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