x: input q, or [q,phi] |
---|
| 131 | |
---|
| 132 | :return: scattering function P(q) |
---|
| 133 | |
---|
[27a0771] | 134 | """ |
---|
| 135 | |
---|
| 136 | return CLamellarPSHGModel.run(self, x) |
---|
| 137 | |
---|
[79ac6f8] | 138 | def runXY(self, x=0.0): |
---|
| 139 | """ |
---|
| 140 | Evaluate the model in cartesian coordinates |
---|
| 141 | |
---|
| 142 | :param x: input q, or [qx, qy] |
---|
| 143 | |
---|
| 144 | :return: scattering function P(q) |
---|
| 145 | |
---|
[27a0771] | 146 | """ |
---|
| 147 | |
---|
| 148 | return CLamellarPSHGModel.runXY(self, x) |
---|
| 149 | |
---|
[79ac6f8] | 150 | def evalDistribution(self, x=[]): |
---|
| 151 | """ |
---|
| 152 | Evaluate the model in cartesian coordinates |
---|
| 153 | |
---|
| 154 | :param x: input q[], or [qx[], qy[]] |
---|
| 155 | |
---|
| 156 | :return: scattering function P(q[]) |
---|
| 157 | |
---|
[870f131] | 158 | """ |
---|
[f9a1279] | 159 | return CLamellarPSHGModel.evalDistribution(self, x) |
---|
[870f131] | 160 | |
---|
[5eb9154] | 161 | def calculate_ER(self): |
---|
[79ac6f8] | 162 | """ |
---|
| 163 | Calculate the effective radius for P(q)*S(q) |
---|
| 164 | |
---|
| 165 | :return: the value of the effective radius |
---|
| 166 | |
---|
[5eb9154] | 167 | """ |
---|
| 168 | return CLamellarPSHGModel.calculate_ER(self) |
---|
| 169 | |
---|
[27a0771] | 170 | def set_dispersion(self, parameter, dispersion): |
---|
| 171 | """ |
---|
[79ac6f8] | 172 | Set the dispersion object for a model parameter |
---|
| 173 | |
---|
| 174 | :param parameter: name of the parameter [string] |
---|
| 175 | :param dispersion: dispersion object of type DispersionModel |
---|
| 176 | |
---|
[27a0771] | 177 | """ |
---|
| 178 | return CLamellarPSHGModel.set_dispersion(self, parameter, dispersion.cdisp) |
---|
| 179 | |
---|
| 180 | |
---|
| 181 | # End of file |
---|