[c23f303] | 1 | import wx |
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| 2 | import sys |
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[e73e723] | 3 | import numpy as np |
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[c23f303] | 4 | from wx.lib.scrolledpanel import ScrolledPanel |
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[3901e7c] | 5 | from sas.sasgui.guiframe.events import PlotQrangeEvent |
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| 6 | from sas.sasgui.guiframe.events import StatusEvent |
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[c23f303] | 7 | from sas.sasgui.guiframe.panel_base import PanelBase |
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[3901e7c] | 8 | from sas.sasgui.guiframe.utils import check_float |
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[3b8efec] | 9 | from sas.sasgui.guiframe.dataFitting import Data1D |
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[7858575] | 10 | from sas.sasgui.perspectives.invariant.invariant_widgets import OutputTextCtrl |
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[9f7dde3] | 11 | from sas.sasgui.perspectives.invariant.invariant_widgets import InvTextCtrl |
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[3901e7c] | 12 | from sas.sasgui.perspectives.fitting.basepage import ModelTextCtrl |
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[e02d8f6] | 13 | from sas.sasgui.perspectives.corfunc.corfunc_state import CorfuncState |
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[3b8efec] | 14 | import sas.sasgui.perspectives.corfunc.corfunc |
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| 15 | from sas.sascalc.corfunc.corfunc_calculator import CorfuncCalculator |
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[ebfdf4b] | 16 | from sas.sasgui.guiframe.documentation_window import DocumentationWindow |
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[37e7223] | 17 | from plot_labels import * |
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[c23f303] | 18 | |
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[033c14c] | 19 | OUTPUT_STRINGS = { |
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| 20 | 'max': "Long Period (A): ", |
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| 21 | 'Lc': "Average Hard Block Thickness (A): ", |
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| 22 | 'dtr': "Average Interface Thickness (A): ", |
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| 23 | 'd0': "Average Core Thickness: ", |
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[8bdc103] | 24 | 'A': "Polydispersity: ", |
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[c512f7d] | 25 | 'fill': "Local Crystallinity: " |
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[033c14c] | 26 | } |
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| 27 | |
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[c23f303] | 28 | if sys.platform.count("win32") > 0: |
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[7858575] | 29 | _STATICBOX_WIDTH = 350 |
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| 30 | PANEL_WIDTH = 400 |
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[c23f303] | 31 | PANEL_HEIGHT = 700 |
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| 32 | FONT_VARIANT = 0 |
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| 33 | else: |
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[7858575] | 34 | _STATICBOX_WIDTH = 390 |
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| 35 | PANEL_WIDTH = 430 |
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[c23f303] | 36 | PANEL_HEIGHT = 700 |
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| 37 | FONT_VARIANT = 1 |
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| 38 | |
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| 39 | class CorfuncPanel(ScrolledPanel,PanelBase): |
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| 40 | window_name = "Correlation Function" |
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| 41 | window_caption = "Correlation Function" |
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| 42 | CENTER_PANE = True |
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| 43 | |
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| 44 | def __init__(self, parent, data=None, manager=None, *args, **kwds): |
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| 45 | kwds["size"] = (PANEL_WIDTH, PANEL_HEIGHT) |
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| 46 | kwds["style"] = wx.FULL_REPAINT_ON_RESIZE |
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| 47 | ScrolledPanel.__init__(self, parent=parent, *args, **kwds) |
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| 48 | PanelBase.__init__(self, parent) |
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| 49 | self.SetupScrolling() |
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| 50 | self.SetWindowVariant(variant=FONT_VARIANT) |
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| 51 | self._manager = manager |
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[911dbe4] | 52 | # The data with no correction for background values |
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| 53 | self._data = data # The data to be analysed (corrected fr background) |
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[3b8efec] | 54 | self._extrapolated_data = None # The extrapolated data set |
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[033c14c] | 55 | self._transformed_data = None # Fourier trans. of the extrapolated data |
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[911dbe4] | 56 | self._calculator = CorfuncCalculator() |
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[3ec4b8f] | 57 | self._data_name_box = None # Text box to show name of file |
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[b564ea2] | 58 | self._background_input = None |
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[3901e7c] | 59 | self._qmin_input = None |
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| 60 | self._qmax1_input = None |
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| 61 | self._qmax2_input = None |
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[711e157] | 62 | self._extrapolate_btn = None |
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[911dbe4] | 63 | self._transform_btn = None |
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[033c14c] | 64 | self._extract_btn = None |
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[e02d8f6] | 65 | self.qmin = 0 |
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| 66 | self.qmax = (0, 0) |
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[b564ea2] | 67 | self.background = 0 |
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[a684c64] | 68 | self.extracted_params = None |
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[d03228e] | 69 | self.transform_type = 'fourier' |
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[ff11b21] | 70 | self._extrapolation_outputs = {} |
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[033c14c] | 71 | # Dictionary for saving refs to text boxes used to display output data |
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| 72 | self._output_boxes = None |
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[c23f303] | 73 | self.state = None |
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| 74 | self._do_layout() |
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[54a0989] | 75 | self._disable_inputs() |
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[e02d8f6] | 76 | self.set_state() |
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[b564ea2] | 77 | self._qmin_input.Bind(wx.EVT_TEXT, self._on_enter_input) |
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| 78 | self._qmax1_input.Bind(wx.EVT_TEXT, self._on_enter_input) |
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| 79 | self._qmax2_input.Bind(wx.EVT_TEXT, self._on_enter_input) |
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[688d029] | 80 | self._qmin_input.Bind(wx.EVT_MOUSE_EVENTS, self._on_click_qrange) |
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| 81 | self._qmax1_input.Bind(wx.EVT_MOUSE_EVENTS, self._on_click_qrange) |
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| 82 | self._qmax2_input.Bind(wx.EVT_MOUSE_EVENTS, self._on_click_qrange) |
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[3b8efec] | 83 | self._background_input.Bind(wx.EVT_TEXT, self._on_enter_input) |
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[c23f303] | 84 | |
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| 85 | def set_state(self, state=None, data=None): |
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[9c90cf3] | 86 | """ |
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| 87 | Set the state of the panel. If no state is provided, the panel will |
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| 88 | be set to the default state. |
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| 89 | |
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| 90 | :param state: A CorfuncState object |
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| 91 | :param data: A Data1D object |
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| 92 | """ |
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[e02d8f6] | 93 | if state is None: |
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| 94 | self.state = CorfuncState() |
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| 95 | else: |
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| 96 | self.state = state |
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| 97 | if data is not None: |
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| 98 | self.state.data = data |
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[3b8efec] | 99 | self.set_data(data, set_qrange=False) |
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[e02d8f6] | 100 | if self.state.qmin is not None: |
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| 101 | self.set_qmin(self.state.qmin) |
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| 102 | if self.state.qmax is not None and self.state.qmax != (None, None): |
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| 103 | self.set_qmax(tuple(self.state.qmax)) |
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[b564ea2] | 104 | if self.state.background is not None: |
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| 105 | self.set_background(self.state.background) |
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[2ff9e37] | 106 | if self.state.is_extrapolated: |
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[6ccf18e] | 107 | self.compute_extrapolation() |
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[2ff9e37] | 108 | else: |
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| 109 | return |
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| 110 | if self.state.is_transformed: |
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[6ccf18e] | 111 | self.compute_transform() |
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[2ff9e37] | 112 | else: |
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| 113 | return |
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| 114 | if self.state.outputs is not None and self.state.outputs != {}: |
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[eb320682] | 115 | self.set_extracted_params(self.state.outputs, reset=True) |
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[e02d8f6] | 116 | |
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| 117 | def get_state(self): |
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| 118 | """ |
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| 119 | Return the state of the panel |
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| 120 | """ |
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| 121 | state = CorfuncState() |
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| 122 | state.set_saved_state('qmin_tcl', self.qmin) |
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| 123 | state.set_saved_state('qmax1_tcl', self.qmax[0]) |
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| 124 | state.set_saved_state('qmax2_tcl', self.qmax[1]) |
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[b564ea2] | 125 | state.set_saved_state('background_tcl', self.background) |
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[a684c64] | 126 | state.outputs = self.extracted_params |
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[e02d8f6] | 127 | if self._data is not None: |
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| 128 | state.file = self._data.title |
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| 129 | state.data = self._data |
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[2ff9e37] | 130 | if self._extrapolated_data is not None: |
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| 131 | state.is_extrapolated = True |
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| 132 | if self._transformed_data is not None: |
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| 133 | state.is_transformed = True |
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[e02d8f6] | 134 | self.state = state |
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| 135 | |
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| 136 | return self.state |
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[c23f303] | 137 | |
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[3901e7c] | 138 | def onSetFocus(self, evt): |
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| 139 | if evt is not None: |
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| 140 | evt.Skip() |
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[b564ea2] | 141 | self._validate_inputs() |
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[3901e7c] | 142 | |
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[e02d8f6] | 143 | def set_data(self, data=None, set_qrange=True): |
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[7858575] | 144 | """ |
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| 145 | Update the GUI to reflect new data that has been loaded in |
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| 146 | |
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| 147 | :param data: The data that has been loaded |
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| 148 | """ |
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[e02d8f6] | 149 | if data is None: |
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[da19985] | 150 | self._disable_inputs() |
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[ff11b21] | 151 | # Reset outputs |
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[da19985] | 152 | self.set_extracted_params(reset=True) |
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[ff11b21] | 153 | self.set_extrapolation_params() |
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[da19985] | 154 | self._data = None |
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[e02d8f6] | 155 | return |
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[54a0989] | 156 | self._enable_inputs() |
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| 157 | self._transform_btn.Disable() |
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[033c14c] | 158 | self._extract_btn.Disable() |
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[e02d8f6] | 159 | self._data_name_box.SetValue(str(data.title)) |
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[3901e7c] | 160 | self._data = data |
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[911dbe4] | 161 | self._calculator.set_data(data) |
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[1150083] | 162 | # Reset the outputs |
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[eb320682] | 163 | self.set_extracted_params(None, reset=True) |
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[7858575] | 164 | if self._manager is not None: |
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[1150083] | 165 | self._manager.clear_data() |
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[911dbe4] | 166 | self._manager.show_data(self._data, IQ_DATA_LABEL, reset=True) |
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[1150083] | 167 | |
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[e02d8f6] | 168 | if set_qrange: |
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| 169 | lower = data.x[-1]*0.05 |
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| 170 | upper1 = data.x[-1] - lower*5 |
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| 171 | upper2 = data.x[-1] |
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| 172 | self.set_qmin(lower) |
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| 173 | self.set_qmax((upper1, upper2)) |
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[a3ed157] | 174 | self._compute_background() |
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[e02d8f6] | 175 | |
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| 176 | def get_data(self): |
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| 177 | return self._data |
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| 178 | |
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[d03228e] | 179 | def radio_changed(self, event=None): |
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| 180 | if event is not None: |
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| 181 | self.transform_type = event.GetEventObject().GetName() |
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| 182 | |
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[3b8efec] | 183 | def compute_extrapolation(self, event=None): |
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[6970e51] | 184 | """ |
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| 185 | Compute and plot the extrapolated data. |
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| 186 | Called when Extrapolate button is pressed. |
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| 187 | """ |
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[3b8efec] | 188 | if not self._validate_inputs: |
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| 189 | msg = "Invalid Q range entered." |
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| 190 | wx.PostEvent(self.parent.parent, StatusEvent(status=msg)) |
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| 191 | return |
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[93b145a] | 192 | |
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| 193 | warning_msg = "" |
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| 194 | if self.background < 0: |
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| 195 | warning_msg += "Negative background value entered." |
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| 196 | if any((self._data.y - self.background) < 0): |
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| 197 | if warning_msg != "": |
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| 198 | warning_msg += "\n" |
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| 199 | warning_msg += "Background value entered results in negative Intensity values." |
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| 200 | if warning_msg != "": |
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| 201 | dlg = wx.MessageDialog(self.parent.parent, warning_msg, caption="Warning", style=wx.ICON_EXCLAMATION) |
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| 202 | dlg.ShowModal() |
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| 203 | dlg.Destroy() |
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| 204 | |
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[911dbe4] | 205 | self._calculator.set_data(self._data) |
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| 206 | self._calculator.lowerq = self.qmin |
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| 207 | self._calculator.upperq = self.qmax |
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[275b448] | 208 | self._calculator.background = self.background |
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[93b145a] | 209 | |
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[cdd1c3b] | 210 | try: |
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[ff11b21] | 211 | params, self._extrapolated_data = self._calculator.compute_extrapolation() |
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[a3ed157] | 212 | except Exception as e: |
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| 213 | msg = "Error extrapolating data:\n" |
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| 214 | msg += str(e) |
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[cdd1c3b] | 215 | wx.PostEvent(self._manager.parent, |
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[a3ed157] | 216 | StatusEvent(status=msg, info="error")) |
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[cdd1c3b] | 217 | self._transform_btn.Disable() |
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| 218 | return |
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[3b8efec] | 219 | # TODO: Find way to set xlim and ylim so full range of data can be |
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[5878a9ea] | 220 | # plotted but zoomed in |
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[3b8efec] | 221 | maxq = self._data.x.max() |
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| 222 | mask = self._extrapolated_data.x <= maxq |
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| 223 | numpts = len(self._extrapolated_data.x[mask]) + 250 |
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| 224 | plot_x = self._extrapolated_data.x[0:numpts] |
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| 225 | plot_y = self._extrapolated_data.y[0:numpts] |
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| 226 | to_plot = Data1D(plot_x, plot_y) |
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| 227 | self._manager.show_data(to_plot, IQ_EXTRAPOLATED_DATA_LABEL) |
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[5878a9ea] | 228 | # Update state of the GUI |
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[911dbe4] | 229 | self._transform_btn.Enable() |
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[5878a9ea] | 230 | self._extract_btn.Disable() |
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| 231 | self.set_extracted_params(reset=True) |
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[ff11b21] | 232 | self.set_extrapolation_params(params) |
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[911dbe4] | 233 | |
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| 234 | def compute_transform(self, event=None): |
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[6970e51] | 235 | """ |
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| 236 | Compute and plot the transformed data. |
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| 237 | Called when Transform button is pressed. |
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| 238 | """ |
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[a2db1ab] | 239 | if not self._calculator.transform_isrunning(): |
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| 240 | self._calculator.compute_transform(self._extrapolated_data, |
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[d03228e] | 241 | self.transform_type, background=self.background, |
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| 242 | completefn=self.transform_complete, |
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[a2db1ab] | 243 | updatefn=self.transform_update) |
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[d03228e] | 244 | |
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[750a823] | 245 | self._transform_btn.SetLabel("Stop Transform") |
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[a2db1ab] | 246 | else: |
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| 247 | self._calculator.stop_transform() |
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[d03228e] | 248 | self.transform_update("Transform cancelled.") |
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[750a823] | 249 | self._transform_btn.SetLabel("Transform") |
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[a2db1ab] | 250 | |
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| 251 | def transform_update(self, msg=""): |
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| 252 | """ |
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[d03228e] | 253 | Called from FourierThread to update on status of calculation |
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[a2db1ab] | 254 | """ |
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| 255 | wx.PostEvent(self._manager.parent, |
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| 256 | StatusEvent(status=msg)) |
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| 257 | |
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| 258 | def transform_complete(self, transform=None): |
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| 259 | """ |
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[d03228e] | 260 | Called from FourierThread when calculation has completed |
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[a2db1ab] | 261 | """ |
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[2ed088a] | 262 | self._transform_btn.SetLabel("Transform") |
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[a2db1ab] | 263 | if transform is None: |
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[cdd1c3b] | 264 | msg = "Error calculating Transform." |
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[d03228e] | 265 | if self.transform_type == 'hilbert': |
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| 266 | msg = "Not yet implemented" |
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[cdd1c3b] | 267 | wx.PostEvent(self._manager.parent, |
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| 268 | StatusEvent(status=msg, info="Error")) |
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| 269 | self._extract_btn.Disable() |
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| 270 | return |
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[a2db1ab] | 271 | self._transformed_data = transform |
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[911dbe4] | 272 | import numpy as np |
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[a2db1ab] | 273 | plot_x = transform.x[np.where(transform.x <= 200)] |
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| 274 | plot_y = transform.y[np.where(transform.x <= 200)] |
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[911dbe4] | 275 | self._manager.show_data(Data1D(plot_x, plot_y), TRANSFORM_LABEL) |
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[d03228e] | 276 | # Only enable extract params button if a fourier trans. has been done |
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| 277 | if self.transform_type == 'fourier': |
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| 278 | self._extract_btn.Enable() |
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| 279 | else: |
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| 280 | self._extract_btn.Disable() |
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[033c14c] | 281 | |
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| 282 | def extract_parameters(self, event=None): |
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| 283 | try: |
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| 284 | params = self._calculator.extract_parameters(self._transformed_data) |
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| 285 | except: |
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| 286 | params = None |
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| 287 | if params is None: |
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| 288 | msg = "Error extracting parameters." |
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| 289 | wx.PostEvent(self._manager.parent, |
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[cdd1c3b] | 290 | StatusEvent(status=msg, info="Error")) |
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[033c14c] | 291 | return |
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[a684c64] | 292 | self.set_extracted_params(params) |
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[033c14c] | 293 | |
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[ebfdf4b] | 294 | def on_help(self, event=None): |
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| 295 | """ |
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| 296 | Show the corfunc documentation |
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| 297 | """ |
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| 298 | tree_location = "user/sasgui/perspectives/corfunc/corfunc_help.html" |
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| 299 | doc_viewer = DocumentationWindow(self, -1, tree_location, "", |
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| 300 | "Correlation Function Help") |
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| 301 | |
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[e02d8f6] | 302 | def save_project(self, doc=None): |
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| 303 | """ |
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| 304 | Return an XML node containing the state of the panel |
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[9c90cf3] | 305 | |
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| 306 | :param doc: Am xml node to attach the project state to (optional) |
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[e02d8f6] | 307 | """ |
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| 308 | data = self._data |
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| 309 | state = self.get_state() |
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[0bbebee] | 310 | if data is not None: |
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[e02d8f6] | 311 | new_doc, sasentry = self._manager.state_reader._to_xml_doc(data) |
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| 312 | new_doc = state.toXML(doc=new_doc, entry_node=sasentry) |
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| 313 | if new_doc is not None: |
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| 314 | if doc is not None and hasattr(doc, "firstChild"): |
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| 315 | child = new_doc.getElementsByTagName("SASentry") |
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| 316 | for item in child: |
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| 317 | doc.firstChild.appendChild(item) |
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| 318 | else: |
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| 319 | doc = new_doc |
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| 320 | return doc |
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[3901e7c] | 321 | |
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[9c90cf3] | 322 | def set_qmin(self, qmin): |
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| 323 | self.qmin = qmin |
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| 324 | self._qmin_input.SetValue(str(qmin)) |
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| 325 | |
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| 326 | def set_qmax(self, qmax): |
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| 327 | self.qmax = qmax |
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| 328 | self._qmax1_input.SetValue(str(qmax[0])) |
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| 329 | self._qmax2_input.SetValue(str(qmax[1])) |
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| 330 | |
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[b564ea2] | 331 | def set_background(self, bg): |
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| 332 | self.background = bg |
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| 333 | self._background_input.SetValue(str(bg)) |
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[dc72638] | 334 | self._calculator.background = bg |
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[7858575] | 335 | |
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[ff11b21] | 336 | def set_extrapolation_params(self, params=None): |
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| 337 | if params is None: |
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| 338 | # Reset outputs |
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| 339 | for output in self._extrapolation_outputs.values(): |
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| 340 | output.SetValue('-') |
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| 341 | return |
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| 342 | for key, value in params.iteritems(): |
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| 343 | output = self._extrapolation_outputs[key] |
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| 344 | rounded = self._round_sig_figs(value, 6) |
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| 345 | output.SetValue(rounded) |
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| 346 | |
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| 347 | |
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[eb320682] | 348 | def set_extracted_params(self, params=None, reset=False): |
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[a684c64] | 349 | self.extracted_params = params |
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[eb320682] | 350 | error = False |
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[a684c64] | 351 | if params is None: |
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[eb320682] | 352 | if not reset: error = True |
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[ff11b21] | 353 | for output in self._output_boxes.values(): |
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| 354 | output.SetValue('-') |
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[a684c64] | 355 | else: |
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[eb320682] | 356 | if len(params) < len(OUTPUT_STRINGS): |
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| 357 | # Not all parameters were calculated |
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| 358 | error = True |
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| 359 | for key, value in params.iteritems(): |
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[e73e723] | 360 | rounded = self._round_sig_figs(value, 6) |
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| 361 | self._output_boxes[key].SetValue(rounded) |
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[eb320682] | 362 | if error: |
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| 363 | msg = 'Not all parameters were able to be calculated' |
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| 364 | wx.PostEvent(self._manager.parent, StatusEvent( |
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| 365 | status=msg, info='error')) |
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| 366 | |
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[02a8779] | 367 | def plot_qrange(self, active=None, leftdown=False): |
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| 368 | if active is None: |
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| 369 | active = self._qmin_input |
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| 370 | wx.PostEvent(self._manager.parent, PlotQrangeEvent( |
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| 371 | ctrl=[self._qmin_input, self._qmax1_input, self._qmax2_input], |
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| 372 | active=active, id=IQ_DATA_LABEL, is_corfunc=True, |
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| 373 | group_id=GROUP_ID_IQ_DATA, leftdown=leftdown)) |
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| 374 | |
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[1150083] | 375 | |
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[911dbe4] | 376 | def _compute_background(self, event=None): |
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[a3ed157] | 377 | if event is not None: |
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| 378 | event.Skip() |
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| 379 | self._on_enter_input() |
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| 380 | try: |
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| 381 | bg = self._calculator.compute_background(self.qmax) |
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| 382 | self.set_background(bg) |
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| 383 | except Exception as e: |
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| 384 | msg = "Error computing background level:\n" |
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| 385 | msg += str(e) |
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| 386 | wx.PostEvent(self._manager.parent, |
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| 387 | StatusEvent(status=msg, info="error")) |
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[b564ea2] | 388 | |
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| 389 | def _on_enter_input(self, event=None): |
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[3901e7c] | 390 | """ |
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| 391 | Read values from input boxes and save to memory. |
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| 392 | """ |
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[e02d8f6] | 393 | if event is not None: event.Skip() |
---|
[b564ea2] | 394 | if not self._validate_inputs(): |
---|
[3901e7c] | 395 | return |
---|
[b564ea2] | 396 | self.qmin = float(self._qmin_input.GetValue()) |
---|
[3901e7c] | 397 | new_qmax1 = float(self._qmax1_input.GetValue()) |
---|
| 398 | new_qmax2 = float(self._qmax2_input.GetValue()) |
---|
| 399 | self.qmax = (new_qmax1, new_qmax2) |
---|
[b564ea2] | 400 | self.background = float(self._background_input.GetValue()) |
---|
[688d029] | 401 | self._calculator.background = self.background |
---|
[e02d8f6] | 402 | if event is not None: |
---|
[688d029] | 403 | active_ctrl = event.GetEventObject() |
---|
| 404 | if active_ctrl == self._background_input: |
---|
[02a8779] | 405 | self._manager.show_data(self._data, IQ_DATA_LABEL, |
---|
| 406 | reset=False, active_ctrl=active_ctrl) |
---|
[688d029] | 407 | |
---|
| 408 | def _on_click_qrange(self, event=None): |
---|
| 409 | if event is None: |
---|
| 410 | return |
---|
| 411 | event.Skip() |
---|
| 412 | if not self._validate_inputs(): return |
---|
[02a8779] | 413 | self.plot_qrange(active=event.GetEventObject(), |
---|
| 414 | leftdown=event.LeftDown()) |
---|
[3901e7c] | 415 | |
---|
[b564ea2] | 416 | def _validate_inputs(self): |
---|
[3901e7c] | 417 | """ |
---|
| 418 | Check that the values for qmin and qmax in the input boxes are valid |
---|
| 419 | """ |
---|
| 420 | if self._data is None: |
---|
| 421 | return False |
---|
| 422 | qmin_valid = check_float(self._qmin_input) |
---|
| 423 | qmax1_valid = check_float(self._qmax1_input) |
---|
| 424 | qmax2_valid = check_float(self._qmax2_input) |
---|
| 425 | qmax_valid = qmax1_valid and qmax2_valid |
---|
[b564ea2] | 426 | background_valid = check_float(self._background_input) |
---|
[3901e7c] | 427 | msg = "" |
---|
[b564ea2] | 428 | if (qmin_valid and qmax_valid and background_valid): |
---|
| 429 | qmin = float(self._qmin_input.GetValue()) |
---|
| 430 | qmax1 = float(self._qmax1_input.GetValue()) |
---|
| 431 | qmax2 = float(self._qmax2_input.GetValue()) |
---|
| 432 | background = float(self._background_input.GetValue()) |
---|
| 433 | if not qmin > self._data.x.min(): |
---|
| 434 | msg = "qmin must be greater than the lowest q value" |
---|
| 435 | qmin_valid = False |
---|
| 436 | elif qmax2 < qmax1: |
---|
| 437 | msg = "qmax1 must be less than qmax2" |
---|
| 438 | qmax_valid = False |
---|
| 439 | elif qmin > qmax1: |
---|
| 440 | msg = "qmin must be less than qmax" |
---|
| 441 | qmin_valid = False |
---|
[033c14c] | 442 | elif background > self._data.y.max(): |
---|
| 443 | msg = "background must be less than highest I" |
---|
[b564ea2] | 444 | background_valid = False |
---|
| 445 | if not qmin_valid: |
---|
| 446 | self._qmin_input.SetBackgroundColour('pink') |
---|
| 447 | if not qmax_valid: |
---|
| 448 | self._qmax1_input.SetBackgroundColour('pink') |
---|
| 449 | self._qmax2_input.SetBackgroundColour('pink') |
---|
| 450 | if not background_valid: |
---|
| 451 | self._background_input.SetBackgroundColour('pink') |
---|
| 452 | if msg != "": |
---|
| 453 | wx.PostEvent(self._manager.parent, StatusEvent(status=msg)) |
---|
| 454 | if (qmin_valid and qmax_valid and background_valid): |
---|
[3901e7c] | 455 | self._qmin_input.SetBackgroundColour(wx.WHITE) |
---|
| 456 | self._qmax1_input.SetBackgroundColour(wx.WHITE) |
---|
| 457 | self._qmax2_input.SetBackgroundColour(wx.WHITE) |
---|
[b564ea2] | 458 | self._background_input.SetBackgroundColour(wx.WHITE) |
---|
[3901e7c] | 459 | self._qmin_input.Refresh() |
---|
| 460 | self._qmax1_input.Refresh() |
---|
| 461 | self._qmax2_input.Refresh() |
---|
[f2bbabf] | 462 | self._background_input.Refresh() |
---|
[b564ea2] | 463 | return (qmin_valid and qmax_valid and background_valid) |
---|
[7858575] | 464 | |
---|
[c23f303] | 465 | def _do_layout(self): |
---|
| 466 | """ |
---|
| 467 | Draw the window content |
---|
| 468 | """ |
---|
[7858575] | 469 | vbox = wx.GridBagSizer(0,0) |
---|
| 470 | |
---|
| 471 | # I(q) data box |
---|
[9f7dde3] | 472 | databox = wx.StaticBox(self, -1, "I(Q) Data Source") |
---|
| 473 | databox_sizer = wx.StaticBoxSizer(databox, wx.VERTICAL) |
---|
[7858575] | 474 | |
---|
[9f7dde3] | 475 | file_sizer = wx.GridBagSizer(5, 5) |
---|
[7858575] | 476 | |
---|
[ff11b21] | 477 | y = 0 |
---|
| 478 | |
---|
[7858575] | 479 | file_name_label = wx.StaticText(self, -1, "Name:") |
---|
[9f7dde3] | 480 | file_sizer.Add(file_name_label, (0, 0), (1, 1), |
---|
[7858575] | 481 | wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
---|
| 482 | |
---|
[9f7dde3] | 483 | self._data_name_box = OutputTextCtrl(self, -1, |
---|
| 484 | size=(300,20)) |
---|
| 485 | file_sizer.Add(self._data_name_box, (0, 1), (1, 1), |
---|
| 486 | wx.CENTER | wx.ADJUST_MINSIZE, 15) |
---|
| 487 | |
---|
| 488 | file_sizer.AddSpacer((1, 25), pos=(0,2)) |
---|
| 489 | databox_sizer.Add(file_sizer, wx.TOP, 15) |
---|
| 490 | |
---|
[ff11b21] | 491 | vbox.Add(databox_sizer, (y, 0), (1, 1), |
---|
[9f7dde3] | 492 | wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE | wx.TOP, 15) |
---|
[ff11b21] | 493 | y += 1 |
---|
[9f7dde3] | 494 | |
---|
| 495 | # Parameters |
---|
[d03228e] | 496 | qbox = wx.StaticBox(self, -1, "Input Parameters") |
---|
[9f7dde3] | 497 | qbox_sizer = wx.StaticBoxSizer(qbox, wx.VERTICAL) |
---|
| 498 | qbox_sizer.SetMinSize((_STATICBOX_WIDTH, 75)) |
---|
| 499 | |
---|
| 500 | q_sizer = wx.GridBagSizer(5, 5) |
---|
| 501 | |
---|
| 502 | # Explanation |
---|
| 503 | explanation_txt = ("Corfunc will use all values in the lower range for" |
---|
| 504 | " Guinier back extrapolation, and all values in the upper range " |
---|
| 505 | "for Porod forward extrapolation.") |
---|
| 506 | explanation_label = wx.StaticText(self, -1, explanation_txt, |
---|
| 507 | size=(_STATICBOX_WIDTH, 60)) |
---|
| 508 | |
---|
| 509 | q_sizer.Add(explanation_label, (0,0), (1,4), wx.LEFT | wx.EXPAND, 5) |
---|
| 510 | |
---|
| 511 | qrange_label = wx.StaticText(self, -1, "Q Range:", size=(50,20)) |
---|
[7a219e3e] | 512 | q_sizer.Add(qrange_label, (1,0), (1,1), wx.LEFT | wx.EXPAND, 5) |
---|
[9f7dde3] | 513 | |
---|
| 514 | # Lower Q Range |
---|
| 515 | qmin_label = wx.StaticText(self, -1, "Lower:", size=(50,20)) |
---|
| 516 | qmin_dash_label = wx.StaticText(self, -1, "-", size=(10,20), |
---|
| 517 | style=wx.ALIGN_CENTER_HORIZONTAL) |
---|
| 518 | |
---|
[3560196] | 519 | qmin_lower = OutputTextCtrl(self, -1, size=(75, 20), value="0.0") |
---|
| 520 | self._qmin_input = ModelTextCtrl(self, -1, size=(75, 20), |
---|
[3901e7c] | 521 | style=wx.TE_PROCESS_ENTER, name='qmin_input', |
---|
[b564ea2] | 522 | text_enter_callback=self._on_enter_input) |
---|
[3901e7c] | 523 | self._qmin_input.SetToolTipString(("Values with q < qmin will be used " |
---|
| 524 | "for Guinier back extrapolation")) |
---|
[9f7dde3] | 525 | |
---|
[7a219e3e] | 526 | q_sizer.Add(qmin_label, (2, 0), (1, 1), wx.LEFT | wx.EXPAND, 5) |
---|
| 527 | q_sizer.Add(qmin_lower, (2, 1), (1, 1), wx.LEFT, 5) |
---|
| 528 | q_sizer.Add(qmin_dash_label, (2, 2), (1, 1), wx.CENTER | wx.EXPAND, 5) |
---|
| 529 | q_sizer.Add(self._qmin_input, (2, 3), (1, 1), wx.LEFT, 5) |
---|
[9f7dde3] | 530 | |
---|
| 531 | # Upper Q range |
---|
| 532 | qmax_tooltip = ("Values with qmax1 < q < qmax2 will be used for Porod" |
---|
| 533 | " forward extrapolation") |
---|
| 534 | |
---|
| 535 | qmax_label = wx.StaticText(self, -1, "Upper:", size=(50,20)) |
---|
| 536 | qmax_dash_label = wx.StaticText(self, -1, "-", size=(10,20), |
---|
| 537 | style=wx.ALIGN_CENTER_HORIZONTAL) |
---|
| 538 | |
---|
[3560196] | 539 | self._qmax1_input = ModelTextCtrl(self, -1, size=(75, 20), |
---|
[3901e7c] | 540 | style=wx.TE_PROCESS_ENTER, name="qmax1_input", |
---|
[b564ea2] | 541 | text_enter_callback=self._on_enter_input) |
---|
[3901e7c] | 542 | self._qmax1_input.SetToolTipString(qmax_tooltip) |
---|
[3560196] | 543 | self._qmax2_input = ModelTextCtrl(self, -1, size=(75, 20), |
---|
[3901e7c] | 544 | style=wx.TE_PROCESS_ENTER, name="qmax2_input", |
---|
[b564ea2] | 545 | text_enter_callback=self._on_enter_input) |
---|
[3901e7c] | 546 | self._qmax2_input.SetToolTipString(qmax_tooltip) |
---|
[9f7dde3] | 547 | |
---|
[7a219e3e] | 548 | q_sizer.Add(qmax_label, (3, 0), (1, 1), wx.LEFT | wx.EXPAND, 5) |
---|
| 549 | q_sizer.Add(self._qmax1_input, (3, 1), (1, 1), wx.LEFT, 5) |
---|
| 550 | q_sizer.Add(qmax_dash_label, (3, 2), (1, 1), wx.CENTER | wx.EXPAND, 5) |
---|
| 551 | q_sizer.Add(self._qmax2_input, (3,3), (1, 1), wx.LEFT, 5) |
---|
| 552 | |
---|
[ff11b21] | 553 | qbox_sizer.Add(q_sizer, wx.TOP, 0) |
---|
| 554 | |
---|
| 555 | vbox.Add(qbox_sizer, (y, 0), (1, 1), |
---|
| 556 | wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
---|
| 557 | y += 1 |
---|
| 558 | |
---|
| 559 | extrapolation_box = wx.StaticBox(self, -1, "Extrapolation Parameters") |
---|
| 560 | extrapolation_sizer = wx.StaticBoxSizer(extrapolation_box, wx.VERTICAL) |
---|
| 561 | params_sizer = wx.GridBagSizer(5, 5) |
---|
| 562 | |
---|
| 563 | guinier_label = wx.StaticText(self, -1, "Guinier:") |
---|
| 564 | params_sizer.Add(guinier_label, (0, 0), (1,1), |
---|
| 565 | wx.ALL | wx.EXPAND | wx.ADJUST_MINSIZE, 5) |
---|
| 566 | |
---|
| 567 | a_label = wx.StaticText(self, -1, "A: ") |
---|
| 568 | params_sizer.Add(a_label, (1, 0), (1, 1), wx.LEFT | wx.EXPAND, 15) |
---|
[7a219e3e] | 569 | |
---|
[ff11b21] | 570 | a_output = OutputTextCtrl(self, wx.NewId(), |
---|
| 571 | value="-", style=wx.ALIGN_CENTER_HORIZONTAL) |
---|
| 572 | params_sizer.Add(a_output, (1, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15) |
---|
| 573 | self._extrapolation_outputs['A'] = a_output |
---|
| 574 | |
---|
| 575 | b_label = wx.StaticText(self, -1, "B: ") |
---|
| 576 | params_sizer.Add(b_label, (2, 0), (1, 1), wx.LEFT | wx.EXPAND, 15) |
---|
| 577 | |
---|
| 578 | b_output = OutputTextCtrl(self, wx.NewId(), |
---|
| 579 | value="-", style=wx.ALIGN_CENTER_HORIZONTAL) |
---|
| 580 | params_sizer.Add(b_output, (2, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15) |
---|
| 581 | self._extrapolation_outputs['B'] = b_output |
---|
| 582 | |
---|
| 583 | porod_label = wx.StaticText(self, -1, "Porod: ") |
---|
| 584 | params_sizer.Add(porod_label, (0, 2), (1, 1), |
---|
| 585 | wx.ALL | wx.EXPAND | wx.ADJUST_MINSIZE, 5) |
---|
| 586 | |
---|
| 587 | k_label = wx.StaticText(self, -1, "K: ") |
---|
| 588 | params_sizer.Add(k_label, (1, 2), (1, 1), wx.LEFT | wx.EXPAND, 15) |
---|
| 589 | |
---|
| 590 | k_output = OutputTextCtrl(self, wx.NewId(), |
---|
| 591 | value="-", style=wx.ALIGN_CENTER_HORIZONTAL) |
---|
| 592 | params_sizer.Add(k_output, (1, 3), (1, 1), wx.RIGHT | wx.EXPAND, 15) |
---|
| 593 | self._extrapolation_outputs['K'] = k_output |
---|
| 594 | |
---|
| 595 | sigma_label = wx.StaticText(self, -1, u'\u03C3: ') |
---|
| 596 | params_sizer.Add(sigma_label, (2, 2), (1, 1), wx.LEFT | wx.EXPAND, 15) |
---|
| 597 | |
---|
| 598 | sigma_output = OutputTextCtrl(self, wx.NewId(), |
---|
| 599 | value="-", style=wx.ALIGN_CENTER_HORIZONTAL) |
---|
| 600 | params_sizer.Add(sigma_output, (2, 3), (1, 1), wx.RIGHT | wx.EXPAND, 15) |
---|
| 601 | self._extrapolation_outputs['sigma'] = sigma_output |
---|
| 602 | |
---|
| 603 | bg_label = wx.StaticText(self, -1, "Bg: ") |
---|
| 604 | params_sizer.Add(bg_label, (3, 2), (1, 1), wx.LEFT | wx.EXPAND, 15) |
---|
| 605 | |
---|
[20ced5c] | 606 | self._background_input = ModelTextCtrl(self, -1, value="0.0", |
---|
[ff11b21] | 607 | style=wx.TE_PROCESS_ENTER | wx.TE_CENTRE, name='background_input', |
---|
[7a219e3e] | 608 | text_enter_callback=self._on_enter_input) |
---|
| 609 | self._background_input.SetToolTipString(("A background value to " |
---|
| 610 | "subtract from all intensity values")) |
---|
[ff11b21] | 611 | params_sizer.Add(self._background_input, (3, 3), (1, 1), wx.RIGHT | wx.EXPAND, 15) |
---|
[7a219e3e] | 612 | |
---|
[ff11b21] | 613 | background_button = wx.Button(self, wx.NewId(), "Calculate Bg", |
---|
| 614 | size=(75, -1)) |
---|
[7a219e3e] | 615 | background_button.Bind(wx.EVT_BUTTON, self._compute_background) |
---|
[ff11b21] | 616 | params_sizer.Add(background_button, (4,3), (1, 1), wx.EXPAND | wx.RIGHT, 15) |
---|
[9f7dde3] | 617 | |
---|
[ff11b21] | 618 | extrapolation_sizer.Add(params_sizer) |
---|
| 619 | vbox.Add(extrapolation_sizer, (y, 0), (1, 1), |
---|
[9f7dde3] | 620 | wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
---|
[ff11b21] | 621 | y += 1 |
---|
[9f7dde3] | 622 | |
---|
[d03228e] | 623 | # Transform type |
---|
| 624 | transform_box = wx.StaticBox(self, -1, "Transform Type") |
---|
| 625 | transform_sizer = wx.StaticBoxSizer(transform_box, wx.VERTICAL) |
---|
| 626 | |
---|
| 627 | radio_sizer = wx.GridBagSizer(5,5) |
---|
| 628 | |
---|
| 629 | fourier_btn = wx.RadioButton(self, -1, "Fourier", name='fourier', |
---|
| 630 | style=wx.RB_GROUP) |
---|
| 631 | hilbert_btn = wx.RadioButton(self, -1, "Hilbert", name='hilbert') |
---|
| 632 | |
---|
| 633 | fourier_btn.Bind(wx.EVT_RADIOBUTTON, self.radio_changed) |
---|
| 634 | hilbert_btn.Bind(wx.EVT_RADIOBUTTON, self.radio_changed) |
---|
| 635 | |
---|
| 636 | radio_sizer.Add(fourier_btn, (0,0), (1,1), wx.LEFT | wx.EXPAND) |
---|
| 637 | radio_sizer.Add(hilbert_btn, (0,1), (1,1), wx.RIGHT | wx.EXPAND) |
---|
| 638 | |
---|
| 639 | transform_sizer.Add(radio_sizer, wx.TOP, 0) |
---|
[ff11b21] | 640 | vbox.Add(transform_sizer, (y, 0), (1, 1), |
---|
[d03228e] | 641 | wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
---|
[ff11b21] | 642 | y += 1 |
---|
[d03228e] | 643 | |
---|
[9f7dde3] | 644 | # Output data |
---|
[c512f7d] | 645 | outputbox = wx.StaticBox(self, -1, "Output Parameters") |
---|
[9f7dde3] | 646 | outputbox_sizer = wx.StaticBoxSizer(outputbox, wx.VERTICAL) |
---|
| 647 | |
---|
| 648 | output_sizer = wx.GridBagSizer(5, 5) |
---|
| 649 | |
---|
[033c14c] | 650 | self._output_boxes = dict() |
---|
| 651 | i = 0 |
---|
| 652 | for key, value in OUTPUT_STRINGS.iteritems(): |
---|
[3ec4b8f] | 653 | # Create a label and a text box for each poperty |
---|
[033c14c] | 654 | label = wx.StaticText(self, -1, value) |
---|
| 655 | output_box = OutputTextCtrl(self, wx.NewId(), |
---|
[9f7dde3] | 656 | value="-", style=wx.ALIGN_CENTER_HORIZONTAL) |
---|
[3ec4b8f] | 657 | # Save the ID of each of the text boxes for accessing after the |
---|
| 658 | # output data has been calculated |
---|
[033c14c] | 659 | self._output_boxes[key] = output_box |
---|
[9f7dde3] | 660 | output_sizer.Add(label, (i, 0), (1, 1), wx.LEFT | wx.EXPAND, 15) |
---|
| 661 | output_sizer.Add(output_box, (i, 2), (1, 1), |
---|
| 662 | wx.RIGHT | wx.EXPAND, 15) |
---|
[033c14c] | 663 | i += 1 |
---|
[9f7dde3] | 664 | |
---|
| 665 | outputbox_sizer.Add(output_sizer, wx.TOP, 0) |
---|
| 666 | |
---|
[ff11b21] | 667 | vbox.Add(outputbox_sizer, (y, 0), (1, 1), |
---|
[9f7dde3] | 668 | wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
---|
[ff11b21] | 669 | y += 1 |
---|
[9f7dde3] | 670 | |
---|
[3ec4b8f] | 671 | # Controls |
---|
[9f7dde3] | 672 | controlbox = wx.StaticBox(self, -1, "Controls") |
---|
| 673 | controlbox_sizer = wx.StaticBoxSizer(controlbox, wx.VERTICAL) |
---|
| 674 | |
---|
| 675 | controls_sizer = wx.BoxSizer(wx.VERTICAL) |
---|
| 676 | |
---|
[711e157] | 677 | self._extrapolate_btn = wx.Button(self, wx.NewId(), "Extrapolate") |
---|
[911dbe4] | 678 | self._transform_btn = wx.Button(self, wx.NewId(), "Transform") |
---|
[c512f7d] | 679 | self._extract_btn = wx.Button(self, wx.NewId(), "Compute Parameters") |
---|
[ebfdf4b] | 680 | help_btn = wx.Button(self, -1, "HELP") |
---|
[911dbe4] | 681 | |
---|
| 682 | self._transform_btn.Disable() |
---|
[033c14c] | 683 | self._extract_btn.Disable() |
---|
[9f7dde3] | 684 | |
---|
[711e157] | 685 | self._extrapolate_btn.Bind(wx.EVT_BUTTON, self.compute_extrapolation) |
---|
[911dbe4] | 686 | self._transform_btn.Bind(wx.EVT_BUTTON, self.compute_transform) |
---|
[033c14c] | 687 | self._extract_btn.Bind(wx.EVT_BUTTON, self.extract_parameters) |
---|
[ebfdf4b] | 688 | help_btn.Bind(wx.EVT_BUTTON, self.on_help) |
---|
[3b8efec] | 689 | |
---|
[711e157] | 690 | controls_sizer.Add(self._extrapolate_btn, wx.CENTER | wx.EXPAND) |
---|
[911dbe4] | 691 | controls_sizer.Add(self._transform_btn, wx.CENTER | wx.EXPAND) |
---|
[033c14c] | 692 | controls_sizer.Add(self._extract_btn, wx.CENTER | wx.EXPAND) |
---|
[ebfdf4b] | 693 | controls_sizer.Add(help_btn, wx.CENTER | wx.EXPAND) |
---|
[7858575] | 694 | |
---|
[9f7dde3] | 695 | controlbox_sizer.Add(controls_sizer, wx.TOP | wx.EXPAND, 0) |
---|
[ff11b21] | 696 | vbox.Add(controlbox_sizer, (y, 0), (1, 1), |
---|
[9f7dde3] | 697 | wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) |
---|
[7858575] | 698 | |
---|
[ebfdf4b] | 699 | |
---|
[7858575] | 700 | self.SetSizer(vbox) |
---|
[54a0989] | 701 | |
---|
| 702 | def _disable_inputs(self): |
---|
[6970e51] | 703 | """ |
---|
| 704 | Disable all input fields |
---|
| 705 | """ |
---|
[54a0989] | 706 | self._qmin_input.Disable() |
---|
| 707 | self._qmax1_input.Disable() |
---|
| 708 | self._qmax2_input.Disable() |
---|
| 709 | self._background_input.Disable() |
---|
[711e157] | 710 | self._extrapolate_btn.Disable() |
---|
[54a0989] | 711 | |
---|
| 712 | def _enable_inputs(self): |
---|
[6970e51] | 713 | """ |
---|
| 714 | Enable all input fields |
---|
| 715 | """ |
---|
[54a0989] | 716 | self._qmin_input.Enable() |
---|
| 717 | self._qmax1_input.Enable() |
---|
| 718 | self._qmax2_input.Enable() |
---|
| 719 | self._background_input.Enable() |
---|
[711e157] | 720 | self._extrapolate_btn.Enable() |
---|
[e73e723] | 721 | |
---|
| 722 | def _round_sig_figs(self, x, sigfigs): |
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| 723 | """ |
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| 724 | Round a number to a given number of significant figures. |
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| 725 | |
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| 726 | :param x: The value to round |
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| 727 | :param sigfigs: How many significant figures to round to |
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| 728 | :return rounded_str: x rounded to the given number of significant |
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| 729 | figures, as a string |
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| 730 | """ |
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[e8418bb] | 731 | rounded_str = "" |
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| 732 | try: |
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| 733 | # Index of first significant digit |
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| 734 | significant_digit = -int(np.floor(np.log10(np.abs(x)))) |
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[ff11b21] | 735 | |
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| 736 | if np.abs(significant_digit > 4): |
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| 737 | # Use scientific notation if x > 1e5 or x < 1e4 |
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| 738 | rounded_str = "{1:.{0}E}".format(sigfigs-1, x) |
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| 739 | else: |
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| 740 | # Format as a standard decimal |
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| 741 | # Number of digits required for correct number of sig figs |
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| 742 | digits = significant_digit + (sigfigs - 1) |
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| 743 | rounded = np.round(x, decimals=digits) |
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| 744 | rounded_str = "{1:.{0}f}".format(sigfigs -1 + significant_digit, |
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| 745 | rounded) |
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[e8418bb] | 746 | except: |
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| 747 | # Method for finding significant_digit fails if x is 0 (since log10(0)=inf) |
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| 748 | if x == 0.0: |
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| 749 | rounded_str = "0.0" |
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| 750 | else: |
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| 751 | rounded_str = "-" |
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| 752 | |
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[e73e723] | 753 | return rounded_str |
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