[4d457df] | 1 | from PyQt4 import QtGui |
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| 2 | from PyQt4 import QtCore |
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| 3 | |
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[6fd4e36] | 4 | import numpy |
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| 5 | from copy import deepcopy |
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| 6 | |
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| 7 | from sas.sasgui.guiframe.dataFitting import Data1D |
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| 8 | from sas.sasgui.guiframe.dataFitting import Data2D |
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| 9 | |
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[4d457df] | 10 | def replaceShellName(param_name, value): |
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| 11 | """ |
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| 12 | Updates parameter name from <param_name>[n_shell] to <param_name>value |
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| 13 | """ |
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| 14 | assert '[' in param_name |
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| 15 | return param_name[:param_name.index('[')]+str(value) |
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| 16 | |
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| 17 | def getIterParams(model): |
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| 18 | """ |
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| 19 | Returns a list of all multi-shell parameters in 'model' |
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| 20 | """ |
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| 21 | return list(filter(lambda par: "[" in par.name, model.iq_parameters)) |
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| 22 | |
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| 23 | def getMultiplicity(model): |
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| 24 | """ |
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| 25 | Finds out if 'model' has multishell parameters. |
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| 26 | If so, returns the name of the counter parameter and the number of shells |
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| 27 | """ |
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| 28 | iter_params = getIterParams(model) |
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[a9b568c] | 29 | param_name = "" |
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| 30 | param_length = 0 |
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| 31 | if iter_params: |
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| 32 | param_length = iter_params[0].length |
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| 33 | param_name = iter_params[0].length_control |
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| 34 | if param_name is None and '[' in iter_params[0].name: |
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| 35 | param_name = iter_params[0].name[:iter_params[0].name.index('[')] |
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| 36 | return (param_name, param_length) |
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[4d457df] | 37 | |
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| 38 | def addParametersToModel(parameters, model): |
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| 39 | """ |
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| 40 | Update local ModelModel with sasmodel parameters |
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| 41 | """ |
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| 42 | multishell_parameters = getIterParams(parameters) |
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| 43 | multishell_param_name, _ = getMultiplicity(parameters) |
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| 44 | |
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| 45 | for param in parameters.iq_parameters: |
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| 46 | # don't include shell parameters |
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| 47 | if param.name == multishell_param_name: |
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| 48 | continue |
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| 49 | # Modify parameter name from <param>[n] to <param>1 |
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| 50 | item_name = param.name |
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| 51 | if param in multishell_parameters: |
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[b1e36a3] | 52 | continue |
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| 53 | # item_name = replaceShellName(param.name, 1) |
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[4d457df] | 54 | |
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| 55 | item1 = QtGui.QStandardItem(item_name) |
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| 56 | item1.setCheckable(True) |
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| 57 | # check for polydisp params |
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| 58 | if param.polydisperse: |
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| 59 | poly_item = QtGui.QStandardItem("Polydispersity") |
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| 60 | item1_1 = QtGui.QStandardItem("Distribution") |
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| 61 | # Find param in volume_params |
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| 62 | for p in parameters.form_volume_parameters: |
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| 63 | if p.name != param.name: |
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| 64 | continue |
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| 65 | item1_2 = QtGui.QStandardItem(str(p.default)) |
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| 66 | item1_3 = QtGui.QStandardItem(str(p.limits[0])) |
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| 67 | item1_4 = QtGui.QStandardItem(str(p.limits[1])) |
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| 68 | item1_5 = QtGui.QStandardItem(p.units) |
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| 69 | poly_item.appendRow([item1_1, item1_2, item1_3, item1_4, item1_5]) |
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| 70 | break |
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| 71 | # Add the polydisp item as a child |
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| 72 | item1.appendRow([poly_item]) |
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| 73 | # Param values |
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| 74 | item2 = QtGui.QStandardItem(str(param.default)) |
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| 75 | # TODO: the error column. |
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| 76 | # Either add a proxy model or a custom view delegate |
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| 77 | #item_err = QtGui.QStandardItem() |
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| 78 | item3 = QtGui.QStandardItem(str(param.limits[0])) |
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| 79 | item4 = QtGui.QStandardItem(str(param.limits[1])) |
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| 80 | item5 = QtGui.QStandardItem(param.units) |
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| 81 | model.appendRow([item1, item2, item3, item4, item5]) |
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| 82 | |
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| 83 | def addSimpleParametersToModel(parameters, model): |
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| 84 | """ |
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| 85 | Update local ModelModel with sasmodel parameters |
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| 86 | """ |
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| 87 | for param in parameters.iq_parameters: |
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[7248d75d] | 88 | # Create the top level, checkable item |
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[4d457df] | 89 | item_name = param.name |
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| 90 | item1 = QtGui.QStandardItem(item_name) |
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| 91 | item1.setCheckable(True) |
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| 92 | # Param values |
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| 93 | item2 = QtGui.QStandardItem(str(param.default)) |
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| 94 | # TODO: the error column. |
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| 95 | # Either add a proxy model or a custom view delegate |
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| 96 | #item_err = QtGui.QStandardItem() |
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| 97 | item3 = QtGui.QStandardItem(str(param.limits[0])) |
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| 98 | item4 = QtGui.QStandardItem(str(param.limits[1])) |
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| 99 | item5 = QtGui.QStandardItem(param.units) |
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| 100 | model.appendRow([item1, item2, item3, item4, item5]) |
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| 101 | |
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| 102 | def addCheckedListToModel(model, param_list): |
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| 103 | """ |
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| 104 | Add a QItem to model. Makes the QItem checkable |
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| 105 | """ |
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| 106 | assert isinstance(model, QtGui.QStandardItemModel) |
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| 107 | item_list = [QtGui.QStandardItem(item) for item in param_list] |
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| 108 | item_list[0].setCheckable(True) |
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| 109 | model.appendRow(item_list) |
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| 110 | |
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| 111 | def addHeadersToModel(model): |
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| 112 | """ |
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| 113 | Adds predefined headers to the model |
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| 114 | """ |
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| 115 | model.setHeaderData(0, QtCore.Qt.Horizontal, QtCore.QVariant("Parameter")) |
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| 116 | model.setHeaderData(1, QtCore.Qt.Horizontal, QtCore.QVariant("Value")) |
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| 117 | model.setHeaderData(2, QtCore.Qt.Horizontal, QtCore.QVariant("Min")) |
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| 118 | model.setHeaderData(3, QtCore.Qt.Horizontal, QtCore.QVariant("Max")) |
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| 119 | model.setHeaderData(4, QtCore.Qt.Horizontal, QtCore.QVariant("[Units]")) |
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| 120 | |
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| 121 | def addPolyHeadersToModel(model): |
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| 122 | """ |
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| 123 | Adds predefined headers to the model |
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| 124 | """ |
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| 125 | model.setHeaderData(0, QtCore.Qt.Horizontal, QtCore.QVariant("Parameter")) |
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| 126 | model.setHeaderData(1, QtCore.Qt.Horizontal, QtCore.QVariant("PD[ratio]")) |
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| 127 | model.setHeaderData(2, QtCore.Qt.Horizontal, QtCore.QVariant("Min")) |
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| 128 | model.setHeaderData(3, QtCore.Qt.Horizontal, QtCore.QVariant("Max")) |
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| 129 | model.setHeaderData(4, QtCore.Qt.Horizontal, QtCore.QVariant("Npts")) |
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| 130 | model.setHeaderData(5, QtCore.Qt.Horizontal, QtCore.QVariant("Nsigs")) |
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| 131 | model.setHeaderData(6, QtCore.Qt.Horizontal, QtCore.QVariant("Function")) |
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| 132 | |
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| 133 | def addShellsToModel(parameters, model, index): |
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| 134 | """ |
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| 135 | Find out multishell parameters and update the model with the requested number of them |
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| 136 | """ |
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| 137 | multishell_parameters = getIterParams(parameters) |
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| 138 | |
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| 139 | for i in xrange(index): |
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| 140 | for par in multishell_parameters: |
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[b1e36a3] | 141 | # Create the name: <param>[<i>], e.g. "sld1" for parameter "sld[n]" |
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| 142 | param_name = replaceShellName(par.name, i+1) |
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[4d457df] | 143 | item1 = QtGui.QStandardItem(param_name) |
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| 144 | item1.setCheckable(True) |
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| 145 | # check for polydisp params |
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| 146 | if par.polydisperse: |
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| 147 | poly_item = QtGui.QStandardItem("Polydispersity") |
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| 148 | item1_1 = QtGui.QStandardItem("Distribution") |
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| 149 | # Find param in volume_params |
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| 150 | for p in parameters.form_volume_parameters: |
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| 151 | if p.name != par.name: |
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| 152 | continue |
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| 153 | item1_2 = QtGui.QStandardItem(str(p.default)) |
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| 154 | item1_3 = QtGui.QStandardItem(str(p.limits[0])) |
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| 155 | item1_4 = QtGui.QStandardItem(str(p.limits[1])) |
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| 156 | item1_5 = QtGui.QStandardItem(p.units) |
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| 157 | poly_item.appendRow([item1_1, item1_2, item1_3, item1_4, item1_5]) |
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| 158 | break |
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| 159 | item1.appendRow([poly_item]) |
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| 160 | |
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| 161 | item2 = QtGui.QStandardItem(str(par.default)) |
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| 162 | item3 = QtGui.QStandardItem(str(par.limits[0])) |
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| 163 | item4 = QtGui.QStandardItem(str(par.limits[1])) |
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| 164 | item5 = QtGui.QStandardItem(par.units) |
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| 165 | model.appendRow([item1, item2, item3, item4, item5]) |
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| 166 | |
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[6fd4e36] | 167 | def calculateChi2(reference_data, current_data): |
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| 168 | """ |
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| 169 | Calculate Chi2 value between two sets of data |
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| 170 | """ |
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| 171 | |
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| 172 | # WEIGHING INPUT |
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| 173 | #from sas.sasgui.perspectives.fitting.utils import get_weight |
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| 174 | #flag = self.get_weight_flag() |
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| 175 | #weight = get_weight(data=self.data, is2d=self._is_2D(), flag=flag) |
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| 176 | |
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| 177 | if reference_data == None: |
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| 178 | return chisqr |
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| 179 | |
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| 180 | # temporary default values for index and weight |
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| 181 | index = None |
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| 182 | weight = None |
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| 183 | |
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| 184 | # Get data: data I, theory I, and data dI in order |
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| 185 | if isinstance(reference_data, Data2D): |
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| 186 | if index == None: |
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| 187 | index = numpy.ones(len(current_data.data), dtype=bool) |
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| 188 | if weight != None: |
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| 189 | current_data.err_data = weight |
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| 190 | # get rid of zero error points |
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| 191 | index = index & (current_data.err_data != 0) |
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| 192 | index = index & (numpy.isfinite(current_data.data)) |
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| 193 | fn = current_data.data[index] |
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| 194 | gn = reference_data.data[index] |
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| 195 | en = current_data.err_data[index] |
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| 196 | else: |
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| 197 | # 1 d theory from model_thread is only in the range of index |
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| 198 | if index == None: |
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| 199 | index = numpy.ones(len(current_data.y), dtype=bool) |
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| 200 | if weight != None: |
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| 201 | current_data.dy = weight |
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| 202 | if current_data.dy == None or current_data.dy == []: |
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| 203 | dy = numpy.ones(len(current_data.y)) |
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| 204 | else: |
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| 205 | ## Set consistently w/AbstractFitengine: |
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| 206 | # But this should be corrected later. |
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| 207 | dy = deepcopy(current_data.dy) |
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| 208 | dy[dy == 0] = 1 |
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| 209 | fn = current_data.y[index] |
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| 210 | gn = reference_data.y |
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| 211 | en = dy[index] |
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| 212 | # Calculate the residual |
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| 213 | try: |
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| 214 | res = (fn - gn) / en |
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| 215 | except ValueError: |
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| 216 | print "Chi2 calculations: Unmatched lengths %s, %s, %s" % (len(fn), len(gn), len(en)) |
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| 217 | return |
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| 218 | |
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| 219 | residuals = res[numpy.isfinite(res)] |
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| 220 | chisqr = numpy.average(residuals * residuals) |
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| 221 | |
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| 222 | return chisqr |
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| 223 | |
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| 224 | def binary_encode(i, digits): |
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| 225 | return [i >> d & 1 for d in xrange(digits)] |
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| 226 | |
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