[fde5bcd] | 1 | import copy |
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[1bc27f1] | 2 | |
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[4992ff2] | 3 | from PyQt5 import QtCore |
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| 4 | from PyQt5 import QtGui |
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[4d457df] | 5 | |
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[6fd4e36] | 6 | import numpy |
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| 7 | |
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[dc5ef15] | 8 | from sas.qtgui.Plotting.PlotterData import Data1D |
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| 9 | from sas.qtgui.Plotting.PlotterData import Data2D |
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[6fd4e36] | 10 | |
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[04f775d] | 11 | from sas.qtgui.Perspectives.Fitting.AssociatedComboBox import AssociatedComboBox |
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| 12 | |
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[f54ce30] | 13 | model_header_captions = ['Parameter', 'Value', 'Min', 'Max', 'Units'] |
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| 14 | |
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| 15 | model_header_tooltips = ['Select parameter for fitting', |
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[d0dfcb2] | 16 | 'Enter parameter value', |
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| 17 | 'Enter minimum value for parameter', |
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| 18 | 'Enter maximum value for parameter', |
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| 19 | 'Unit of the parameter'] |
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[f54ce30] | 20 | |
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| 21 | poly_header_captions = ['Parameter', 'PD[ratio]', 'Min', 'Max', 'Npts', 'Nsigs', |
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[d0dfcb2] | 22 | 'Function', 'Filename'] |
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[f54ce30] | 23 | |
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| 24 | poly_header_tooltips = ['Select parameter for fitting', |
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[d0dfcb2] | 25 | 'Enter polydispersity ratio (STD/mean). ' |
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| 26 | 'STD: standard deviation from the mean value', |
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| 27 | 'Enter minimum value for parameter', |
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| 28 | 'Enter maximum value for parameter', |
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| 29 | 'Enter number of points for parameter', |
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| 30 | 'Enter number of sigmas parameter', |
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| 31 | 'Select distribution function', |
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| 32 | 'Select filename with user-definable distribution'] |
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[f54ce30] | 33 | |
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| 34 | error_tooltip = 'Error value for fitted parameter' |
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| 35 | header_error_caption = 'Error' |
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| 36 | |
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[4d457df] | 37 | def replaceShellName(param_name, value): |
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| 38 | """ |
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| 39 | Updates parameter name from <param_name>[n_shell] to <param_name>value |
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| 40 | """ |
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| 41 | assert '[' in param_name |
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| 42 | return param_name[:param_name.index('[')]+str(value) |
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| 43 | |
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| 44 | def getIterParams(model): |
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| 45 | """ |
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| 46 | Returns a list of all multi-shell parameters in 'model' |
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| 47 | """ |
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[b3e8629] | 48 | return list([par for par in model.iq_parameters if "[" in par.name]) |
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[4d457df] | 49 | |
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| 50 | def getMultiplicity(model): |
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| 51 | """ |
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| 52 | Finds out if 'model' has multishell parameters. |
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| 53 | If so, returns the name of the counter parameter and the number of shells |
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| 54 | """ |
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| 55 | iter_params = getIterParams(model) |
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[a9b568c] | 56 | param_name = "" |
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| 57 | param_length = 0 |
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| 58 | if iter_params: |
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| 59 | param_length = iter_params[0].length |
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| 60 | param_name = iter_params[0].length_control |
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| 61 | if param_name is None and '[' in iter_params[0].name: |
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| 62 | param_name = iter_params[0].name[:iter_params[0].name.index('[')] |
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| 63 | return (param_name, param_length) |
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[4d457df] | 64 | |
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[04f775d] | 65 | def createFixedChoiceComboBox(param, item_row): |
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| 66 | """ |
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| 67 | Determines whether param is a fixed-choice parameter, modifies items in item_row appropriately and returns a combo |
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| 68 | box containing the fixed choices. Returns None if param is not fixed-choice. |
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| 69 | |
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| 70 | item_row is a list of QStandardItem objects for insertion into the parameter table. |
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| 71 | """ |
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| 72 | |
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| 73 | # Determine whether this is a fixed-choice parameter. There are lots of conditionals, simply because the |
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| 74 | # implementation is not yet concrete; there are several possible indicators that the parameter is fixed-choice. |
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| 75 | # TODO: (when the sasmodels implementation is concrete, clean this up) |
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| 76 | choices = None |
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[04ce9ac] | 77 | if isinstance(param.choices, (list, tuple)) and len(param.choices) > 0: |
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[04f775d] | 78 | # The choices property is concrete in sasmodels, probably will use this |
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| 79 | choices = param.choices |
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[04ce9ac] | 80 | elif isinstance(param.units, (list, tuple)): |
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| 81 | choices = [str(x) for x in param.units] |
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[04f775d] | 82 | |
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| 83 | cbox = None |
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| 84 | if choices is not None: |
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| 85 | # Use combo box for input, if it is fixed-choice |
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| 86 | cbox = AssociatedComboBox(item_row[1], idx_as_value=True) |
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| 87 | cbox.addItems(choices) |
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| 88 | item_row[2].setEditable(False) |
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| 89 | item_row[3].setEditable(False) |
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| 90 | |
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| 91 | return cbox |
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| 92 | |
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| 93 | def addParametersToModel(model, view, parameters, kernel_module, is2D): |
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[4d457df] | 94 | """ |
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| 95 | Update local ModelModel with sasmodel parameters |
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| 96 | """ |
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| 97 | multishell_parameters = getIterParams(parameters) |
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| 98 | multishell_param_name, _ = getMultiplicity(parameters) |
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[57be490] | 99 | |
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[b5cc06e] | 100 | if is2D: |
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| 101 | params = [p for p in parameters.kernel_parameters if p.type != 'magnetic'] |
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| 102 | else: |
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| 103 | params = parameters.iq_parameters |
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[04f775d] | 104 | |
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[1970780] | 105 | for param in params: |
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[4d457df] | 106 | # don't include shell parameters |
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| 107 | if param.name == multishell_param_name: |
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| 108 | continue |
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[04f775d] | 109 | |
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[4d457df] | 110 | # Modify parameter name from <param>[n] to <param>1 |
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| 111 | item_name = param.name |
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| 112 | if param in multishell_parameters: |
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[b1e36a3] | 113 | continue |
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[4d457df] | 114 | |
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| 115 | item1 = QtGui.QStandardItem(item_name) |
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| 116 | item1.setCheckable(True) |
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[2add354] | 117 | item1.setEditable(False) |
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[04f775d] | 118 | |
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[4d457df] | 119 | # check for polydisp params |
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| 120 | if param.polydisperse: |
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| 121 | poly_item = QtGui.QStandardItem("Polydispersity") |
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[2add354] | 122 | poly_item.setEditable(False) |
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[4d457df] | 123 | item1_1 = QtGui.QStandardItem("Distribution") |
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[2add354] | 124 | item1_1.setEditable(False) |
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[04f775d] | 125 | |
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[4d457df] | 126 | # Find param in volume_params |
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| 127 | for p in parameters.form_volume_parameters: |
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| 128 | if p.name != param.name: |
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| 129 | continue |
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[aca8418] | 130 | width = kernel_module.getParam(p.name+'.width') |
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[8e2cd79] | 131 | ptype = kernel_module.getParam(p.name+'.type') |
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[aca8418] | 132 | item1_2 = QtGui.QStandardItem(str(width)) |
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[2add354] | 133 | item1_2.setEditable(False) |
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[aca8418] | 134 | item1_3 = QtGui.QStandardItem() |
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[2add354] | 135 | item1_3.setEditable(False) |
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[aca8418] | 136 | item1_4 = QtGui.QStandardItem() |
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[2add354] | 137 | item1_4.setEditable(False) |
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[8e2cd79] | 138 | item1_5 = QtGui.QStandardItem(ptype) |
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[2add354] | 139 | item1_5.setEditable(False) |
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[4d457df] | 140 | poly_item.appendRow([item1_1, item1_2, item1_3, item1_4, item1_5]) |
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| 141 | break |
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[04f775d] | 142 | |
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[4d457df] | 143 | # Add the polydisp item as a child |
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| 144 | item1.appendRow([poly_item]) |
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[04f775d] | 145 | |
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[4d457df] | 146 | # Param values |
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| 147 | item2 = QtGui.QStandardItem(str(param.default)) |
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| 148 | item3 = QtGui.QStandardItem(str(param.limits[0])) |
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| 149 | item4 = QtGui.QStandardItem(str(param.limits[1])) |
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[04f775d] | 150 | item5 = QtGui.QStandardItem(str(param.units)) |
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[2add354] | 151 | item5.setEditable(False) |
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[4d457df] | 152 | |
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[04f775d] | 153 | # Check if fixed-choice (returns combobox, if so, also makes some items uneditable) |
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| 154 | row = [item1, item2, item3, item4, item5] |
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| 155 | cbox = createFixedChoiceComboBox(param, row) |
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| 156 | |
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| 157 | # Append to the model and use the combobox, if required |
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| 158 | model.appendRow(row) |
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| 159 | if cbox is not None: |
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| 160 | view.setIndexWidget(item2.index(), cbox) |
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| 161 | |
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| 162 | def addSimpleParametersToModel(model, view, parameters, is2D): |
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[4d457df] | 163 | """ |
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[04f775d] | 164 | Update local ModelModel with sasmodel parameters (non-dispersed, non-magnetic) |
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[4d457df] | 165 | """ |
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[b5cc06e] | 166 | if is2D: |
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| 167 | params = [p for p in parameters.kernel_parameters if p.type != 'magnetic'] |
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| 168 | else: |
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| 169 | params = parameters.iq_parameters |
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[04f775d] | 170 | |
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[1970780] | 171 | for param in params: |
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[7248d75d] | 172 | # Create the top level, checkable item |
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[4d457df] | 173 | item_name = param.name |
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| 174 | item1 = QtGui.QStandardItem(item_name) |
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| 175 | item1.setCheckable(True) |
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[2add354] | 176 | item1.setEditable(False) |
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[04f775d] | 177 | |
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[4d457df] | 178 | # Param values |
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[2add354] | 179 | # TODO: add delegate for validation of cells |
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[4d457df] | 180 | item2 = QtGui.QStandardItem(str(param.default)) |
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[04f775d] | 181 | item3 = QtGui.QStandardItem(str(param.limits[0])) |
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| 182 | item4 = QtGui.QStandardItem(str(param.limits[1])) |
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| 183 | item5 = QtGui.QStandardItem(str(param.units)) |
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| 184 | item5.setEditable(False) |
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| 185 | |
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| 186 | # Check if fixed-choice (returns combobox, if so, also makes some items uneditable) |
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| 187 | row = [item1, item2, item3, item4, item5] |
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| 188 | cbox = createFixedChoiceComboBox(param, row) |
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| 189 | |
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| 190 | # Append to the model and use the combobox, if required |
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| 191 | model.appendRow(row) |
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| 192 | if cbox is not None: |
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| 193 | view.setIndexWidget(item2.index(), cbox) |
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[4d457df] | 194 | |
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[18d5c94a] | 195 | def markParameterDisabled(model, row): |
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[b87dc1a] | 196 | """Given the QModel row number, format to show it is not available for fitting""" |
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| 197 | |
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| 198 | # If an error column is present, there are a total of 6 columns. |
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| 199 | items = [model.item(row, c) for c in range(6)] |
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[18d5c94a] | 200 | |
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| 201 | model.blockSignals(True) |
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| 202 | |
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| 203 | for item in items: |
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| 204 | if item is None: |
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| 205 | continue |
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| 206 | item.setEditable(False) |
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| 207 | item.setCheckable(False) |
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| 208 | |
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| 209 | item = items[0] |
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| 210 | |
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| 211 | font = QtGui.QFont() |
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| 212 | font.setItalic(True) |
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| 213 | item.setFont(font) |
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| 214 | item.setForeground(QtGui.QBrush(QtGui.QColor(100, 100, 100))) |
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| 215 | item.setToolTip("This parameter cannot be fitted.") |
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| 216 | |
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| 217 | model.blockSignals(False) |
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| 218 | |
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[4d457df] | 219 | def addCheckedListToModel(model, param_list): |
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| 220 | """ |
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| 221 | Add a QItem to model. Makes the QItem checkable |
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| 222 | """ |
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| 223 | assert isinstance(model, QtGui.QStandardItemModel) |
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| 224 | item_list = [QtGui.QStandardItem(item) for item in param_list] |
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| 225 | item_list[0].setCheckable(True) |
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| 226 | model.appendRow(item_list) |
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| 227 | |
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| 228 | def addHeadersToModel(model): |
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| 229 | """ |
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| 230 | Adds predefined headers to the model |
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| 231 | """ |
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[f54ce30] | 232 | for i, item in enumerate(model_header_captions): |
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[b3e8629] | 233 | model.setHeaderData(i, QtCore.Qt.Horizontal, item) |
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[f54ce30] | 234 | |
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[fde5bcd] | 235 | model.header_tooltips = copy.copy(model_header_tooltips) |
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[4d457df] | 236 | |
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[f182f93] | 237 | def addErrorHeadersToModel(model): |
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| 238 | """ |
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| 239 | Adds predefined headers to the model |
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| 240 | """ |
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[fde5bcd] | 241 | model_header_error_captions = copy.copy(model_header_captions) |
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[f54ce30] | 242 | model_header_error_captions.insert(2, header_error_caption) |
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| 243 | for i, item in enumerate(model_header_error_captions): |
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[b3e8629] | 244 | model.setHeaderData(i, QtCore.Qt.Horizontal, item) |
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[f182f93] | 245 | |
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[fde5bcd] | 246 | model_header_error_tooltips = copy.copy(model_header_tooltips) |
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[f54ce30] | 247 | model_header_error_tooltips.insert(2, error_tooltip) |
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[fde5bcd] | 248 | model.header_tooltips = copy.copy(model_header_error_tooltips) |
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[a95c44b] | 249 | |
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[4d457df] | 250 | def addPolyHeadersToModel(model): |
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| 251 | """ |
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| 252 | Adds predefined headers to the model |
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| 253 | """ |
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[f54ce30] | 254 | for i, item in enumerate(poly_header_captions): |
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[b3e8629] | 255 | model.setHeaderData(i, QtCore.Qt.Horizontal, item) |
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[f54ce30] | 256 | |
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[fde5bcd] | 257 | model.header_tooltips = copy.copy(poly_header_tooltips) |
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[4d457df] | 258 | |
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[a95c44b] | 259 | |
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[aca8418] | 260 | def addErrorPolyHeadersToModel(model): |
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| 261 | """ |
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| 262 | Adds predefined headers to the model |
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| 263 | """ |
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[fde5bcd] | 264 | poly_header_error_captions = copy.copy(poly_header_captions) |
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[f54ce30] | 265 | poly_header_error_captions.insert(2, header_error_caption) |
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| 266 | for i, item in enumerate(poly_header_error_captions): |
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[b3e8629] | 267 | model.setHeaderData(i, QtCore.Qt.Horizontal, item) |
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[f54ce30] | 268 | |
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[fde5bcd] | 269 | poly_header_error_tooltips = copy.copy(poly_header_tooltips) |
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[f54ce30] | 270 | poly_header_error_tooltips.insert(2, error_tooltip) |
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[fde5bcd] | 271 | model.header_tooltips = copy.copy(poly_header_error_tooltips) |
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[a95c44b] | 272 | |
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[88ada06] | 273 | def addShellsToModel(parameters, model, view, index): |
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[4d457df] | 274 | """ |
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| 275 | Find out multishell parameters and update the model with the requested number of them |
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| 276 | """ |
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| 277 | multishell_parameters = getIterParams(parameters) |
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| 278 | |
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[b3e8629] | 279 | for i in range(index): |
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[4d457df] | 280 | for par in multishell_parameters: |
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[b1e36a3] | 281 | # Create the name: <param>[<i>], e.g. "sld1" for parameter "sld[n]" |
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| 282 | param_name = replaceShellName(par.name, i+1) |
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[4d457df] | 283 | item1 = QtGui.QStandardItem(param_name) |
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| 284 | item1.setCheckable(True) |
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| 285 | # check for polydisp params |
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| 286 | if par.polydisperse: |
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| 287 | poly_item = QtGui.QStandardItem("Polydispersity") |
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| 288 | item1_1 = QtGui.QStandardItem("Distribution") |
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| 289 | # Find param in volume_params |
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| 290 | for p in parameters.form_volume_parameters: |
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| 291 | if p.name != par.name: |
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| 292 | continue |
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| 293 | item1_2 = QtGui.QStandardItem(str(p.default)) |
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| 294 | item1_3 = QtGui.QStandardItem(str(p.limits[0])) |
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| 295 | item1_4 = QtGui.QStandardItem(str(p.limits[1])) |
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[88ada06] | 296 | item1_5 = QtGui.QStandardItem(str(p.units)) |
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[4d457df] | 297 | poly_item.appendRow([item1_1, item1_2, item1_3, item1_4, item1_5]) |
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| 298 | break |
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| 299 | item1.appendRow([poly_item]) |
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| 300 | |
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| 301 | item2 = QtGui.QStandardItem(str(par.default)) |
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| 302 | item3 = QtGui.QStandardItem(str(par.limits[0])) |
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| 303 | item4 = QtGui.QStandardItem(str(par.limits[1])) |
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[88ada06] | 304 | item5 = QtGui.QStandardItem(str(par.units)) |
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| 305 | item5.setEditable(False) |
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| 306 | |
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| 307 | # Check if fixed-choice (returns combobox, if so, also makes some items uneditable) |
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| 308 | row = [item1, item2, item3, item4, item5] |
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| 309 | cbox = createFixedChoiceComboBox(par, row) |
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| 310 | |
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| 311 | # Append to the model and use the combobox, if required |
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| 312 | model.appendRow(row) |
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| 313 | if cbox is not None: |
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| 314 | view.setIndexWidget(item2.index(), cbox) |
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[4d457df] | 315 | |
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[6fd4e36] | 316 | def calculateChi2(reference_data, current_data): |
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| 317 | """ |
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| 318 | Calculate Chi2 value between two sets of data |
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| 319 | """ |
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[ff3b293] | 320 | if reference_data is None or current_data is None: |
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| 321 | return None |
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[6fd4e36] | 322 | # WEIGHING INPUT |
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| 323 | #from sas.sasgui.perspectives.fitting.utils import get_weight |
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| 324 | #flag = self.get_weight_flag() |
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| 325 | #weight = get_weight(data=self.data, is2d=self._is_2D(), flag=flag) |
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[1bc27f1] | 326 | chisqr = None |
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| 327 | if reference_data is None: |
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| 328 | return chisqr |
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[6fd4e36] | 329 | |
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| 330 | # temporary default values for index and weight |
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| 331 | index = None |
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| 332 | weight = None |
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| 333 | |
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| 334 | # Get data: data I, theory I, and data dI in order |
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| 335 | if isinstance(reference_data, Data2D): |
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[1bc27f1] | 336 | if index is None: |
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[6fd4e36] | 337 | index = numpy.ones(len(current_data.data), dtype=bool) |
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[1bc27f1] | 338 | if weight is not None: |
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[6fd4e36] | 339 | current_data.err_data = weight |
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| 340 | # get rid of zero error points |
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| 341 | index = index & (current_data.err_data != 0) |
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| 342 | index = index & (numpy.isfinite(current_data.data)) |
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| 343 | fn = current_data.data[index] |
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| 344 | gn = reference_data.data[index] |
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| 345 | en = current_data.err_data[index] |
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| 346 | else: |
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| 347 | # 1 d theory from model_thread is only in the range of index |
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[1bc27f1] | 348 | if index is None: |
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[6fd4e36] | 349 | index = numpy.ones(len(current_data.y), dtype=bool) |
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[1bc27f1] | 350 | if weight is not None: |
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[6fd4e36] | 351 | current_data.dy = weight |
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[1bc27f1] | 352 | if current_data.dy is None or current_data.dy == []: |
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[6fd4e36] | 353 | dy = numpy.ones(len(current_data.y)) |
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| 354 | else: |
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| 355 | ## Set consistently w/AbstractFitengine: |
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| 356 | # But this should be corrected later. |
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[fde5bcd] | 357 | dy = copy.deepcopy(current_data.dy) |
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[6fd4e36] | 358 | dy[dy == 0] = 1 |
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| 359 | fn = current_data.y[index] |
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| 360 | gn = reference_data.y |
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| 361 | en = dy[index] |
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| 362 | # Calculate the residual |
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| 363 | try: |
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| 364 | res = (fn - gn) / en |
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| 365 | except ValueError: |
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[180bd54] | 366 | #print "Chi2 calculations: Unmatched lengths %s, %s, %s" % (len(fn), len(gn), len(en)) |
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[0268aed] | 367 | return None |
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[6fd4e36] | 368 | |
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| 369 | residuals = res[numpy.isfinite(res)] |
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| 370 | chisqr = numpy.average(residuals * residuals) |
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| 371 | |
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| 372 | return chisqr |
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| 373 | |
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[0268aed] | 374 | def residualsData1D(reference_data, current_data): |
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| 375 | """ |
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[7d077d1] | 376 | Calculate the residuals for difference of two Data1D sets |
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[0268aed] | 377 | """ |
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| 378 | # temporary default values for index and weight |
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| 379 | index = None |
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| 380 | weight = None |
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| 381 | |
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| 382 | # 1d theory from model_thread is only in the range of index |
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[180bd54] | 383 | if current_data.dy is None or current_data.dy == []: |
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[0268aed] | 384 | dy = numpy.ones(len(current_data.y)) |
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| 385 | else: |
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[180bd54] | 386 | dy = weight if weight is not None else numpy.ones(len(current_data.y)) |
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[0268aed] | 387 | dy[dy == 0] = 1 |
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| 388 | fn = current_data.y[index][0] |
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| 389 | gn = reference_data.y |
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| 390 | en = dy[index][0] |
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[f7d39c9] | 391 | |
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| 392 | # x values |
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| 393 | x_current = current_data.x |
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| 394 | x_reference = reference_data.x |
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| 395 | |
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[0268aed] | 396 | # build residuals |
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| 397 | residuals = Data1D() |
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[180bd54] | 398 | if len(fn) == len(gn): |
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[0268aed] | 399 | y = (fn - gn)/en |
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| 400 | residuals.y = -y |
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[f7d39c9] | 401 | elif len(fn) > len(gn): |
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| 402 | residuals.y = (fn - gn[1:len(fn)])/en |
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[180bd54] | 403 | else: |
---|
[689222c] | 404 | try: |
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[f7d39c9] | 405 | y = numpy.zeros(len(current_data.y)) |
---|
| 406 | begin = 0 |
---|
| 407 | for i, x_value in enumerate(x_reference): |
---|
| 408 | if x_value in x_current: |
---|
| 409 | begin = i |
---|
| 410 | break |
---|
| 411 | end = len(x_reference) |
---|
| 412 | endl = 0 |
---|
| 413 | for i, x_value in enumerate(list(x_reference)[::-1]): |
---|
| 414 | if x_value in x_current: |
---|
| 415 | endl = i |
---|
| 416 | break |
---|
| 417 | # make sure we have correct lengths |
---|
| 418 | assert len(x_current) == len(x_reference[begin:end-endl]) |
---|
| 419 | |
---|
| 420 | y = (fn - gn[begin:end-endl])/en |
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[689222c] | 421 | residuals.y = y |
---|
| 422 | except ValueError: |
---|
| 423 | # value errors may show up every once in a while for malformed columns, |
---|
| 424 | # just reuse what's there already |
---|
| 425 | pass |
---|
[180bd54] | 426 | |
---|
[0268aed] | 427 | residuals.x = current_data.x[index][0] |
---|
[f6c19cf] | 428 | residuals.dy = numpy.ones(len(residuals.y)) |
---|
[0268aed] | 429 | residuals.dx = None |
---|
| 430 | residuals.dxl = None |
---|
| 431 | residuals.dxw = None |
---|
| 432 | residuals.ytransform = 'y' |
---|
[1bc27f1] | 433 | # For latter scale changes |
---|
[0268aed] | 434 | residuals.xaxis('\\rm{Q} ', 'A^{-1}') |
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| 435 | residuals.yaxis('\\rm{Residuals} ', 'normalized') |
---|
| 436 | |
---|
| 437 | return residuals |
---|
| 438 | |
---|
| 439 | def residualsData2D(reference_data, current_data): |
---|
| 440 | """ |
---|
[7d077d1] | 441 | Calculate the residuals for difference of two Data2D sets |
---|
[0268aed] | 442 | """ |
---|
| 443 | # temporary default values for index and weight |
---|
[1bc27f1] | 444 | # index = None |
---|
[0268aed] | 445 | weight = None |
---|
| 446 | |
---|
| 447 | # build residuals |
---|
| 448 | residuals = Data2D() |
---|
| 449 | # Not for trunk the line below, instead use the line above |
---|
| 450 | current_data.clone_without_data(len(current_data.data), residuals) |
---|
| 451 | residuals.data = None |
---|
| 452 | fn = current_data.data |
---|
| 453 | gn = reference_data.data |
---|
[180bd54] | 454 | en = current_data.err_data if weight is None else weight |
---|
[0268aed] | 455 | residuals.data = (fn - gn) / en |
---|
| 456 | residuals.qx_data = current_data.qx_data |
---|
| 457 | residuals.qy_data = current_data.qy_data |
---|
| 458 | residuals.q_data = current_data.q_data |
---|
| 459 | residuals.err_data = numpy.ones(len(residuals.data)) |
---|
| 460 | residuals.xmin = min(residuals.qx_data) |
---|
| 461 | residuals.xmax = max(residuals.qx_data) |
---|
| 462 | residuals.ymin = min(residuals.qy_data) |
---|
| 463 | residuals.ymax = max(residuals.qy_data) |
---|
| 464 | residuals.q_data = current_data.q_data |
---|
| 465 | residuals.mask = current_data.mask |
---|
| 466 | residuals.scale = 'linear' |
---|
| 467 | # check the lengths |
---|
| 468 | if len(residuals.data) != len(residuals.q_data): |
---|
| 469 | return None |
---|
| 470 | return residuals |
---|
| 471 | |
---|
| 472 | def plotResiduals(reference_data, current_data): |
---|
| 473 | """ |
---|
| 474 | Create Data1D/Data2D with residuals, ready for plotting |
---|
| 475 | """ |
---|
[fde5bcd] | 476 | data_copy = copy.deepcopy(current_data) |
---|
[0268aed] | 477 | # Get data: data I, theory I, and data dI in order |
---|
| 478 | method_name = current_data.__class__.__name__ |
---|
| 479 | residuals_dict = {"Data1D": residualsData1D, |
---|
| 480 | "Data2D": residualsData2D} |
---|
| 481 | |
---|
| 482 | residuals = residuals_dict[method_name](reference_data, data_copy) |
---|
| 483 | |
---|
| 484 | theory_name = str(current_data.name.split()[0]) |
---|
[6b50296] | 485 | res_name = reference_data.filename if reference_data.filename else reference_data.name |
---|
| 486 | residuals.name = "Residuals for " + str(theory_name) + "[" + res_name + "]" |
---|
[0268aed] | 487 | residuals.title = residuals.name |
---|
[f182f93] | 488 | residuals.ytransform = 'y' |
---|
| 489 | |
---|
[0268aed] | 490 | # when 2 data have the same id override the 1 st plotted |
---|
| 491 | # include the last part if keeping charts for separate models is required |
---|
| 492 | residuals.id = "res" + str(reference_data.id) # + str(theory_name) |
---|
| 493 | # group_id specify on which panel to plot this data |
---|
| 494 | group_id = reference_data.group_id |
---|
| 495 | residuals.group_id = "res" + str(group_id) |
---|
[1bc27f1] | 496 | |
---|
[0268aed] | 497 | # Symbol |
---|
| 498 | residuals.symbol = 0 |
---|
| 499 | residuals.hide_error = False |
---|
| 500 | |
---|
| 501 | return residuals |
---|
| 502 | |
---|
[6fd4e36] | 503 | def binary_encode(i, digits): |
---|
[b3e8629] | 504 | return [i >> d & 1 for d in range(digits)] |
---|
[6fd4e36] | 505 | |
---|
[fd1ae6d1] | 506 | def getWeight(data, is2d, flag=None): |
---|
| 507 | """ |
---|
| 508 | Received flag and compute error on data. |
---|
| 509 | :param flag: flag to transform error of data. |
---|
| 510 | """ |
---|
| 511 | weight = None |
---|
[b764ae5] | 512 | if data is None: |
---|
| 513 | return [] |
---|
[fd1ae6d1] | 514 | if is2d: |
---|
[b764ae5] | 515 | if not hasattr(data, 'err_data'): |
---|
| 516 | return [] |
---|
[fd1ae6d1] | 517 | dy_data = data.err_data |
---|
| 518 | data = data.data |
---|
| 519 | else: |
---|
[b764ae5] | 520 | if not hasattr(data, 'dy'): |
---|
| 521 | return [] |
---|
[fd1ae6d1] | 522 | dy_data = data.dy |
---|
| 523 | data = data.y |
---|
| 524 | |
---|
| 525 | if flag == 0: |
---|
| 526 | weight = numpy.ones_like(data) |
---|
| 527 | elif flag == 1: |
---|
| 528 | weight = dy_data |
---|
| 529 | elif flag == 2: |
---|
| 530 | weight = numpy.sqrt(numpy.abs(data)) |
---|
| 531 | elif flag == 3: |
---|
| 532 | weight = numpy.abs(data) |
---|
| 533 | return weight |
---|
[d4dac80] | 534 | |
---|
| 535 | def updateKernelWithResults(kernel, results): |
---|
| 536 | """ |
---|
| 537 | Takes model kernel and applies results dict to its parameters, |
---|
| 538 | returning the modified (deep) copy of the kernel. |
---|
| 539 | """ |
---|
[8e2cd79] | 540 | assert isinstance(results, dict) |
---|
[d4dac80] | 541 | local_kernel = copy.deepcopy(kernel) |
---|
| 542 | |
---|
| 543 | for parameter in results.keys(): |
---|
| 544 | # Update the parameter value - note: this supports +/-inf as well |
---|
| 545 | local_kernel.setParam(parameter, results[parameter][0]) |
---|
| 546 | |
---|
| 547 | return local_kernel |
---|
| 548 | |
---|
| 549 | |
---|
[57be490] | 550 | def getStandardParam(model=None): |
---|
| 551 | """ |
---|
| 552 | Returns a list with standard parameters for the current model |
---|
| 553 | """ |
---|
| 554 | param = [] |
---|
| 555 | num_rows = model.rowCount() |
---|
| 556 | if num_rows < 1: |
---|
| 557 | return None |
---|
| 558 | |
---|
| 559 | for row in range(num_rows): |
---|
| 560 | param_name = model.item(row, 0).text() |
---|
[8e2cd79] | 561 | checkbox_state = model.item(row, 0).checkState() == QtCore.Qt.Checked |
---|
| 562 | value = model.item(row, 1).text() |
---|
[57be490] | 563 | column_shift = 0 |
---|
| 564 | if model.columnCount() == 5: # no error column |
---|
| 565 | error_state = False |
---|
| 566 | error_value = 0.0 |
---|
| 567 | else: |
---|
| 568 | error_state = True |
---|
| 569 | error_value = model.item(row, 2).text() |
---|
| 570 | column_shift = 1 |
---|
| 571 | min_state = True |
---|
| 572 | max_state = True |
---|
| 573 | min_value = model.item(row, 2+column_shift).text() |
---|
| 574 | max_value = model.item(row, 3+column_shift).text() |
---|
| 575 | unit = "" |
---|
| 576 | if model.item(row, 4+column_shift) is not None: |
---|
| 577 | unit = model.item(row, 4+column_shift).text() |
---|
| 578 | |
---|
| 579 | param.append([checkbox_state, param_name, value, "", |
---|
| 580 | [error_state, error_value], |
---|
| 581 | [min_state, min_value], |
---|
| 582 | [max_state, max_value], unit]) |
---|
| 583 | |
---|
| 584 | return param |
---|
| 585 | |
---|
| 586 | def getOrientationParam(kernel_module=None): |
---|
| 587 | """ |
---|
| 588 | Get the dictionary with orientation parameters |
---|
| 589 | """ |
---|
| 590 | param = [] |
---|
[8e2cd79] | 591 | if kernel_module is None: |
---|
[57be490] | 592 | return None |
---|
| 593 | for param_name in list(kernel_module.params.keys()): |
---|
| 594 | name = param_name |
---|
| 595 | value = kernel_module.params[param_name] |
---|
| 596 | min_state = True |
---|
| 597 | max_state = True |
---|
| 598 | error_state = False |
---|
| 599 | error_value = 0.0 |
---|
| 600 | checkbox_state = True #?? |
---|
| 601 | details = kernel_module.details[param_name] #[unit, mix, max] |
---|
| 602 | param.append([checkbox_state, name, value, "", |
---|
| 603 | [error_state, error_value], |
---|
| 604 | [min_state, details[1]], |
---|
| 605 | [max_state, details[2]], details[0]]) |
---|
| 606 | |
---|
| 607 | return param |
---|
[8e2cd79] | 608 | |
---|
| 609 | def formatParameters(parameters): |
---|
| 610 | """ |
---|
| 611 | Prepare the parameter string in the standard SasView layout |
---|
| 612 | """ |
---|
| 613 | assert parameters is not None |
---|
| 614 | assert isinstance(parameters, list) |
---|
| 615 | output_string = "sasview_parameter_values:" |
---|
| 616 | for parameter in parameters: |
---|
| 617 | output_string += ",".join([p for p in parameter if p is not None]) |
---|
| 618 | output_string += ":" |
---|
| 619 | return output_string |
---|
| 620 | |
---|
| 621 | def formatParametersExcel(parameters): |
---|
| 622 | """ |
---|
| 623 | Prepare the parameter string in the Excel format (tab delimited) |
---|
| 624 | """ |
---|
| 625 | assert parameters is not None |
---|
| 626 | assert isinstance(parameters, list) |
---|
| 627 | crlf = chr(13) + chr(10) |
---|
| 628 | tab = chr(9) |
---|
| 629 | |
---|
| 630 | output_string = "" |
---|
| 631 | # names |
---|
| 632 | names = "" |
---|
| 633 | values = "" |
---|
| 634 | for parameter in parameters: |
---|
| 635 | names += parameter[0]+tab |
---|
| 636 | # Add the error column if fitted |
---|
| 637 | if parameter[1] == "True" and parameter[3] is not None: |
---|
| 638 | names += parameter[0]+"_err"+tab |
---|
| 639 | |
---|
| 640 | values += parameter[2]+tab |
---|
| 641 | if parameter[1] == "True" and parameter[3] is not None: |
---|
| 642 | values += parameter[3]+tab |
---|
| 643 | # add .npts and .nsigmas when necessary |
---|
| 644 | if parameter[0][-6:] == ".width": |
---|
| 645 | names += parameter[0].replace('.width', '.nsigmas') + tab |
---|
| 646 | names += parameter[0].replace('.width', '.npts') + tab |
---|
| 647 | values += parameter[5] + tab + parameter[4] + tab |
---|
| 648 | |
---|
| 649 | output_string = names + crlf + values |
---|
| 650 | return output_string |
---|
| 651 | |
---|
| 652 | def formatParametersLatex(parameters): |
---|
| 653 | """ |
---|
| 654 | Prepare the parameter string in latex |
---|
| 655 | """ |
---|
| 656 | assert parameters is not None |
---|
| 657 | assert isinstance(parameters, list) |
---|
| 658 | output_string = r'\begin{table}' |
---|
| 659 | output_string += r'\begin{tabular}[h]' |
---|
| 660 | |
---|
| 661 | crlf = chr(13) + chr(10) |
---|
| 662 | output_string += '{|' |
---|
| 663 | output_string += 'l|l|'*len(parameters) |
---|
| 664 | output_string += r'}\hline' |
---|
| 665 | output_string += crlf |
---|
| 666 | |
---|
| 667 | for index, parameter in enumerate(parameters): |
---|
| 668 | name = parameter[0] # Parameter name |
---|
| 669 | output_string += name.replace('_', r'\_') # Escape underscores |
---|
| 670 | # Add the error column if fitted |
---|
| 671 | if parameter[1] == "True" and parameter[3] is not None: |
---|
| 672 | output_string += ' & ' |
---|
| 673 | output_string += parameter[0]+r'\_err' |
---|
| 674 | |
---|
| 675 | if index < len(parameters) - 1: |
---|
| 676 | output_string += ' & ' |
---|
| 677 | |
---|
| 678 | # add .npts and .nsigmas when necessary |
---|
| 679 | if parameter[0][-6:] == ".width": |
---|
| 680 | output_string += parameter[0].replace('.width', '.nsigmas') + ' & ' |
---|
| 681 | output_string += parameter[0].replace('.width', '.npts') |
---|
| 682 | |
---|
| 683 | if index < len(parameters) - 1: |
---|
| 684 | output_string += ' & ' |
---|
| 685 | |
---|
| 686 | output_string += r'\\ \hline' |
---|
| 687 | output_string += crlf |
---|
| 688 | |
---|
| 689 | # Construct row of values and errors |
---|
| 690 | for index, parameter in enumerate(parameters): |
---|
| 691 | output_string += parameter[2] |
---|
| 692 | if parameter[1] == "True" and parameter[3] is not None: |
---|
| 693 | output_string += ' & ' |
---|
| 694 | output_string += parameter[3] |
---|
| 695 | |
---|
| 696 | if index < len(parameters) - 1: |
---|
| 697 | output_string += ' & ' |
---|
| 698 | |
---|
| 699 | # add .npts and .nsigmas when necessary |
---|
| 700 | if parameter[0][-6:] == ".width": |
---|
| 701 | output_string += parameter[5] + ' & ' |
---|
| 702 | output_string += parameter[4] |
---|
| 703 | |
---|
| 704 | if index < len(parameters) - 1: |
---|
| 705 | output_string += ' & ' |
---|
| 706 | |
---|
| 707 | output_string += r'\\ \hline' |
---|
| 708 | output_string += crlf |
---|
| 709 | output_string += r'\end{tabular}' |
---|
| 710 | output_string += r'\end{table}' |
---|
| 711 | |
---|
| 712 | return output_string |
---|