1 | """ |
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2 | Class that holds a fit page state |
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3 | |
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4 | Pagestate fields reflect the names of the gui controls from the sasview 3.x |
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5 | fit page, so they are somewhat difficult to interpret. |
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6 | |
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7 | Pagestate attributes are as follows: |
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8 | |
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9 | # =>name: desc indicates the attribute is derived |
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10 | # name(xml): desc indicates the attribute name differs from the xml tag |
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11 | |
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12 | # SasView version which saved the file |
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13 | version: (4, 1, 2) from <fitting_plug_in version="major.minor.point"> |
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14 | |
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15 | # Session information |
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16 | group_id: unique id for fit page in running system (int) |
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17 | => data_group_id: unique id for data item in running system (None) |
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18 | |
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19 | # Data file |
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20 | data: contents of <SASdata> (Data1D or Data2D) |
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21 | data_name: filename + [num] (latex_smeared.xml [1]) |
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22 | data_id: filename + [num] + timestamp (latex_smeared.xml [1]1523303027.73) |
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23 | file: filename + [date time] (latex_smeared.xml [Apr 09 15:45]) |
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24 | name: ?? (None) |
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25 | npts: number of points (float) |
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26 | enable2D: True if data is 2D (or if model is 2D and no data) |
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27 | is_data: True (pagestate will not save if there is no data attached) |
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28 | |
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29 | # Data weighting |
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30 | dI_didata: True if dy = data.dy |
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31 | dI_idata: True if dy = data.y |
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32 | dI_noweight: True if dy = 1 |
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33 | dI_sqrdata: True if dy = sqrt(data.y) |
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34 | |
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35 | # Data selection |
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36 | qmax: maximum q (float) |
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37 | qmin: minimum q (float) |
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38 | => qmax_x: ?? (None) |
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39 | => qmin_x: ?? (None) |
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40 | |
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41 | # Resolution smearing |
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42 | enable_smearer: True if use data.dx |
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43 | disable_smearer: True if no smearing |
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44 | pinhole_smearer: True if custom pinhole smear |
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45 | slit_smearer: True if custom slit smear |
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46 | dq_l: 2D resolution <dQp> |
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47 | dq_r: 2D resolution <dQs> |
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48 | dx_old: True for 3.x version of custom pinhole, which used dx_min rather |
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49 | than dx_percent, with dx_percent interpreted as 100 * dx_percent/q[0] |
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50 | dx_percent: custom pinhole resolution percentage |
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51 | dxl: slit height for custom slit resolution |
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52 | dxw: slit width for custom slit resolution |
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53 | smearer: repr() for active smearer (None on load) |
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54 | smear_type: None (None on load) |
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55 | |
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56 | # Model selection |
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57 | categorycombobox: model category |
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58 | formfactorcombobox: model name (could be "[plug-in] name") |
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59 | structurecombobox: structure factor model name (string or None or "None") |
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60 | multi_factor: multiplicity (integer or None) |
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61 | magnetic_on: True if model is magnetic (only for 2D data for now) |
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62 | => model: active model object (None on load) |
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63 | |
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64 | # Model parameters |
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65 | # Parameter is a tuple with the following structure. The parentheses |
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66 | # indicate xml attribute for the <parameter .../> tag: |
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67 | # fitted(selected_to_fit): True if parameter is fitted |
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68 | # name(name): display name for the parameter (string) |
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69 | # value(value): displayed parameter value (string) |
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70 | # => plusminus: '+/-' (constant string) |
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71 | # => uncertainty: tuple |
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72 | # (uncertainty_displayed): True if there is an uncertainty |
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73 | # (uncertainty_value): displayed uncertainty (string) |
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74 | # => lower: tuple |
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75 | # (minimum_displayed): True if there is a lower bound |
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76 | # (minimum_value): displayed lower bound (string) |
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77 | # => upper: tuple |
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78 | # (maximum_displayed): True if there is a upper bound |
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79 | # (maximum_value): displayed upper bound (string) |
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80 | # units(unit): displayed units |
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81 | parameters: list of normal parameters |
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82 | fixed_param: list of non-fitting parameters (nsigma, npts in dispersity) |
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83 | fittable_param: list of fittable dispersity parameters (distribution width) |
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84 | str_parameters: list of selection parameters (e.g, shell forms in spherical_sld) |
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85 | orientation_params(orientation_parameters): list of orientation and |
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86 | magnetic parameters (already included in parameters, so safe to ignore) |
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87 | orientation_params_disp(dispersity_parameters): list of orientation |
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88 | disperisty parameters (already included in fixed_param and |
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89 | fittable_param so safe to ignore) |
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90 | |
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91 | # Dispersity controls |
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92 | enable_disp: True if dispersity parameters |
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93 | disable_disp: True if no dispersity parameters |
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94 | disp_obj_dict(disp_obj): {'parameter.width': 'dispersity distribution'} |
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95 | values: {'parameter.width': [array distribution parameter values] } |
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96 | weights: {'parameter.width': [array distribution parameter weights] } |
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97 | => disp_box 0 |
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98 | => disp_cb_dict {} |
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99 | => disp_list [] |
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100 | |
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101 | # Simultaneous fitting |
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102 | |
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103 | => images: None (initialized but unused?) |
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104 | => reset: False (initialized but unused?) |
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105 | => event_owner None |
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106 | => m_name None |
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107 | => manager None |
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108 | => page_name |
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109 | => param_toFit: [] |
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110 | => process: list of process done on object [] (maybe managed by guiframe?) |
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111 | => saved_states {} |
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112 | => cb1: False (simfit cb1 is now stored in select_all) |
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113 | |
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114 | tcChi 1.3463 |
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115 | theory_data None |
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116 | timestamp 1523303103.74 |
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117 | |
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118 | Constraint attributes are as follows: |
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119 | |
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120 | constraint_dict {} |
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121 | constraints_list |
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122 | {'model_cbox': 'M2', 'param_cbox': 'scale', 'egal_txt': ' = ', 'constraint': 'M1.scale'} |
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123 | {'model_cbox': 'M2', 'param_cbox': 'radius', 'egal_txt': ' = ', 'constraint': 'M1.radius'} |
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124 | {'model_cbox': 'M2', 'param_cbox': 'radius.width', 'egal_txt': ' = ', 'constraint': 'M1.radius.width'} |
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125 | fit_page_no None |
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126 | model_list |
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127 | {'fit_number': '393', 'checked': 'True', 'fit_page_source': 'M2', 'name': 'latex_smeared.xml [1]1523535051.03', 'model_name': 'sphere'} |
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128 | {'fit_number': '335', 'checked': 'True', 'fit_page_source': 'M1', 'name': 'latex_smeared.xml 1523535050.03', 'model_name': 'sphere'} |
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129 | model_to_fit |
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130 | no_constraint 0 |
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131 | select_all True |
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132 | |
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133 | |
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134 | """ |
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135 | # TODO: Refactor code so we don't need to use getattr/setattr |
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136 | ################################################################################ |
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137 | # This software was developed by the University of Tennessee as part of the |
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138 | # Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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139 | # project funded by the US National Science Foundation. |
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140 | # |
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141 | # See the license text in license.txt |
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142 | # |
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143 | # copyright 2009, University of Tennessee |
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144 | ################################################################################ |
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145 | import time |
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146 | import os |
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147 | import sys |
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148 | import copy |
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149 | import logging |
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150 | import numpy as np |
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151 | import traceback |
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152 | |
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153 | import xml.dom.minidom |
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154 | from xml.dom.minidom import parseString |
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155 | from xml.dom.minidom import getDOMImplementation |
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156 | from lxml import etree |
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157 | |
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158 | from sasmodels import convert |
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159 | import sasmodels.weights |
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160 | |
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161 | from sas.sasview import __version__ as SASVIEW_VERSION |
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162 | |
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163 | import sas.sascalc.dataloader |
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164 | from sas.sascalc.dataloader.readers.cansas_reader import Reader as CansasReader |
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165 | from sas.sascalc.dataloader.readers.cansas_reader import get_content, write_node |
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166 | from sas.sascalc.dataloader.data_info import Data2D, Collimation, Detector |
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167 | from sas.sascalc.dataloader.data_info import Process, Aperture |
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168 | |
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169 | logger = logging.getLogger(__name__) |
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170 | |
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171 | # Information to read/write state as xml |
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172 | FITTING_NODE_NAME = 'fitting_plug_in' |
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173 | CANSAS_NS = {"ns": "cansas1d/1.0"} |
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174 | |
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175 | CUSTOM_MODEL = 'Plugin Models' |
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176 | CUSTOM_MODEL_OLD = 'Customized Models' |
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177 | |
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178 | LIST_OF_DATA_ATTRIBUTES = [["is_data", "is_data", "bool"], |
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179 | ["group_id", "data_group_id", "string"], |
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180 | ["data_name", "data_name", "string"], |
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181 | ["data_id", "data_id", "string"], |
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182 | ["name", "name", "string"], |
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183 | ["data_name", "data_name", "string"]] |
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184 | LIST_OF_STATE_ATTRIBUTES = [["qmin", "qmin", "float"], |
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185 | ["qmax", "qmax", "float"], |
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186 | ["npts", "npts", "float"], |
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187 | ["categorycombobox", "categorycombobox", "string"], |
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188 | ["formfactorcombobox", "formfactorcombobox", |
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189 | "string"], |
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190 | ["structurecombobox", "structurecombobox", |
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191 | "string"], |
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192 | ["multi_factor", "multi_factor", "float"], |
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193 | ["magnetic_on", "magnetic_on", "bool"], |
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194 | ["enable_smearer", "enable_smearer", "bool"], |
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195 | ["disable_smearer", "disable_smearer", "bool"], |
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196 | ["pinhole_smearer", "pinhole_smearer", "bool"], |
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197 | ["slit_smearer", "slit_smearer", "bool"], |
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198 | ["enable_disp", "enable_disp", "bool"], |
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199 | ["disable_disp", "disable_disp", "bool"], |
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200 | ["dI_noweight", "dI_noweight", "bool"], |
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201 | ["dI_didata", "dI_didata", "bool"], |
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202 | ["dI_sqrdata", "dI_sqrdata", "bool"], |
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203 | ["dI_idata", "dI_idata", "bool"], |
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204 | ["enable2D", "enable2D", "bool"], |
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205 | ["cb1", "cb1", "bool"], |
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206 | ["tcChi", "tcChi", "float"], |
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207 | ["dq_l", "dq_l", "float"], |
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208 | ["dq_r", "dq_r", "float"], |
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209 | ["dx_percent", "dx_percent", "float"], |
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210 | ["dxl", "dxl", "float"], |
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211 | ["dxw", "dxw", "float"]] |
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212 | |
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213 | LIST_OF_MODEL_ATTRIBUTES = [["values", "values"], |
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214 | ["weights", "weights"]] |
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215 | |
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216 | DISPERSION_LIST = [["disp_obj_dict", "disp_obj_dict", "string"]] |
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217 | |
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218 | LIST_OF_STATE_PARAMETERS = [["parameters", "parameters"], |
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219 | ["str_parameters", "str_parameters"], |
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220 | ["orientation_parameters", "orientation_params"], |
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221 | ["dispersity_parameters", |
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222 | "orientation_params_disp"], |
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223 | ["fixed_param", "fixed_param"], |
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224 | ["fittable_param", "fittable_param"]] |
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225 | LIST_OF_DATA_2D_ATTR = [["xmin", "xmin", "float"], |
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226 | ["xmax", "xmax", "float"], |
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227 | ["ymin", "ymin", "float"], |
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228 | ["ymax", "ymax", "float"], |
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229 | ["_xaxis", "_xaxis", "string"], |
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230 | ["_xunit", "_xunit", "string"], |
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231 | ["_yaxis", "_yaxis", "string"], |
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232 | ["_yunit", "_yunit", "string"], |
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233 | ["_zaxis", "_zaxis", "string"], |
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234 | ["_zunit", "_zunit", "string"]] |
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235 | LIST_OF_DATA_2D_VALUES = [["qx_data", "qx_data", "float"], |
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236 | ["qy_data", "qy_data", "float"], |
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237 | ["dqx_data", "dqx_data", "float"], |
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238 | ["dqy_data", "dqy_data", "float"], |
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239 | ["data", "data", "float"], |
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240 | ["q_data", "q_data", "float"], |
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241 | ["err_data", "err_data", "float"], |
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242 | ["mask", "mask", "bool"]] |
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243 | |
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244 | |
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245 | def parse_entry_helper(node, item): |
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246 | """ |
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247 | Create a numpy list from value extrated from the node |
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248 | |
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249 | :param node: node from each the value is stored |
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250 | :param item: list name of three strings.the two first are name of data |
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251 | attribute and the third one is the type of the value of that |
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252 | attribute. type can be string, float, bool, etc. |
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253 | |
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254 | : return: numpy array |
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255 | """ |
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256 | if node is not None: |
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257 | if item[2] == "string": |
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258 | return str(node.get(item[0]).strip()) |
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259 | elif item[2] == "bool": |
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260 | try: |
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261 | return node.get(item[0]).strip() == "True" |
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262 | except Exception: |
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263 | return None |
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264 | else: |
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265 | try: |
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266 | return float(node.get(item[0])) |
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267 | except Exception: |
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268 | return None |
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269 | |
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270 | |
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271 | class PageState(object): |
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272 | """ |
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273 | Contains information to reconstruct a page of the fitpanel. |
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274 | """ |
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275 | def __init__(self, model=None, data=None): |
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276 | """ |
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277 | Initialize the current state |
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278 | |
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279 | :param model: a selected model within a page |
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280 | :param data: |
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281 | |
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282 | """ |
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283 | self.file = None |
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284 | # Time of state creation |
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285 | self.timestamp = time.time() |
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286 | # Data member to store the dispersion object created |
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287 | self.disp_obj_dict = {} |
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288 | # ------------------------ |
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289 | # Data used for fitting |
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290 | self.data = data |
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291 | # model data |
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292 | self.theory_data = None |
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293 | # Is 2D |
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294 | self.images = None |
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295 | |
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296 | # save additional information on data that dataloader.reader |
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297 | # does not read |
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298 | self.is_data = None |
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299 | self.data_name = "" |
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300 | |
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301 | if self.data is not None: |
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302 | self.data_name = self.data.name |
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303 | self.data_id = None |
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304 | if self.data is not None and hasattr(self.data, "id"): |
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305 | self.data_id = self.data.id |
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306 | self.data_group_id = None |
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307 | if self.data is not None and hasattr(self.data, "group_id"): |
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308 | self.data_group_id = self.data.group_id |
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309 | |
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310 | # reset True change the state of existing button |
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311 | self.reset = False |
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312 | |
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313 | # flag to allow data2D plot |
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314 | self.enable2D = False |
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315 | # model on which the fit would be performed |
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316 | self.model = model |
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317 | self.m_name = None |
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318 | # list of process done to model |
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319 | self.process = [] |
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320 | # fit page manager |
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321 | self.manager = None |
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322 | # Event_owner is the owner of model event |
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323 | self.event_owner = None |
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324 | # page name |
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325 | self.page_name = "" |
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326 | # Contains link between model, its parameters, and panel organization |
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327 | self.parameters = [] |
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328 | # String parameter list that can not be fitted |
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329 | self.str_parameters = [] |
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330 | # Contains list of parameters that cannot be fitted and reference to |
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331 | # panel objects |
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332 | self.fixed_param = [] |
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333 | # Contains list of parameters with dispersity and reference to |
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334 | # panel objects |
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335 | self.fittable_param = [] |
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336 | # orientation parameters |
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337 | self.orientation_params = [] |
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338 | # orientation parameters for gaussian dispersity |
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339 | self.orientation_params_disp = [] |
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340 | self.dq_l = None |
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341 | self.dq_r = None |
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342 | self.dx_percent = None |
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343 | self.dx_old = False |
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344 | self.dxl = None |
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345 | self.dxw = None |
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346 | # list of dispersion parameters |
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347 | self.disp_list = [] |
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348 | if self.model is not None: |
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349 | self.disp_list = self.model.getDispParamList() |
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350 | |
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351 | self.disp_cb_dict = {} |
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352 | self.values = {} |
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353 | self.weights = {} |
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354 | |
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355 | # contains link between a model and selected parameters to fit |
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356 | self.param_toFit = [] |
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357 | # save the state of the context menu |
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358 | self.saved_states = {} |
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359 | # save selection of combobox |
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360 | self.formfactorcombobox = None |
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361 | self.categorycombobox = None |
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362 | self.structurecombobox = None |
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363 | |
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364 | # radio box to select type of model |
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365 | # self.shape_rbutton = False |
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366 | # self.shape_indep_rbutton = False |
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367 | # self.struct_rbutton = False |
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368 | # self.plugin_rbutton = False |
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369 | # the indice of the current selection |
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370 | self.disp_box = 0 |
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371 | # Qrange |
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372 | # Q range |
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373 | self.qmin = 0.001 |
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374 | self.qmax = 0.1 |
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375 | # reset data range |
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376 | self.qmax_x = None |
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377 | self.qmin_x = None |
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378 | |
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379 | self.npts = None |
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380 | self.name = "" |
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381 | self.multi_factor = None |
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382 | self.magnetic_on = False |
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383 | # enable smearering state |
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384 | self.enable_smearer = False |
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385 | self.disable_smearer = True |
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386 | self.pinhole_smearer = False |
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387 | self.slit_smearer = False |
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388 | # weighting options |
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389 | self.dI_noweight = False |
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390 | self.dI_didata = True |
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391 | self.dI_sqrdata = False |
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392 | self.dI_idata = False |
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393 | # disperity selection |
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394 | self.enable_disp = False |
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395 | self.disable_disp = True |
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396 | |
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397 | # state of selected all check button |
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398 | self.cb1 = False |
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399 | # store value of chisqr |
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400 | self.tcChi = None |
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401 | self.version = (1, 0, 0) |
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402 | |
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403 | def clone(self): |
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404 | """ |
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405 | Create a new copy of the current object |
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406 | """ |
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407 | model = None |
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408 | if self.model is not None: |
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409 | model = self.model.clone() |
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410 | model.name = self.model.name |
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411 | obj = PageState(model=model) |
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412 | obj.file = copy.deepcopy(self.file) |
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413 | obj.data = copy.deepcopy(self.data) |
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414 | if self.data is not None: |
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415 | self.data_name = self.data.name |
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416 | obj.data_name = self.data_name |
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417 | obj.is_data = self.is_data |
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418 | |
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419 | obj.categorycombobox = self.categorycombobox |
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420 | obj.formfactorcombobox = self.formfactorcombobox |
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421 | obj.structurecombobox = self.structurecombobox |
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422 | |
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423 | # obj.shape_rbutton = self.shape_rbutton |
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424 | # obj.shape_indep_rbutton = self.shape_indep_rbutton |
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425 | # obj.struct_rbutton = self.struct_rbutton |
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426 | # obj.plugin_rbutton = self.plugin_rbutton |
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427 | |
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428 | obj.manager = self.manager |
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429 | obj.event_owner = self.event_owner |
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430 | obj.disp_list = copy.deepcopy(self.disp_list) |
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431 | |
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432 | obj.enable2D = copy.deepcopy(self.enable2D) |
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433 | obj.parameters = copy.deepcopy(self.parameters) |
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434 | obj.str_parameters = copy.deepcopy(self.str_parameters) |
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435 | obj.fixed_param = copy.deepcopy(self.fixed_param) |
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436 | obj.fittable_param = copy.deepcopy(self.fittable_param) |
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437 | obj.orientation_params = copy.deepcopy(self.orientation_params) |
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438 | obj.orientation_params_disp = \ |
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439 | copy.deepcopy(self.orientation_params_disp) |
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440 | obj.enable_disp = copy.deepcopy(self.enable_disp) |
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441 | obj.disable_disp = copy.deepcopy(self.disable_disp) |
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442 | obj.tcChi = self.tcChi |
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443 | |
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444 | if len(self.disp_obj_dict) > 0: |
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445 | for k, v in self.disp_obj_dict.items(): |
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446 | obj.disp_obj_dict[k] = v |
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447 | if len(self.disp_cb_dict) > 0: |
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448 | for k, v in self.disp_cb_dict.items(): |
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449 | obj.disp_cb_dict[k] = v |
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450 | if len(self.values) > 0: |
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451 | for k, v in self.values.items(): |
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452 | obj.values[k] = v |
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453 | if len(self.weights) > 0: |
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454 | for k, v in self.weights.items(): |
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455 | obj.weights[k] = v |
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456 | obj.enable_smearer = copy.deepcopy(self.enable_smearer) |
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457 | obj.disable_smearer = copy.deepcopy(self.disable_smearer) |
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458 | obj.pinhole_smearer = copy.deepcopy(self.pinhole_smearer) |
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459 | obj.slit_smearer = copy.deepcopy(self.slit_smearer) |
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460 | obj.dI_noweight = copy.deepcopy(self.dI_noweight) |
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461 | obj.dI_didata = copy.deepcopy(self.dI_didata) |
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462 | obj.dI_sqrdata = copy.deepcopy(self.dI_sqrdata) |
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463 | obj.dI_idata = copy.deepcopy(self.dI_idata) |
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464 | obj.dq_l = copy.deepcopy(self.dq_l) |
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465 | obj.dq_r = copy.deepcopy(self.dq_r) |
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466 | obj.dx_percent = copy.deepcopy(self.dx_percent) |
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467 | obj.dx_old = copy.deepcopy(self.dx_old) |
---|
468 | obj.dxl = copy.deepcopy(self.dxl) |
---|
469 | obj.dxw = copy.deepcopy(self.dxw) |
---|
470 | obj.disp_box = copy.deepcopy(self.disp_box) |
---|
471 | obj.qmin = copy.deepcopy(self.qmin) |
---|
472 | obj.qmax = copy.deepcopy(self.qmax) |
---|
473 | obj.multi_factor = self.multi_factor |
---|
474 | obj.magnetic_on = self.magnetic_on |
---|
475 | obj.npts = copy.deepcopy(self.npts) |
---|
476 | obj.cb1 = copy.deepcopy(self.cb1) |
---|
477 | obj.version = copy.deepcopy(self.version) |
---|
478 | |
---|
479 | for name, state in self.saved_states.items(): |
---|
480 | copy_name = copy.deepcopy(name) |
---|
481 | copy_state = state.clone() |
---|
482 | obj.saved_states[copy_name] = copy_state |
---|
483 | return obj |
---|
484 | |
---|
485 | def _old_first_model(self): |
---|
486 | """ |
---|
487 | Handle save states from 4.0.1 and before where the first item in the |
---|
488 | selection boxes of category, formfactor and structurefactor were not |
---|
489 | saved. |
---|
490 | :return: None |
---|
491 | """ |
---|
492 | if self.categorycombobox == CUSTOM_MODEL_OLD: |
---|
493 | self.categorycombobox = CUSTOM_MODEL |
---|
494 | if self.formfactorcombobox == '': |
---|
495 | FIRST_FORM = { |
---|
496 | 'Shapes' : 'BCCrystalModel', |
---|
497 | 'Uncategorized' : 'LineModel', |
---|
498 | 'StructureFactor' : 'HardsphereStructure', |
---|
499 | 'Ellipsoid' : 'core_shell_ellipsoid', |
---|
500 | 'Lamellae' : 'lamellar', |
---|
501 | 'Paracrystal' : 'bcc_paracrystal', |
---|
502 | 'Parallelepiped' : 'core_shell_parallelepiped', |
---|
503 | 'Shape Independent' : 'be_polyelectrolyte', |
---|
504 | 'Sphere' : 'adsorbed_layer', |
---|
505 | 'Structure Factor' : 'hardsphere', |
---|
506 | CUSTOM_MODEL : '' |
---|
507 | } |
---|
508 | if self.categorycombobox == '': |
---|
509 | if len(self.parameters) == 3: |
---|
510 | self.categorycombobox = "Shape-Independent" |
---|
511 | self.formfactorcombobox = 'PowerLawAbsModel' |
---|
512 | elif len(self.parameters) == 9: |
---|
513 | self.categorycombobox = 'Cylinder' |
---|
514 | self.formfactorcombobox = 'barbell' |
---|
515 | else: |
---|
516 | msg = "Save state does not have enough information to load" |
---|
517 | msg += " the all of the data." |
---|
518 | logger.warning(msg=msg) |
---|
519 | else: |
---|
520 | self.formfactorcombobox = FIRST_FORM[self.categorycombobox] |
---|
521 | |
---|
522 | @staticmethod |
---|
523 | def param_remap_to_sasmodels_convert(params, is_string=False): |
---|
524 | """ |
---|
525 | Remaps the parameters for sasmodels conversion |
---|
526 | |
---|
527 | :param params: list of parameters (likely self.parameters) |
---|
528 | :return: remapped dictionary of parameters |
---|
529 | """ |
---|
530 | p = dict() |
---|
531 | for fittable, name, value, _, uncert, lower, upper, units in params: |
---|
532 | if not value: |
---|
533 | value = np.nan |
---|
534 | if not uncert or uncert[1] == '' or uncert[1] == 'None': |
---|
535 | uncert[0] = False |
---|
536 | uncert[1] = np.nan |
---|
537 | if not upper or upper[1] == '' or upper[1] == 'None': |
---|
538 | upper[0] = False |
---|
539 | upper[1] = np.nan |
---|
540 | if not lower or lower[1] == '' or lower[1] == 'None': |
---|
541 | lower[0] = False |
---|
542 | lower[1] = np.nan |
---|
543 | if is_string: |
---|
544 | p[name] = str(value) |
---|
545 | else: |
---|
546 | p[name] = float(value) |
---|
547 | p[name + ".fittable"] = bool(fittable) |
---|
548 | p[name + ".std"] = float(uncert[1]) |
---|
549 | p[name + ".upper"] = float(upper[1]) |
---|
550 | p[name + ".lower"] = float(lower[1]) |
---|
551 | p[name + ".units"] = units |
---|
552 | return p |
---|
553 | |
---|
554 | @staticmethod |
---|
555 | def param_remap_from_sasmodels_convert(params): |
---|
556 | """ |
---|
557 | Converts {name : value} map back to [] param list |
---|
558 | :param params: parameter map returned from sasmodels |
---|
559 | :return: None |
---|
560 | """ |
---|
561 | p_map = [] |
---|
562 | for name, info in params.items(): |
---|
563 | if ".fittable" in name or ".std" in name or ".upper" in name or \ |
---|
564 | ".lower" in name or ".units" in name: |
---|
565 | pass |
---|
566 | else: |
---|
567 | fittable = params.get(name + ".fittable", True) |
---|
568 | std = params.get(name + ".std", '0.0') |
---|
569 | upper = params.get(name + ".upper", 'inf') |
---|
570 | lower = params.get(name + ".lower", '-inf') |
---|
571 | units = params.get(name + ".units") |
---|
572 | if std is not None and std is not np.nan: |
---|
573 | std = [True, str(std)] |
---|
574 | else: |
---|
575 | std = [False, ''] |
---|
576 | if lower is not None and lower is not np.nan: |
---|
577 | lower = [True, str(lower)] |
---|
578 | else: |
---|
579 | lower = [True, '-inf'] |
---|
580 | if upper is not None and upper is not np.nan: |
---|
581 | upper = [True, str(upper)] |
---|
582 | else: |
---|
583 | upper = [True, 'inf'] |
---|
584 | param_list = [bool(fittable), str(name), str(info), |
---|
585 | "+/-", std, lower, upper, str(units)] |
---|
586 | p_map.append(param_list) |
---|
587 | return p_map |
---|
588 | |
---|
589 | def _convert_to_sasmodels(self): |
---|
590 | """ |
---|
591 | Convert parameters to a form usable by sasmodels converter |
---|
592 | |
---|
593 | :return: None |
---|
594 | """ |
---|
595 | # Create conversion dictionary to send to sasmodels |
---|
596 | self._old_first_model() |
---|
597 | p = self.param_remap_to_sasmodels_convert(self.parameters) |
---|
598 | structurefactor, params = convert.convert_model(self.structurecombobox, |
---|
599 | p, False, self.version) |
---|
600 | formfactor, params = convert.convert_model(self.formfactorcombobox, |
---|
601 | params, False, self.version) |
---|
602 | if len(self.str_parameters) > 0: |
---|
603 | str_pars = self.param_remap_to_sasmodels_convert( |
---|
604 | self.str_parameters, True) |
---|
605 | formfactor, str_params = convert.convert_model( |
---|
606 | self.formfactorcombobox, str_pars, False, self.version) |
---|
607 | for key, value in str_params.items(): |
---|
608 | params[key] = value |
---|
609 | |
---|
610 | if self.formfactorcombobox == 'SphericalSLDModel': |
---|
611 | self.multi_factor += 1 |
---|
612 | self.formfactorcombobox = formfactor |
---|
613 | self.structurecombobox = structurefactor |
---|
614 | self.parameters = [] |
---|
615 | self.parameters = self.param_remap_from_sasmodels_convert(params) |
---|
616 | |
---|
617 | def _repr_helper(self, list, rep): |
---|
618 | """ |
---|
619 | Helper method to print a state |
---|
620 | """ |
---|
621 | for item in list: |
---|
622 | rep += "parameter name: %s \n" % str(item[1]) |
---|
623 | rep += "value: %s\n" % str(item[2]) |
---|
624 | rep += "selected: %s\n" % str(item[0]) |
---|
625 | rep += "error displayed : %s \n" % str(item[4][0]) |
---|
626 | rep += "error value:%s \n" % str(item[4][1]) |
---|
627 | rep += "minimum displayed : %s \n" % str(item[5][0]) |
---|
628 | rep += "minimum value : %s \n" % str(item[5][1]) |
---|
629 | rep += "maximum displayed : %s \n" % str(item[6][0]) |
---|
630 | rep += "maximum value : %s \n" % str(item[6][1]) |
---|
631 | rep += "parameter unit: %s\n\n" % str(item[7]) |
---|
632 | return rep |
---|
633 | |
---|
634 | def __repr__(self): |
---|
635 | """ |
---|
636 | output string for printing |
---|
637 | """ |
---|
638 | rep = "\nState name: %s\n" % self.file |
---|
639 | t = time.localtime(self.timestamp) |
---|
640 | time_str = time.strftime("%b %d %Y %H:%M:%S ", t) |
---|
641 | |
---|
642 | rep += "State created: %s\n" % time_str |
---|
643 | rep += "State form factor combobox selection: %s\n" % \ |
---|
644 | self.formfactorcombobox |
---|
645 | rep += "State structure factor combobox selection: %s\n" % \ |
---|
646 | self.structurecombobox |
---|
647 | rep += "is data : %s\n" % self.is_data |
---|
648 | rep += "data's name : %s\n" % self.data_name |
---|
649 | rep += "data's id : %s\n" % self.data_id |
---|
650 | if self.model is not None: |
---|
651 | m_name = self.model.__class__.__name__ |
---|
652 | if m_name == 'Model': |
---|
653 | m_name = self.m_name |
---|
654 | rep += "model name : %s\n" % m_name |
---|
655 | else: |
---|
656 | rep += "model name : None\n" |
---|
657 | rep += "multi_factor : %s\n" % str(self.multi_factor) |
---|
658 | rep += "magnetic_on : %s\n" % str(self.magnetic_on) |
---|
659 | rep += "model type (Category) selected: %s\n" % self.categorycombobox |
---|
660 | rep += "data : %s\n" % str(self.data) |
---|
661 | rep += "Plotting Range: min: %s, max: %s, steps: %s\n" % \ |
---|
662 | (str(self.qmin), str(self.qmax), str(self.npts)) |
---|
663 | rep += "Dispersion selection : %s\n" % str(self.disp_box) |
---|
664 | rep += "Smearing enable : %s\n" % str(self.enable_smearer) |
---|
665 | rep += "Smearing disable : %s\n" % str(self.disable_smearer) |
---|
666 | rep += "Pinhole smearer enable : %s\n" % str(self.pinhole_smearer) |
---|
667 | rep += "Slit smearer enable : %s\n" % str(self.slit_smearer) |
---|
668 | rep += "Dispersity enable : %s\n" % str(self.enable_disp) |
---|
669 | rep += "Dispersity disable : %s\n" % str(self.disable_disp) |
---|
670 | rep += "Slit smearer enable: %s\n" % str(self.slit_smearer) |
---|
671 | |
---|
672 | rep += "dI_noweight : %s\n" % str(self.dI_noweight) |
---|
673 | rep += "dI_didata : %s\n" % str(self.dI_didata) |
---|
674 | rep += "dI_sqrdata : %s\n" % str(self.dI_sqrdata) |
---|
675 | rep += "dI_idata : %s\n" % str(self.dI_idata) |
---|
676 | |
---|
677 | rep += "2D enable : %s\n" % str(self.enable2D) |
---|
678 | rep += "All parameters checkbox selected: %s\n" % self.cb1 |
---|
679 | rep += "Value of Chisqr : %s\n" % str(self.tcChi) |
---|
680 | rep += "dq_l : %s\n" % self.dq_l |
---|
681 | rep += "dq_r : %s\n" % self.dq_r |
---|
682 | rep += "dx_percent : %s\n" % str(self.dx_percent) |
---|
683 | rep += "dxl : %s\n" % str(self.dxl) |
---|
684 | rep += "dxw : %s\n" % str(self.dxw) |
---|
685 | rep += "model : %s\n\n" % str(self.model) |
---|
686 | temp_parameters = [] |
---|
687 | temp_fittable_param = [] |
---|
688 | if self.data is not None: |
---|
689 | is_2D = (self.data.__class__.__name__ == "Data2D") |
---|
690 | if not is_2D: |
---|
691 | for item in self.parameters: |
---|
692 | if item not in self.orientation_params: |
---|
693 | temp_parameters.append(item) |
---|
694 | for item in self.fittable_param: |
---|
695 | if item not in self.orientation_params_disp: |
---|
696 | temp_fittable_param.append(item) |
---|
697 | else: |
---|
698 | temp_parameters = self.parameters |
---|
699 | temp_fittable_param = self.fittable_param |
---|
700 | |
---|
701 | rep += "number parameters(self.parameters): %s\n" % \ |
---|
702 | len(temp_parameters) |
---|
703 | rep = self._repr_helper(list=temp_parameters, rep=rep) |
---|
704 | rep += "number str_parameters(self.str_parameters): %s\n" % \ |
---|
705 | len(self.str_parameters) |
---|
706 | rep = self._repr_helper(list=self.str_parameters, rep=rep) |
---|
707 | rep += "number fittable_param(self.fittable_param): %s\n" % \ |
---|
708 | len(temp_fittable_param) |
---|
709 | rep = self._repr_helper(list=temp_fittable_param, rep=rep) |
---|
710 | return rep |
---|
711 | |
---|
712 | def _get_report_string(self): |
---|
713 | """ |
---|
714 | Get the values (strings) from __str__ for report |
---|
715 | """ |
---|
716 | # Dictionary of the report strings |
---|
717 | repo_time = "" |
---|
718 | model_name = "" |
---|
719 | title = "" |
---|
720 | title_name = "" |
---|
721 | file_name = "" |
---|
722 | param_string = "" |
---|
723 | paramval_string = "" |
---|
724 | chi2_string = "" |
---|
725 | q_range = "" |
---|
726 | strings = self.__repr__() |
---|
727 | fixed_parameter = False |
---|
728 | lines = strings.split('\n') |
---|
729 | # get all string values from __str__() |
---|
730 | for line in lines: |
---|
731 | # Skip lines which are not key: value pairs, which includes |
---|
732 | # blank lines and freeform notes in SASNotes fields. |
---|
733 | if not ':' in line: |
---|
734 | #msg = "Report string expected 'name: value' but got %r" % line |
---|
735 | #logger.error(msg) |
---|
736 | continue |
---|
737 | |
---|
738 | name, value = [s.strip() for s in line.split(":", 1)] |
---|
739 | if name == "State created": |
---|
740 | repo_time = value |
---|
741 | elif name == "parameter name": |
---|
742 | val_name = value.split(".") |
---|
743 | if len(val_name) > 1: |
---|
744 | if val_name[1].count("width"): |
---|
745 | param_string += value + ',' |
---|
746 | else: |
---|
747 | continue |
---|
748 | else: |
---|
749 | param_string += value + ',' |
---|
750 | elif name == "value": |
---|
751 | param_string += value + ',' |
---|
752 | elif name == "selected": |
---|
753 | # remember if it is fixed when reporting error value |
---|
754 | fixed_parameter = (value == u'False') |
---|
755 | elif name == "error value": |
---|
756 | if fixed_parameter: |
---|
757 | param_string += '(fixed),' |
---|
758 | else: |
---|
759 | param_string += value + ',' |
---|
760 | elif name == "parameter unit": |
---|
761 | param_string += value + ':' |
---|
762 | elif name == "Value of Chisqr": |
---|
763 | chi2 = ("Chi2/Npts = " + value) |
---|
764 | chi2_string = CENTRE % chi2 |
---|
765 | elif name == "Title": |
---|
766 | if len(value.strip()) == 0: |
---|
767 | continue |
---|
768 | title = value + " [" + repo_time + "]" |
---|
769 | title_name = HEADER % title |
---|
770 | elif name == "data": |
---|
771 | try: |
---|
772 | # parsing "data : File: filename [mmm dd hh:mm]" |
---|
773 | name = value.split(':', 1)[1].strip() |
---|
774 | file_value = "File name:" + name |
---|
775 | file_name = CENTRE % file_value |
---|
776 | if len(title) == 0: |
---|
777 | title = name + " [" + repo_time + "]" |
---|
778 | title_name = HEADER % title |
---|
779 | except Exception: |
---|
780 | msg = "While parsing 'data: ...'\n" |
---|
781 | logger.error(msg + traceback.format_exc()) |
---|
782 | elif name == "model name": |
---|
783 | try: |
---|
784 | modelname = "Model name:" + value |
---|
785 | except Exception: |
---|
786 | modelname = "Model name:" + " NAN" |
---|
787 | model_name = CENTRE % modelname |
---|
788 | |
---|
789 | elif name == "Plotting Range": |
---|
790 | try: |
---|
791 | parts = value.split(':') |
---|
792 | q_range = parts[0] + " = " + parts[1] \ |
---|
793 | + " = " + parts[2].split(",")[0] |
---|
794 | q_name = ("Q Range: " + q_range) |
---|
795 | q_range = CENTRE % q_name |
---|
796 | except Exception: |
---|
797 | msg = "While parsing 'Plotting Range: ...'\n" |
---|
798 | logger.error(msg + traceback.format_exc()) |
---|
799 | |
---|
800 | paramval = "" |
---|
801 | for lines in param_string.split(":"): |
---|
802 | line = lines.split(",") |
---|
803 | if len(lines) > 0: |
---|
804 | param = line[0] |
---|
805 | param += " = " + line[1] |
---|
806 | if len(line[2].split()) > 0 and not line[2].count("None"): |
---|
807 | param += " +- " + line[2] |
---|
808 | if len(line[3].split()) > 0 and not line[3].count("None"): |
---|
809 | param += " " + line[3] |
---|
810 | if not paramval.count(param): |
---|
811 | paramval += param + "\n" |
---|
812 | paramval_string += CENTRE % param + "\n" |
---|
813 | |
---|
814 | text_string = "\n\n\n%s\n\n%s\n%s\n%s\n\n%s" % \ |
---|
815 | (title, file, q_name, chi2, paramval) |
---|
816 | |
---|
817 | title_name = self._check_html_format(title_name) |
---|
818 | file_name = self._check_html_format(file_name) |
---|
819 | title = self._check_html_format(title) |
---|
820 | |
---|
821 | html_string = title_name + "\n" + file_name + \ |
---|
822 | "\n" + model_name + \ |
---|
823 | "\n" + q_range + \ |
---|
824 | "\n" + chi2_string + \ |
---|
825 | "\n" + ELINE + \ |
---|
826 | "\n" + paramval_string + \ |
---|
827 | "\n" + ELINE + \ |
---|
828 | "\n" + FEET_1 % title |
---|
829 | |
---|
830 | return html_string, text_string, title |
---|
831 | |
---|
832 | def _check_html_format(self, name): |
---|
833 | """ |
---|
834 | Check string '%' for html format |
---|
835 | """ |
---|
836 | if name.count('%'): |
---|
837 | name = name.replace('%', '%') |
---|
838 | |
---|
839 | return name |
---|
840 | |
---|
841 | def report(self, fig_urls): |
---|
842 | """ |
---|
843 | Invoke report dialog panel |
---|
844 | |
---|
845 | : param figs: list of pylab figures [list] |
---|
846 | """ |
---|
847 | # get the strings for report |
---|
848 | html_str, text_str, title = self._get_report_string() |
---|
849 | # Allow 2 figures to append |
---|
850 | image_links = [FEET_2%fig for fig in fig_urls] |
---|
851 | |
---|
852 | # final report html strings |
---|
853 | report_str = html_str + ELINE.join(image_links) |
---|
854 | |
---|
855 | return report_str, text_str |
---|
856 | |
---|
857 | def _to_xml_helper(self, thelist, element, newdoc): |
---|
858 | """ |
---|
859 | Helper method to create xml file for saving state |
---|
860 | """ |
---|
861 | for item in thelist: |
---|
862 | sub_element = newdoc.createElement('parameter') |
---|
863 | sub_element.setAttribute('name', str(item[1])) |
---|
864 | sub_element.setAttribute('value', str(item[2])) |
---|
865 | sub_element.setAttribute('selected_to_fit', str(item[0])) |
---|
866 | sub_element.setAttribute('error_displayed', str(item[4][0])) |
---|
867 | sub_element.setAttribute('error_value', str(item[4][1])) |
---|
868 | sub_element.setAttribute('minimum_displayed', str(item[5][0])) |
---|
869 | sub_element.setAttribute('minimum_value', str(item[5][1])) |
---|
870 | sub_element.setAttribute('maximum_displayed', str(item[6][0])) |
---|
871 | sub_element.setAttribute('maximum_value', str(item[6][1])) |
---|
872 | sub_element.setAttribute('unit', str(item[7])) |
---|
873 | element.appendChild(sub_element) |
---|
874 | |
---|
875 | def to_xml(self, file="fitting_state.fitv", doc=None, |
---|
876 | entry_node=None, batch_fit_state=None): |
---|
877 | """ |
---|
878 | Writes the state of the fit panel to file, as XML. |
---|
879 | |
---|
880 | Compatible with standalone writing, or appending to an |
---|
881 | already existing XML document. In that case, the XML document is |
---|
882 | required. An optional entry node in the XML document may also be given. |
---|
883 | |
---|
884 | :param file: file to write to |
---|
885 | :param doc: XML document object [optional] |
---|
886 | :param entry_node: XML node within the XML document at which we |
---|
887 | will append the data [optional] |
---|
888 | :param batch_fit_state: simultaneous fit state |
---|
889 | """ |
---|
890 | # Check whether we have to write a standalone XML file |
---|
891 | if doc is None: |
---|
892 | impl = getDOMImplementation() |
---|
893 | doc_type = impl.createDocumentType(FITTING_NODE_NAME, "1.0", "1.0") |
---|
894 | newdoc = impl.createDocument(None, FITTING_NODE_NAME, doc_type) |
---|
895 | top_element = newdoc.documentElement |
---|
896 | else: |
---|
897 | # We are appending to an existing document |
---|
898 | newdoc = doc |
---|
899 | try: |
---|
900 | top_element = newdoc.createElement(FITTING_NODE_NAME) |
---|
901 | except Exception: |
---|
902 | string = etree.tostring(doc, pretty_print=True) |
---|
903 | newdoc = parseString(string) |
---|
904 | top_element = newdoc.createElement(FITTING_NODE_NAME) |
---|
905 | if entry_node is None: |
---|
906 | newdoc.documentElement.appendChild(top_element) |
---|
907 | else: |
---|
908 | try: |
---|
909 | entry_node.appendChild(top_element) |
---|
910 | except Exception: |
---|
911 | node_name = entry_node.tag |
---|
912 | node_list = newdoc.getElementsByTagName(node_name) |
---|
913 | entry_node = node_list.item(0) |
---|
914 | entry_node.appendChild(top_element) |
---|
915 | |
---|
916 | attr = newdoc.createAttribute("version") |
---|
917 | attr.nodeValue = SASVIEW_VERSION |
---|
918 | # attr.nodeValue = '1.0' |
---|
919 | top_element.setAttributeNode(attr) |
---|
920 | |
---|
921 | # File name |
---|
922 | element = newdoc.createElement("filename") |
---|
923 | if self.file is not None: |
---|
924 | element.appendChild(newdoc.createTextNode(str(self.file))) |
---|
925 | else: |
---|
926 | element.appendChild(newdoc.createTextNode(str(file))) |
---|
927 | top_element.appendChild(element) |
---|
928 | |
---|
929 | element = newdoc.createElement("timestamp") |
---|
930 | element.appendChild(newdoc.createTextNode(time.ctime(self.timestamp))) |
---|
931 | attr = newdoc.createAttribute("epoch") |
---|
932 | attr.nodeValue = str(self.timestamp) |
---|
933 | element.setAttributeNode(attr) |
---|
934 | top_element.appendChild(element) |
---|
935 | |
---|
936 | # Inputs |
---|
937 | inputs = newdoc.createElement("Attributes") |
---|
938 | top_element.appendChild(inputs) |
---|
939 | |
---|
940 | if self.data is not None and hasattr(self.data, "group_id"): |
---|
941 | self.data_group_id = self.data.group_id |
---|
942 | if self.data is not None and hasattr(self.data, "is_data"): |
---|
943 | self.is_data = self.data.is_data |
---|
944 | if self.data is not None: |
---|
945 | self.data_name = self.data.name |
---|
946 | if self.data is not None and hasattr(self.data, "id"): |
---|
947 | self.data_id = self.data.id |
---|
948 | |
---|
949 | for item in LIST_OF_DATA_ATTRIBUTES: |
---|
950 | element = newdoc.createElement(item[0]) |
---|
951 | element.setAttribute(item[0], str(getattr(self, item[1]))) |
---|
952 | inputs.appendChild(element) |
---|
953 | |
---|
954 | for item in LIST_OF_STATE_ATTRIBUTES: |
---|
955 | element = newdoc.createElement(item[0]) |
---|
956 | element.setAttribute(item[0], str(getattr(self, item[1]))) |
---|
957 | inputs.appendChild(element) |
---|
958 | |
---|
959 | # For self.values ={ disp_param_name: [vals,...],...} |
---|
960 | # and for self.weights ={ disp_param_name: [weights,...],...} |
---|
961 | for item in LIST_OF_MODEL_ATTRIBUTES: |
---|
962 | element = newdoc.createElement(item[0]) |
---|
963 | value_list = getattr(self, item[1]) |
---|
964 | for key, value in value_list.items(): |
---|
965 | sub_element = newdoc.createElement(key) |
---|
966 | sub_element.setAttribute('name', str(key)) |
---|
967 | for val in value: |
---|
968 | sub_element.appendChild(newdoc.createTextNode(str(val))) |
---|
969 | |
---|
970 | element.appendChild(sub_element) |
---|
971 | inputs.appendChild(element) |
---|
972 | |
---|
973 | # Create doc for the dictionary of self.disp_obj_dic |
---|
974 | for tagname, varname, tagtype in DISPERSION_LIST: |
---|
975 | element = newdoc.createElement(tagname) |
---|
976 | value_list = getattr(self, varname) |
---|
977 | for key, value in value_list.items(): |
---|
978 | sub_element = newdoc.createElement(key) |
---|
979 | sub_element.setAttribute('name', str(key)) |
---|
980 | sub_element.setAttribute('value', str(value)) |
---|
981 | element.appendChild(sub_element) |
---|
982 | inputs.appendChild(element) |
---|
983 | |
---|
984 | for item in LIST_OF_STATE_PARAMETERS: |
---|
985 | element = newdoc.createElement(item[0]) |
---|
986 | self._to_xml_helper(thelist=getattr(self, item[1]), |
---|
987 | element=element, newdoc=newdoc) |
---|
988 | inputs.appendChild(element) |
---|
989 | |
---|
990 | # Combined and Simultaneous Fit Parameters |
---|
991 | if batch_fit_state is not None: |
---|
992 | batch_combo = newdoc.createElement('simultaneous_fit') |
---|
993 | top_element.appendChild(batch_combo) |
---|
994 | |
---|
995 | # Simultaneous Fit Number For Linking Later |
---|
996 | element = newdoc.createElement('sim_fit_number') |
---|
997 | element.setAttribute('fit_number', str(batch_fit_state.fit_page_no)) |
---|
998 | batch_combo.appendChild(element) |
---|
999 | |
---|
1000 | # Save constraints |
---|
1001 | constraints = newdoc.createElement('constraints') |
---|
1002 | batch_combo.appendChild(constraints) |
---|
1003 | for constraint in batch_fit_state.constraints_list: |
---|
1004 | if constraint.model_cbox.GetValue() != "": |
---|
1005 | # model_cbox, param_cbox, egal_txt, constraint, |
---|
1006 | # btRemove, sizer |
---|
1007 | doc_cons = newdoc.createElement('constraint') |
---|
1008 | doc_cons.setAttribute('model_cbox', |
---|
1009 | str(constraint.model_cbox.GetValue())) |
---|
1010 | doc_cons.setAttribute('param_cbox', |
---|
1011 | str(constraint.param_cbox.GetValue())) |
---|
1012 | doc_cons.setAttribute('egal_txt', |
---|
1013 | str(constraint.egal_txt.GetLabel())) |
---|
1014 | doc_cons.setAttribute('constraint', |
---|
1015 | str(constraint.constraint.GetValue())) |
---|
1016 | constraints.appendChild(doc_cons) |
---|
1017 | |
---|
1018 | # Save all models |
---|
1019 | models = newdoc.createElement('model_list') |
---|
1020 | batch_combo.appendChild(models) |
---|
1021 | for model in batch_fit_state.model_list: |
---|
1022 | doc_model = newdoc.createElement('model_list_item') |
---|
1023 | doc_model.setAttribute('checked', str(model[0].GetValue())) |
---|
1024 | keys = model[1].keys() |
---|
1025 | doc_model.setAttribute('name', str(keys[0])) |
---|
1026 | values = model[1].get(keys[0]) |
---|
1027 | doc_model.setAttribute('fit_number', str(model[2])) |
---|
1028 | doc_model.setAttribute('fit_page_source', str(model[3])) |
---|
1029 | doc_model.setAttribute('model_name', str(values.model.id)) |
---|
1030 | models.appendChild(doc_model) |
---|
1031 | |
---|
1032 | # Select All Checkbox |
---|
1033 | element = newdoc.createElement('select_all') |
---|
1034 | if batch_fit_state.select_all: |
---|
1035 | element.setAttribute('checked', 'True') |
---|
1036 | else: |
---|
1037 | element.setAttribute('checked', 'False') |
---|
1038 | batch_combo.appendChild(element) |
---|
1039 | |
---|
1040 | # Save the file |
---|
1041 | if doc is None: |
---|
1042 | fd = open(file, 'w') |
---|
1043 | fd.write(newdoc.toprettyxml()) |
---|
1044 | fd.close() |
---|
1045 | return None |
---|
1046 | else: |
---|
1047 | return newdoc |
---|
1048 | |
---|
1049 | def _from_xml_helper(self, node, list): |
---|
1050 | """ |
---|
1051 | Helper function to write state to xml |
---|
1052 | """ |
---|
1053 | for item in node: |
---|
1054 | name = item.get('name') |
---|
1055 | value = item.get('value') |
---|
1056 | selected_to_fit = (item.get('selected_to_fit') == "True") |
---|
1057 | error_displayed = (item.get('error_displayed') == "True") |
---|
1058 | error_value = item.get('error_value') |
---|
1059 | minimum_displayed = (item.get('minimum_displayed') == "True") |
---|
1060 | minimum_value = item.get('minimum_value') |
---|
1061 | maximum_displayed = (item.get('maximum_displayed') == "True") |
---|
1062 | maximum_value = item.get('maximum_value') |
---|
1063 | unit = item.get('unit') |
---|
1064 | list.append([selected_to_fit, name, value, "+/-", |
---|
1065 | [error_displayed, error_value], |
---|
1066 | [minimum_displayed, minimum_value], |
---|
1067 | [maximum_displayed, maximum_value], unit]) |
---|
1068 | |
---|
1069 | def from_xml(self, file=None, node=None): |
---|
1070 | """ |
---|
1071 | Load fitting state from a file |
---|
1072 | |
---|
1073 | :param file: .fitv file |
---|
1074 | :param node: node of a XML document to read from |
---|
1075 | """ |
---|
1076 | if file is not None: |
---|
1077 | msg = "PageState no longer supports non-CanSAS" |
---|
1078 | msg += " format for fitting files" |
---|
1079 | raise RuntimeError(msg) |
---|
1080 | |
---|
1081 | if node.get('version'): |
---|
1082 | # Get the version for model conversion purposes |
---|
1083 | self.version = tuple(int(e) for e in |
---|
1084 | str.split(node.get('version'), ".")) |
---|
1085 | # The tuple must be at least 3 items long |
---|
1086 | while len(self.version) < 3: |
---|
1087 | ver_list = list(self.version) |
---|
1088 | ver_list.append(0) |
---|
1089 | self.version = tuple(ver_list) |
---|
1090 | |
---|
1091 | # Get file name |
---|
1092 | entry = get_content('ns:filename', node) |
---|
1093 | if entry is not None and entry.text: |
---|
1094 | self.file = entry.text.strip() |
---|
1095 | else: |
---|
1096 | self.file = '' |
---|
1097 | |
---|
1098 | # Get time stamp |
---|
1099 | entry = get_content('ns:timestamp', node) |
---|
1100 | if entry is not None and entry.get('epoch'): |
---|
1101 | try: |
---|
1102 | self.timestamp = float(entry.get('epoch')) |
---|
1103 | except Exception: |
---|
1104 | msg = "PageState.fromXML: Could not" |
---|
1105 | msg += " read timestamp\n %s" % sys.exc_value |
---|
1106 | logger.error(msg) |
---|
1107 | |
---|
1108 | if entry is not None: |
---|
1109 | # Parse fitting attributes |
---|
1110 | entry = get_content('ns:Attributes', node) |
---|
1111 | for item in LIST_OF_DATA_ATTRIBUTES: |
---|
1112 | node = get_content('ns:%s' % item[0], entry) |
---|
1113 | setattr(self, item[0], parse_entry_helper(node, item)) |
---|
1114 | |
---|
1115 | dx_old_node = get_content('ns:%s' % 'dx_min', entry) |
---|
1116 | for item in LIST_OF_STATE_ATTRIBUTES: |
---|
1117 | if item[0] == "dx_percent" and dx_old_node is not None: |
---|
1118 | dxmin = ["dx_min", "dx_min", "float"] |
---|
1119 | setattr(self, item[0], parse_entry_helper(dx_old_node, |
---|
1120 | dxmin)) |
---|
1121 | self.dx_old = True |
---|
1122 | else: |
---|
1123 | node = get_content('ns:%s' % item[0], entry) |
---|
1124 | setattr(self, item[0], parse_entry_helper(node, item)) |
---|
1125 | |
---|
1126 | for item in LIST_OF_STATE_PARAMETERS: |
---|
1127 | node = get_content("ns:%s" % item[0], entry) |
---|
1128 | self._from_xml_helper(node=node, |
---|
1129 | list=getattr(self, item[1])) |
---|
1130 | |
---|
1131 | # Recover disp_obj_dict from xml file |
---|
1132 | self.disp_obj_dict = {} |
---|
1133 | for tagname, varname, tagtype in DISPERSION_LIST: |
---|
1134 | node = get_content("ns:%s" % tagname, entry) |
---|
1135 | for attr in node: |
---|
1136 | parameter = str(attr.get('name')) |
---|
1137 | value = attr.get('value') |
---|
1138 | if value.startswith("<"): |
---|
1139 | try: |
---|
1140 | # <path.to.NamedDistribution object/instance...> |
---|
1141 | cls_name = value[1:].split()[0].split('.')[-1] |
---|
1142 | cls = getattr(sasmodels.weights, cls_name) |
---|
1143 | value = cls.type |
---|
1144 | except Exception: |
---|
1145 | base = "unable to load distribution %r for %s" |
---|
1146 | logger.error(base, value, parameter) |
---|
1147 | continue |
---|
1148 | disp_obj_dict = getattr(self, varname) |
---|
1149 | disp_obj_dict[parameter] = value |
---|
1150 | |
---|
1151 | # get self.values and self.weights dic. if exists |
---|
1152 | for tagname, varname in LIST_OF_MODEL_ATTRIBUTES: |
---|
1153 | node = get_content("ns:%s" % tagname, entry) |
---|
1154 | dic = {} |
---|
1155 | value_list = [] |
---|
1156 | for par in node: |
---|
1157 | name = par.get('name') |
---|
1158 | values = par.text.split() |
---|
1159 | # Get lines only with numbers |
---|
1160 | for line in values: |
---|
1161 | try: |
---|
1162 | val = float(line) |
---|
1163 | value_list.append(val) |
---|
1164 | except Exception: |
---|
1165 | # pass if line is empty (it happens) |
---|
1166 | msg = ("Error reading %r from %s %s\n" |
---|
1167 | % (line, tagname, name)) |
---|
1168 | logger.error(msg + traceback.format_exc()) |
---|
1169 | dic[name] = np.array(value_list) |
---|
1170 | setattr(self, varname, dic) |
---|
1171 | |
---|
1172 | class SimFitPageState(object): |
---|
1173 | """ |
---|
1174 | State of the simultaneous fit page for saving purposes |
---|
1175 | """ |
---|
1176 | |
---|
1177 | def __init__(self): |
---|
1178 | # Sim Fit Page Number |
---|
1179 | self.fit_page_no = None |
---|
1180 | # Select all data |
---|
1181 | self.select_all = False |
---|
1182 | # Data sets sent to fit page |
---|
1183 | self.model_list = [] |
---|
1184 | # Data sets to be fit |
---|
1185 | self.model_to_fit = [] |
---|
1186 | # Number of constraints |
---|
1187 | self.no_constraint = 0 |
---|
1188 | # Dictionary of constraints |
---|
1189 | self.constraint_dict = {} |
---|
1190 | # List of constraints |
---|
1191 | self.constraints_list = [] |
---|
1192 | |
---|
1193 | def __repr__(self): |
---|
1194 | # TODO: should use __str__, not __repr__ (similarly for PageState) |
---|
1195 | # TODO: could use a nicer representation |
---|
1196 | repr = """\ |
---|
1197 | fit page number : %(fit_page_no)s |
---|
1198 | select all : %(select_all)s |
---|
1199 | model_list : %(model_list)s |
---|
1200 | model to fit : %(model_to_fit)s |
---|
1201 | number of construsts : %(no_constraint)s |
---|
1202 | constraint dict : %(constraint_dict)s |
---|
1203 | constraints list : %(constraints_list)s |
---|
1204 | """%self.__dict__ |
---|
1205 | return repr |
---|
1206 | |
---|
1207 | class Reader(CansasReader): |
---|
1208 | """ |
---|
1209 | Class to load a .fitv fitting file |
---|
1210 | """ |
---|
1211 | # File type |
---|
1212 | type_name = "Fitting" |
---|
1213 | |
---|
1214 | # Wildcards |
---|
1215 | type = ["Fitting files (*.fitv)|*.fitv" |
---|
1216 | "SASView file (*.svs)|*.svs"] |
---|
1217 | # List of allowed extensions |
---|
1218 | ext = ['.fitv', '.FITV', '.svs', 'SVS'] |
---|
1219 | |
---|
1220 | def __init__(self, call_back=None, cansas=True): |
---|
1221 | CansasReader.__init__(self) |
---|
1222 | """ |
---|
1223 | Initialize the call-back method to be called |
---|
1224 | after we load a file |
---|
1225 | |
---|
1226 | :param call_back: call-back method |
---|
1227 | :param cansas: True = files will be written/read in CanSAS format |
---|
1228 | False = write CanSAS format |
---|
1229 | |
---|
1230 | """ |
---|
1231 | # Call back method to be executed after a file is read |
---|
1232 | self.call_back = call_back |
---|
1233 | # CanSAS format flag |
---|
1234 | self.cansas = cansas |
---|
1235 | self.state = None |
---|
1236 | # batch fitting params for saving |
---|
1237 | self.batchfit_params = [] |
---|
1238 | |
---|
1239 | def get_state(self): |
---|
1240 | return self.state |
---|
1241 | |
---|
1242 | def read(self, path): |
---|
1243 | """ |
---|
1244 | Load a new P(r) inversion state from file |
---|
1245 | |
---|
1246 | :param path: file path |
---|
1247 | |
---|
1248 | """ |
---|
1249 | if self.cansas: |
---|
1250 | return self._read_cansas(path) |
---|
1251 | |
---|
1252 | def _parse_state(self, entry): |
---|
1253 | """ |
---|
1254 | Read a fit result from an XML node |
---|
1255 | |
---|
1256 | :param entry: XML node to read from |
---|
1257 | :return: PageState object |
---|
1258 | """ |
---|
1259 | # Create an empty state |
---|
1260 | state = None |
---|
1261 | # Locate the P(r) node |
---|
1262 | try: |
---|
1263 | nodes = entry.xpath('ns:%s' % FITTING_NODE_NAME, |
---|
1264 | namespaces=CANSAS_NS) |
---|
1265 | if nodes: |
---|
1266 | # Create an empty state |
---|
1267 | state = PageState() |
---|
1268 | state.from_xml(node=nodes[0]) |
---|
1269 | |
---|
1270 | except Exception: |
---|
1271 | logger.info("XML document does not contain fitting information.\n" |
---|
1272 | + traceback.format_exc()) |
---|
1273 | |
---|
1274 | return state |
---|
1275 | |
---|
1276 | def _parse_simfit_state(self, entry): |
---|
1277 | """ |
---|
1278 | Parses the saved data for a simultaneous fit |
---|
1279 | :param entry: XML object to read from |
---|
1280 | :return: XML object for a simultaneous fit or None |
---|
1281 | """ |
---|
1282 | nodes = entry.xpath('ns:%s' % FITTING_NODE_NAME, |
---|
1283 | namespaces=CANSAS_NS) |
---|
1284 | if nodes: |
---|
1285 | simfitstate = nodes[0].xpath('ns:simultaneous_fit', |
---|
1286 | namespaces=CANSAS_NS) |
---|
1287 | if simfitstate: |
---|
1288 | sim_fit_state = SimFitPageState() |
---|
1289 | simfitstate_0 = simfitstate[0] |
---|
1290 | all = simfitstate_0.xpath('ns:select_all', |
---|
1291 | namespaces=CANSAS_NS) |
---|
1292 | atts = all[0].attrib |
---|
1293 | checked = atts.get('checked') |
---|
1294 | sim_fit_state.select_all = bool(checked) |
---|
1295 | model_list = simfitstate_0.xpath('ns:model_list', |
---|
1296 | namespaces=CANSAS_NS) |
---|
1297 | model_list_items = model_list[0].xpath('ns:model_list_item', |
---|
1298 | namespaces=CANSAS_NS) |
---|
1299 | for model in model_list_items: |
---|
1300 | attrs = model.attrib |
---|
1301 | sim_fit_state.model_list.append(attrs) |
---|
1302 | |
---|
1303 | constraints = simfitstate_0.xpath('ns:constraints', |
---|
1304 | namespaces=CANSAS_NS) |
---|
1305 | constraint_list = constraints[0].xpath('ns:constraint', |
---|
1306 | namespaces=CANSAS_NS) |
---|
1307 | for constraint in constraint_list: |
---|
1308 | attrs = constraint.attrib |
---|
1309 | sim_fit_state.constraints_list.append(attrs) |
---|
1310 | |
---|
1311 | return sim_fit_state |
---|
1312 | else: |
---|
1313 | return None |
---|
1314 | |
---|
1315 | def _parse_save_state_entry(self, dom): |
---|
1316 | """ |
---|
1317 | Parse a SASentry |
---|
1318 | |
---|
1319 | :param node: SASentry node |
---|
1320 | |
---|
1321 | :return: Data1D/Data2D object |
---|
1322 | |
---|
1323 | """ |
---|
1324 | node = dom.xpath('ns:data_class', namespaces=CANSAS_NS) |
---|
1325 | return_value, _ = self._parse_entry(dom) |
---|
1326 | return return_value, _ |
---|
1327 | |
---|
1328 | def _read_cansas(self, path): |
---|
1329 | """ |
---|
1330 | Load data and fitting information from a CanSAS XML file. |
---|
1331 | |
---|
1332 | :param path: file path |
---|
1333 | :return: Data1D object if a single SASentry was found, |
---|
1334 | or a list of Data1D objects if multiple entries were found, |
---|
1335 | or None of nothing was found |
---|
1336 | :raise RuntimeError: when the file can't be opened |
---|
1337 | :raise ValueError: when the length of the data vectors are inconsistent |
---|
1338 | """ |
---|
1339 | output = [] |
---|
1340 | simfitstate = None |
---|
1341 | basename = os.path.basename(path) |
---|
1342 | root, extension = os.path.splitext(basename) |
---|
1343 | ext = extension.lower() |
---|
1344 | try: |
---|
1345 | if os.path.isfile(path): |
---|
1346 | if ext in self.ext or ext == '.xml': |
---|
1347 | tree = etree.parse(path, parser=etree.ETCompatXMLParser()) |
---|
1348 | # Check the format version number |
---|
1349 | # Specifying the namespace will take care of the file |
---|
1350 | # format version |
---|
1351 | root = tree.getroot() |
---|
1352 | entry_list = root.xpath('ns:SASentry', |
---|
1353 | namespaces=CANSAS_NS) |
---|
1354 | for entry in entry_list: |
---|
1355 | fitstate = self._parse_state(entry) |
---|
1356 | # state could be None when .svs file is loaded |
---|
1357 | # in this case, skip appending to output |
---|
1358 | if fitstate is not None: |
---|
1359 | try: |
---|
1360 | sas_entry, _ = self._parse_save_state_entry( |
---|
1361 | entry) |
---|
1362 | except: |
---|
1363 | raise |
---|
1364 | sas_entry.meta_data['fitstate'] = fitstate |
---|
1365 | sas_entry.filename = fitstate.file |
---|
1366 | output.append(sas_entry) |
---|
1367 | |
---|
1368 | else: |
---|
1369 | self.call_back(format=ext) |
---|
1370 | raise RuntimeError("%s is not a file" % path) |
---|
1371 | |
---|
1372 | # Return output consistent with the loader's api |
---|
1373 | if len(output) == 0: |
---|
1374 | self.call_back(state=None, datainfo=None, format=ext) |
---|
1375 | return None |
---|
1376 | else: |
---|
1377 | for data in output: |
---|
1378 | # Call back to post the new state |
---|
1379 | state = data.meta_data['fitstate'] |
---|
1380 | t = time.localtime(state.timestamp) |
---|
1381 | time_str = time.strftime("%b %d %H:%M", t) |
---|
1382 | # Check that no time stamp is already appended |
---|
1383 | max_char = state.file.find("[") |
---|
1384 | if max_char < 0: |
---|
1385 | max_char = len(state.file) |
---|
1386 | original_fname = state.file[0:max_char] |
---|
1387 | state.file = original_fname + ' [' + time_str + ']' |
---|
1388 | |
---|
1389 | if state is not None and state.is_data is not None: |
---|
1390 | data.is_data = state.is_data |
---|
1391 | |
---|
1392 | data.filename = state.file |
---|
1393 | state.data = data |
---|
1394 | state.data.name = data.filename # state.data_name |
---|
1395 | state.data.id = state.data_id |
---|
1396 | if state.is_data is not None: |
---|
1397 | state.data.is_data = state.is_data |
---|
1398 | if data.run_name is not None and len(data.run_name) != 0: |
---|
1399 | if isinstance(data.run_name, dict): |
---|
1400 | # Note: key order in dict is not guaranteed, so sort |
---|
1401 | name = data.run_name.keys()[0] |
---|
1402 | else: |
---|
1403 | name = data.run_name |
---|
1404 | else: |
---|
1405 | name = original_fname |
---|
1406 | state.data.group_id = name |
---|
1407 | state.version = fitstate.version |
---|
1408 | # store state in fitting |
---|
1409 | self.call_back(state=state, datainfo=data, format=ext) |
---|
1410 | self.state = state |
---|
1411 | simfitstate = self._parse_simfit_state(entry) |
---|
1412 | if simfitstate is not None: |
---|
1413 | self.call_back(state=simfitstate) |
---|
1414 | |
---|
1415 | return output |
---|
1416 | except: |
---|
1417 | self.call_back(format=ext) |
---|
1418 | raise |
---|
1419 | |
---|
1420 | def write(self, filename, datainfo=None, fitstate=None): |
---|
1421 | """ |
---|
1422 | Write the content of a Data1D as a CanSAS XML file only for standalone |
---|
1423 | |
---|
1424 | :param filename: name of the file to write |
---|
1425 | :param datainfo: Data1D object |
---|
1426 | :param fitstate: PageState object |
---|
1427 | |
---|
1428 | """ |
---|
1429 | # Sanity check |
---|
1430 | if self.cansas: |
---|
1431 | # Add fitting information to the XML document |
---|
1432 | doc = self.write_toXML(datainfo, fitstate) |
---|
1433 | # Write the XML document |
---|
1434 | else: |
---|
1435 | doc = fitstate.to_xml(file=filename) |
---|
1436 | |
---|
1437 | # Save the document no matter the type |
---|
1438 | fd = open(filename, 'w') |
---|
1439 | fd.write(doc.toprettyxml()) |
---|
1440 | fd.close() |
---|
1441 | |
---|
1442 | def write_toXML(self, datainfo=None, state=None, batchfit=None): |
---|
1443 | """ |
---|
1444 | Write toXML, a helper for write(), |
---|
1445 | could be used by guimanager._on_save() |
---|
1446 | |
---|
1447 | : return: xml doc |
---|
1448 | """ |
---|
1449 | |
---|
1450 | self.batchfit_params = batchfit |
---|
1451 | if state.data is None or not state.data.is_data: |
---|
1452 | return None |
---|
1453 | # make sure title and data run are filled. |
---|
1454 | if state.data.title is None or state.data.title == '': |
---|
1455 | state.data.title = state.data.name |
---|
1456 | if state.data.run_name is None or state.data.run_name == {}: |
---|
1457 | state.data.run = [str(state.data.name)] |
---|
1458 | state.data.run_name[0] = state.data.name |
---|
1459 | |
---|
1460 | data = state.data |
---|
1461 | doc, sasentry = self._to_xml_doc(data) |
---|
1462 | |
---|
1463 | if state is not None: |
---|
1464 | doc = state.to_xml(doc=doc, file=data.filename, entry_node=sasentry, |
---|
1465 | batch_fit_state=self.batchfit_params) |
---|
1466 | |
---|
1467 | return doc |
---|
1468 | |
---|
1469 | # Simple html report template |
---|
1470 | HEADER = "<html>\n" |
---|
1471 | HEADER += "<head>\n" |
---|
1472 | HEADER += "<meta http-equiv=Content-Type content='text/html; " |
---|
1473 | HEADER += "charset=windows-1252'> \n" |
---|
1474 | HEADER += "<meta name=Generator >\n" |
---|
1475 | HEADER += "</head>\n" |
---|
1476 | HEADER += "<body lang=EN-US>\n" |
---|
1477 | HEADER += "<div class=WordSection1>\n" |
---|
1478 | HEADER += "<p class=MsoNormal><b><span ><center><font size='4' >" |
---|
1479 | HEADER += "%s</font></center></span></center></b></p>" |
---|
1480 | HEADER += "<p class=MsoNormal> </p>" |
---|
1481 | PARA = "<p class=MsoNormal><font size='4' > %s \n" |
---|
1482 | PARA += "</font></p>" |
---|
1483 | CENTRE = "<p class=MsoNormal><center><font size='4' > %s \n" |
---|
1484 | CENTRE += "</font></center></p>" |
---|
1485 | FEET_1 = \ |
---|
1486 | """ |
---|
1487 | <p class=MsoNormal> </p> |
---|
1488 | <br> |
---|
1489 | <p class=MsoNormal><b><span ><center> <font size='4' > Graph |
---|
1490 | </font></span></center></b></p> |
---|
1491 | <p class=MsoNormal> </p> |
---|
1492 | <center> |
---|
1493 | <br><font size='4' >Model Computation</font> |
---|
1494 | <br><font size='4' >Data: "%s"</font><br> |
---|
1495 | """ |
---|
1496 | FEET_2 = \ |
---|
1497 | """<img src="%s" ></img> |
---|
1498 | """ |
---|
1499 | FEET_3 = \ |
---|
1500 | """</center> |
---|
1501 | </div> |
---|
1502 | </body> |
---|
1503 | </html> |
---|
1504 | """ |
---|
1505 | ELINE = """<p class=MsoNormal> </p> |
---|
1506 | """ |
---|