[2add354] | 1 | import numpy as np |
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[4d457df] | 2 | |
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[dc5ef15] | 3 | from sas.qtgui.Plotting.PlotterData import Data1D |
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| 4 | from sas.qtgui.Plotting.PlotterData import Data2D |
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| 5 | |
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[4d457df] | 6 | from sas.sascalc.dataloader.data_info import Detector |
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| 7 | from sas.sascalc.dataloader.data_info import Source |
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| 8 | |
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| 9 | |
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| 10 | class FittingLogic(object): |
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| 11 | """ |
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| 12 | All the data-related logic. This class deals exclusively with Data1D/2D |
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| 13 | No QStandardModelIndex here. |
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| 14 | """ |
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| 15 | def __init__(self, data=None): |
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| 16 | self._data = data |
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[7248d75d] | 17 | self.data_is_loaded = False |
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[87dfca4] | 18 | #dq data presence in the dataset |
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| 19 | self.dq_flag = False |
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| 20 | #di data presence in the dataset |
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| 21 | self.di_flag = False |
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[7248d75d] | 22 | if data is not None: |
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| 23 | self.data_is_loaded = True |
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[87dfca4] | 24 | self.setDataProperties() |
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[4d457df] | 25 | |
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| 26 | @property |
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| 27 | def data(self): |
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| 28 | return self._data |
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| 29 | |
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| 30 | @data.setter |
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| 31 | def data(self, value): |
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| 32 | """ data setter """ |
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| 33 | self._data = value |
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| 34 | self.data_is_loaded = True |
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[87dfca4] | 35 | self.setDataProperties() |
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[4d457df] | 36 | |
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[180bd54] | 37 | def isLoadedData(self): |
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| 38 | """ accessor """ |
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| 39 | return self.data_is_loaded |
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| 40 | |
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[87dfca4] | 41 | def setDataProperties(self): |
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| 42 | """ |
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| 43 | Analyze data and set up some properties important for |
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| 44 | the Presentation layer |
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| 45 | """ |
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| 46 | if self._data.__class__.__name__ == "Data2D": |
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| 47 | if self._data.err_data is not None and np.any(self._data.err_data): |
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| 48 | self.di_flag = True |
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| 49 | if self._data.dqx_data is not None and np.any(self._data.dqx_data): |
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| 50 | self.dq_flag = True |
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| 51 | else: |
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| 52 | if self._data.dy is not None and np.any(self._data.dy): |
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| 53 | self.di_flag = True |
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| 54 | if self._data.dx is not None and np.any(self._data.dx): |
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| 55 | self.dq_flag = True |
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| 56 | elif self._data.dxl is not None and np.any(self._data.dxl): |
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| 57 | self.dq_flag = True |
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| 58 | |
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[4d457df] | 59 | def createDefault1dData(self, interval, tab_id=0): |
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| 60 | """ |
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| 61 | Create default data for fitting perspective |
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| 62 | Only when the page is on theory mode. |
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| 63 | """ |
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| 64 | self._data = Data1D(x=interval) |
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| 65 | self._data.xaxis('\\rm{Q}', "A^{-1}") |
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| 66 | self._data.yaxis('\\rm{Intensity}', "cm^{-1}") |
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| 67 | self._data.is_data = False |
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| 68 | self._data.id = str(tab_id) + " data" |
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| 69 | self._data.group_id = str(tab_id) + " Model1D" |
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| 70 | |
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| 71 | def createDefault2dData(self, qmax, qstep, tab_id=0): |
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| 72 | """ |
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| 73 | Create 2D data by default |
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| 74 | Only when the page is on theory mode. |
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| 75 | """ |
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| 76 | self._data = Data2D() |
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| 77 | self._data.xaxis('\\rm{Q_{x}}', 'A^{-1}') |
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| 78 | self._data.yaxis('\\rm{Q_{y}}', 'A^{-1}') |
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| 79 | self._data.is_data = False |
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| 80 | self._data.id = str(tab_id) + " data" |
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| 81 | self._data.group_id = str(tab_id) + " Model2D" |
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| 82 | |
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| 83 | # Default detector |
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| 84 | self._data.detector.append(Detector()) |
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| 85 | index = len(self._data.detector) - 1 |
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| 86 | self._data.detector[index].distance = 8000 # mm |
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| 87 | self._data.source.wavelength = 6 # A |
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| 88 | self._data.detector[index].pixel_size.x = 5 # mm |
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| 89 | self._data.detector[index].pixel_size.y = 5 # mm |
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| 90 | self._data.detector[index].beam_center.x = qmax |
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| 91 | self._data.detector[index].beam_center.y = qmax |
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| 92 | # theory default: assume the beam |
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| 93 | #center is located at the center of sqr detector |
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| 94 | xmax = qmax |
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| 95 | xmin = -qmax |
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| 96 | ymax = qmax |
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| 97 | ymin = -qmax |
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| 98 | |
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[2add354] | 99 | x = np.linspace(start=xmin, stop=xmax, num=qstep, endpoint=True) |
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| 100 | y = np.linspace(start=ymin, stop=ymax, num=qstep, endpoint=True) |
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[4d457df] | 101 | # Use data info instead |
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[2add354] | 102 | new_x = np.tile(x, (len(y), 1)) |
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| 103 | new_y = np.tile(y, (len(x), 1)) |
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[4d457df] | 104 | new_y = new_y.swapaxes(0, 1) |
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| 105 | |
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| 106 | # all data required in 1d array |
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| 107 | qx_data = new_x.flatten() |
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| 108 | qy_data = new_y.flatten() |
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[2add354] | 109 | q_data = np.sqrt(qx_data * qx_data + qy_data * qy_data) |
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[4d457df] | 110 | |
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| 111 | # set all True (standing for unmasked) as default |
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[2add354] | 112 | mask = np.ones(len(qx_data), dtype=bool) |
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[4d457df] | 113 | # calculate the range of qx and qy: this way, |
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| 114 | # it is a little more independent |
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| 115 | # store x and y bin centers in q space |
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| 116 | x_bins = x |
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| 117 | y_bins = y |
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| 118 | |
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| 119 | self._data.source = Source() |
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[2add354] | 120 | self._data.data = np.ones(len(mask)) |
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| 121 | self._data.err_data = np.ones(len(mask)) |
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[4d457df] | 122 | self._data.qx_data = qx_data |
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| 123 | self._data.qy_data = qy_data |
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| 124 | self._data.q_data = q_data |
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| 125 | self._data.mask = mask |
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| 126 | self._data.x_bins = x_bins |
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| 127 | self._data.y_bins = y_bins |
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| 128 | # max and min taking account of the bin sizes |
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| 129 | self._data.xmin = xmin |
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| 130 | self._data.xmax = xmax |
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| 131 | self._data.ymin = ymin |
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| 132 | self._data.ymax = ymax |
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| 133 | |
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[3ae9179] | 134 | def _create1DPlot(self, tab_id, x, y, model, data, component=None): |
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[4d457df] | 135 | """ |
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[44777ee] | 136 | For internal use: create a new 1D data instance based on fitting results. |
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| 137 | 'component' is a string indicating the model component, e.g. "P(Q)" |
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[4d457df] | 138 | """ |
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| 139 | # Create the new plot |
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| 140 | new_plot = Data1D(x=x, y=y) |
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| 141 | new_plot.is_data = False |
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[2add354] | 142 | new_plot.dy = np.zeros(len(y)) |
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[4d457df] | 143 | _yaxis, _yunit = data.get_yaxis() |
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| 144 | _xaxis, _xunit = data.get_xaxis() |
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| 145 | |
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| 146 | new_plot.group_id = data.group_id |
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[3ae9179] | 147 | new_plot.id = str(tab_id) + " " + ("[" + component + "] " if component else "") + model.id |
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[d6e38661] | 148 | |
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[3ae9179] | 149 | # use data.filename for data, use model.id for theory |
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| 150 | id_str = data.filename if data.filename else model.id |
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| 151 | new_plot.name = model.name + ((" " + component) if component else "") + " [" + id_str + "]" |
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[d6e38661] | 152 | |
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[0268aed] | 153 | new_plot.title = new_plot.name |
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[4d457df] | 154 | new_plot.xaxis(_xaxis, _xunit) |
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| 155 | new_plot.yaxis(_yaxis, _yunit) |
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| 156 | |
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[6fd4e36] | 157 | return new_plot |
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[4d457df] | 158 | |
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[3ae9179] | 159 | def new1DPlot(self, return_data, tab_id): |
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| 160 | """ |
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| 161 | Create a new 1D data instance based on fitting results |
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| 162 | """ |
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[dcabba7] | 163 | return self._create1DPlot(tab_id, return_data['x'], return_data['y'], |
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| 164 | return_data['model'], return_data['data']) |
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[3ae9179] | 165 | |
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[4d457df] | 166 | def new2DPlot(self, return_data): |
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| 167 | """ |
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| 168 | Create a new 2D data instance based on fitting results |
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| 169 | """ |
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[dcabba7] | 170 | image = return_data['image'] |
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| 171 | data = return_data['data'] |
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| 172 | model = return_data['model'] |
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[4d457df] | 173 | |
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[2add354] | 174 | np.nan_to_num(image) |
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[4d457df] | 175 | new_plot = Data2D(image=image, err_image=data.err_data) |
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| 176 | new_plot.name = model.name + '2d' |
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| 177 | new_plot.title = "Analytical model 2D " |
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[dcabba7] | 178 | new_plot.id = str(return_data['page_id']) + " " + data.name |
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| 179 | new_plot.group_id = str(return_data['page_id']) + " Model2D" |
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[4d457df] | 180 | new_plot.detector = data.detector |
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| 181 | new_plot.source = data.source |
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| 182 | new_plot.is_data = False |
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| 183 | new_plot.qx_data = data.qx_data |
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| 184 | new_plot.qy_data = data.qy_data |
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| 185 | new_plot.q_data = data.q_data |
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| 186 | new_plot.mask = data.mask |
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| 187 | ## plot boundaries |
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| 188 | new_plot.ymin = data.ymin |
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| 189 | new_plot.ymax = data.ymax |
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| 190 | new_plot.xmin = data.xmin |
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| 191 | new_plot.xmax = data.xmax |
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| 192 | |
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| 193 | title = data.title |
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| 194 | |
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| 195 | new_plot.is_data = False |
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| 196 | if data.is_data: |
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| 197 | data_name = str(data.name) |
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| 198 | else: |
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| 199 | data_name = str(model.__class__.__name__) + '2d' |
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| 200 | |
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| 201 | if len(title) > 1: |
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| 202 | new_plot.title = "Model2D for %s " % model.name + data_name |
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| 203 | new_plot.name = model.name + " [" + \ |
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| 204 | data_name + "]" |
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| 205 | |
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[6fd4e36] | 206 | return new_plot |
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[4d457df] | 207 | |
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[3ae9179] | 208 | def new1DProductPlots(self, return_data, tab_id): |
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| 209 | """ |
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[b4d05bd] | 210 | If return_data contains separated P(Q) and/or S(Q) data, create 1D plots for each and return as the tuple |
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| 211 | (pq_plot, sq_plot). If either are unavailable, the corresponding plot is None. |
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[3ae9179] | 212 | """ |
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[40975f8] | 213 | plots = [] |
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[9ba91b7] | 214 | for name, result in return_data['intermediate_results'].items(): |
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| 215 | plots.append(self._create1DPlot(tab_id, return_data['x'], result, |
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| 216 | return_data['model'], return_data['data'], |
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| 217 | component=name)) |
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[40975f8] | 218 | return plots |
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[3ae9179] | 219 | |
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[4d457df] | 220 | def computeDataRange(self): |
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| 221 | """ |
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[ee18d33] | 222 | Wrapper for calculating the data range based on local dataset |
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| 223 | """ |
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| 224 | return self.computeRangeFromData(self.data) |
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| 225 | |
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| 226 | def computeRangeFromData(self, data): |
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| 227 | """ |
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[4d457df] | 228 | Compute the minimum and the maximum range of the data |
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| 229 | return the npts contains in data |
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| 230 | """ |
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| 231 | qmin, qmax, npts = None, None, None |
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[ee18d33] | 232 | if isinstance(data, Data1D): |
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[4d457df] | 233 | try: |
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[ee18d33] | 234 | qmin = min(data.x) |
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| 235 | qmax = max(data.x) |
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| 236 | npts = len(data.x) |
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[4d457df] | 237 | except (ValueError, TypeError): |
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| 238 | msg = "Unable to find min/max/length of \n data named %s" % \ |
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| 239 | self.data.filename |
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[b3e8629] | 240 | raise ValueError(msg) |
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[4d457df] | 241 | |
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| 242 | else: |
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| 243 | qmin = 0 |
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| 244 | try: |
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[ee18d33] | 245 | x = max(np.fabs(data.xmin), np.fabs(data.xmax)) |
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| 246 | y = max(np.fabs(data.ymin), np.fabs(data.ymax)) |
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[4d457df] | 247 | except (ValueError, TypeError): |
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| 248 | msg = "Unable to find min/max of \n data named %s" % \ |
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| 249 | self.data.filename |
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[b3e8629] | 250 | raise ValueError(msg) |
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[2add354] | 251 | qmax = np.sqrt(x * x + y * y) |
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[ee18d33] | 252 | npts = len(data.data) |
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[4d457df] | 253 | return qmin, qmax, npts |
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