[959eb01] | 1 | """ |
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| 2 | P(r) perspective for SasView |
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| 3 | """ |
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| 4 | ################################################################################ |
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| 5 | #This software was developed by the University of Tennessee as part of the |
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| 6 | #Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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| 7 | #project funded by the US National Science Foundation. |
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| 8 | # |
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| 9 | #See the license text in license.txt |
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| 10 | # |
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| 11 | #copyright 2009, University of Tennessee |
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| 12 | ################################################################################ |
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| 13 | |
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| 14 | |
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| 15 | # Make sure the option of saving each curve is available |
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| 16 | # Use the I(q) curve as input and compare the output to P(r) |
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[fa81e94] | 17 | |
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[959eb01] | 18 | |
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| 19 | import sys |
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| 20 | import wx |
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| 21 | import logging |
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| 22 | import time |
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| 23 | import math |
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| 24 | import numpy as np |
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| 25 | import pylab |
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| 26 | from sas.sasgui.guiframe.gui_manager import MDIFrame |
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| 27 | from sas.sasgui.guiframe.dataFitting import Data1D |
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| 28 | from sas.sasgui.guiframe.events import NewPlotEvent |
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| 29 | from sas.sasgui.guiframe.events import StatusEvent |
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| 30 | from sas.sasgui.guiframe.gui_style import GUIFRAME_ID |
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| 31 | from sas.sascalc.pr.invertor import Invertor |
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| 32 | from sas.sascalc.dataloader.loader import Loader |
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| 33 | import sas.sascalc.dataloader |
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| 34 | |
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[fa81e94] | 35 | from .pr_widgets import load_error |
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[959eb01] | 36 | from sas.sasgui.guiframe.plugin_base import PluginBase |
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| 37 | |
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| 38 | logger = logging.getLogger(__name__) |
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| 39 | |
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| 40 | |
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| 41 | PR_FIT_LABEL = r"$P_{fit}(r)$" |
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| 42 | PR_LOADED_LABEL = r"$P_{loaded}(r)$" |
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| 43 | IQ_DATA_LABEL = r"$I_{obs}(q)$" |
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| 44 | IQ_FIT_LABEL = r"$I_{fit}(q)$" |
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| 45 | IQ_SMEARED_LABEL = r"$I_{smeared}(q)$" |
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| 46 | GROUP_ID_IQ_DATA = r"$I_{obs}(q)$" |
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| 47 | GROUP_ID_PR_FIT = r"$P_{fit}(r)$" |
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| 48 | |
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| 49 | |
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| 50 | |
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| 51 | class Plugin(PluginBase): |
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| 52 | """ |
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| 53 | P(r) inversion perspective |
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| 54 | """ |
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| 55 | DEFAULT_ALPHA = 0.0001 |
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| 56 | DEFAULT_NFUNC = 10 |
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| 57 | DEFAULT_DMAX = 140.0 |
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| 58 | |
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| 59 | def __init__(self): |
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| 60 | PluginBase.__init__(self, name="Pr Inversion") |
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| 61 | ## Simulation window manager |
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| 62 | self.simview = None |
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| 63 | |
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| 64 | ## State data |
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| 65 | self.alpha = self.DEFAULT_ALPHA |
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| 66 | self.nfunc = self.DEFAULT_NFUNC |
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| 67 | self.max_length = self.DEFAULT_DMAX |
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| 68 | self.q_min = None |
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| 69 | self.q_max = None |
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[cb62bd5] | 70 | self.est_bck = False |
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| 71 | self.bck_val = 0 |
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[959eb01] | 72 | self.slit_height = 0 |
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| 73 | self.slit_width = 0 |
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| 74 | ## Remember last plottable processed |
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| 75 | self.last_data = "" |
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| 76 | self._current_file_data = None |
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| 77 | ## Time elapsed for last computation [sec] |
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| 78 | # Start with a good default |
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| 79 | self.elapsed = 0.022 |
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| 80 | self.iq_data_shown = False |
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| 81 | |
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| 82 | ## Current invertor |
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| 83 | self.invertor = None |
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| 84 | self.pr = None |
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| 85 | self.data_id = IQ_DATA_LABEL |
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| 86 | # Copy of the last result in case we need to display it. |
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| 87 | self._last_pr = None |
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| 88 | self._last_out = None |
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| 89 | self._last_cov = None |
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| 90 | ## Calculation thread |
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| 91 | self.calc_thread = None |
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| 92 | ## Estimation thread |
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| 93 | self.estimation_thread = None |
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| 94 | ## Result panel |
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| 95 | self.control_panel = None |
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| 96 | ## Currently views plottable |
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| 97 | self.current_plottable = None |
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| 98 | ## Number of P(r) points to display on the output plot |
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| 99 | self._pr_npts = 51 |
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| 100 | self._normalize_output = False |
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| 101 | self._scale_output_unity = False |
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| 102 | |
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| 103 | ## List of added P(r) plots |
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| 104 | self._added_plots = {} |
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| 105 | self._default_Iq = {} |
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| 106 | self.list_plot_id = [] |
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| 107 | |
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| 108 | # Associate the inversion state reader with .prv files |
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[fa81e94] | 109 | from .inversion_state import Reader |
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[959eb01] | 110 | |
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| 111 | # Create a CanSAS/Pr reader |
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| 112 | self.state_reader = Reader(self.set_state) |
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| 113 | self._extensions = '.prv' |
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| 114 | l = Loader() |
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| 115 | l.associate_file_reader('.prv', self.state_reader) |
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| 116 | #l.associate_file_reader(".svs", self.state_reader) |
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| 117 | |
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| 118 | # Log startup |
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| 119 | logger.info("Pr(r) plug-in started") |
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| 120 | |
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| 121 | def delete_data(self, data_id): |
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| 122 | """ |
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| 123 | delete the data association with prview |
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| 124 | """ |
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| 125 | self.control_panel.clear_panel() |
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| 126 | |
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| 127 | def get_data(self): |
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| 128 | """ |
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| 129 | Returns the current data |
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| 130 | """ |
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| 131 | return self.current_plottable |
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| 132 | |
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| 133 | def set_state(self, state=None, datainfo=None): |
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| 134 | """ |
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| 135 | Call-back method for the inversion state reader. |
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| 136 | This method is called when a .prv file is loaded. |
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| 137 | |
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| 138 | :param state: InversionState object |
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| 139 | :param datainfo: Data1D object [optional] |
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| 140 | |
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| 141 | """ |
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| 142 | try: |
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| 143 | if datainfo.__class__.__name__ == 'list': |
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| 144 | if len(datainfo) >= 1: |
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| 145 | data = datainfo[0] |
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| 146 | else: |
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| 147 | data = None |
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| 148 | else: |
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| 149 | data = datainfo |
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| 150 | if data is None: |
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| 151 | msg = "Pr.set_state: datainfo parameter cannot " |
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| 152 | msg += "be None in standalone mode" |
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[fa81e94] | 153 | raise RuntimeError(msg) |
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[959eb01] | 154 | |
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| 155 | # Ensuring that plots are coordinated correctly |
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| 156 | t = time.localtime(data.meta_data['prstate'].timestamp) |
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| 157 | time_str = time.strftime("%b %d %H:%M", t) |
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| 158 | |
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| 159 | # Check that no time stamp is already appended |
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| 160 | max_char = data.meta_data['prstate'].file.find("[") |
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| 161 | if max_char < 0: |
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| 162 | max_char = len(data.meta_data['prstate'].file) |
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| 163 | |
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| 164 | datainfo.meta_data['prstate'].file = \ |
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| 165 | data.meta_data['prstate'].file[0:max_char]\ |
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| 166 | + ' [' + time_str + ']' |
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| 167 | |
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| 168 | data.filename = data.meta_data['prstate'].file |
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| 169 | # TODO: |
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| 170 | #remove this call when state save all information about the gui data |
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| 171 | # such as ID , Group_ID, etc... |
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| 172 | #make self.current_plottable = datainfo directly |
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| 173 | self.current_plottable = self.parent.create_gui_data(data, None) |
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| 174 | self.current_plottable.group_id = data.meta_data['prstate'].file |
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| 175 | |
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| 176 | # Make sure the user sees the P(r) panel after loading |
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| 177 | #self.parent.set_perspective(self.perspective) |
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| 178 | self.on_perspective(event=None) |
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| 179 | # Load the P(r) results |
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| 180 | #state = self.state_reader.get_state() |
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| 181 | data_dict = {self.current_plottable.id:self.current_plottable} |
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| 182 | self.parent.add_data(data_list=data_dict) |
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| 183 | wx.PostEvent(self.parent, NewPlotEvent(plot=self.current_plottable, |
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| 184 | title=self.current_plottable.title)) |
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| 185 | self.control_panel.set_state(state) |
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| 186 | except: |
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[fa81e94] | 187 | logger.error("prview.set_state: %s" % sys.exc_info()[1]) |
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[959eb01] | 188 | |
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| 189 | |
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| 190 | def help(self, evt): |
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| 191 | """ |
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| 192 | Show a general help dialog. |
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| 193 | |
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| 194 | :TODO: replace the text with a nice image |
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| 195 | |
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| 196 | """ |
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[fa81e94] | 197 | from .inversion_panel import HelpDialog |
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[959eb01] | 198 | dialog = HelpDialog(None, -1) |
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| 199 | if dialog.ShowModal() == wx.ID_OK: |
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| 200 | dialog.Destroy() |
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| 201 | else: |
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| 202 | dialog.Destroy() |
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| 203 | |
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| 204 | def _fit_pr(self, evt): |
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| 205 | """ |
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| 206 | """ |
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| 207 | # Generate P(r) for sphere |
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| 208 | radius = 60.0 |
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| 209 | d_max = 2 * radius |
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| 210 | |
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| 211 | r = pylab.arange(0.01, d_max, d_max / 51.0) |
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| 212 | M = len(r) |
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| 213 | y = np.zeros(M) |
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| 214 | pr_err = np.zeros(M) |
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| 215 | |
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| 216 | total = 0.0 |
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| 217 | for j in range(M): |
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| 218 | value = self.pr_theory(r[j], radius) |
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| 219 | total += value |
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| 220 | y[j] = value |
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| 221 | pr_err[j] = math.sqrt(y[j]) |
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| 222 | |
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| 223 | y = y / total * d_max / len(r) |
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| 224 | |
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| 225 | # Perform fit |
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| 226 | pr = Invertor() |
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| 227 | pr.d_max = d_max |
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| 228 | pr.alpha = 0 |
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| 229 | pr.x = r |
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| 230 | pr.y = y |
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| 231 | pr.err = pr_err |
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| 232 | out, cov = pr.pr_fit() |
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| 233 | for i in range(len(out)): |
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[9c3d784] | 234 | print("%g +- %g" % (out[i], math.sqrt(cov[i][i]))) |
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[959eb01] | 235 | |
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| 236 | # Show input P(r) |
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| 237 | title = "Pr" |
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| 238 | new_plot = Data1D(pr.x, pr.y, dy=pr.err) |
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| 239 | new_plot.name = "P_{obs}(r)" |
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| 240 | new_plot.xaxis("\\rm{r}", 'A') |
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| 241 | new_plot.yaxis("\\rm{P(r)} ", "cm^{-3}") |
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| 242 | new_plot.group_id = "P_{obs}(r)" |
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| 243 | new_plot.id = "P_{obs}(r)" |
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| 244 | new_plot.title = title |
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| 245 | self.parent.update_theory(data_id=self.data_id, theory=new_plot) |
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| 246 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title)) |
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| 247 | |
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| 248 | # Show P(r) fit |
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| 249 | self.show_pr(out, pr) |
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| 250 | |
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| 251 | # Show I(q) fit |
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| 252 | q = pylab.arange(0.001, 0.1, 0.01 / 51.0) |
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| 253 | self.show_iq(out, pr, q) |
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| 254 | |
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| 255 | def show_shpere(self, x, radius=70.0, x_range=70.0): |
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| 256 | """ |
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| 257 | """ |
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| 258 | # Show P(r) |
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| 259 | y_true = np.zeros(len(x)) |
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| 260 | |
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| 261 | sum_true = 0.0 |
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| 262 | for i in range(len(x)): |
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| 263 | y_true[i] = self.pr_theory(x[i], radius) |
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| 264 | sum_true += y_true[i] |
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| 265 | |
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| 266 | y_true = y_true / sum_true * x_range / len(x) |
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| 267 | |
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| 268 | # Show the theory P(r) |
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| 269 | new_plot = Data1D(x, y_true) |
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| 270 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
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| 271 | new_plot.name = "P_{true}(r)" |
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| 272 | new_plot.xaxis("\\rm{r}", 'A') |
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| 273 | new_plot.yaxis("\\rm{P(r)} ", "cm^{-3}") |
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| 274 | new_plot.id = "P_{true}(r)" |
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| 275 | new_plot.group_id = "P_{true}(r)" |
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| 276 | self.parent.update_theory(data_id=self.data_id, theory=new_plot) |
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| 277 | #Put this call in plottables/guitools |
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| 278 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, |
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| 279 | title="Sphere P(r)")) |
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| 280 | |
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| 281 | def get_npts(self): |
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| 282 | """ |
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| 283 | Returns the number of points in the I(q) data |
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| 284 | """ |
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| 285 | try: |
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| 286 | return len(self.pr.x) |
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| 287 | except: |
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| 288 | return 0 |
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| 289 | |
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| 290 | def show_iq(self, out, pr, q=None): |
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| 291 | """ |
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| 292 | Display computed I(q) |
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| 293 | """ |
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| 294 | qtemp = pr.x |
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[ac07a3a] | 295 | if q is not None: |
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[959eb01] | 296 | qtemp = q |
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| 297 | |
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| 298 | # Make a plot |
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| 299 | maxq = -1 |
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| 300 | for q_i in qtemp: |
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| 301 | if q_i > maxq: |
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| 302 | maxq = q_i |
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| 303 | |
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| 304 | minq = 0.001 |
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| 305 | |
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| 306 | # Check for user min/max |
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[ac07a3a] | 307 | if pr.q_min is not None: |
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[959eb01] | 308 | minq = pr.q_min |
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[ac07a3a] | 309 | if pr.q_max is not None: |
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[959eb01] | 310 | maxq = pr.q_max |
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| 311 | |
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| 312 | x = pylab.arange(minq, maxq, maxq / 301.0) |
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| 313 | y = np.zeros(len(x)) |
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| 314 | err = np.zeros(len(x)) |
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| 315 | for i in range(len(x)): |
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| 316 | value = pr.iq(out, x[i]) |
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| 317 | y[i] = value |
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| 318 | try: |
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| 319 | err[i] = math.sqrt(math.fabs(value)) |
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| 320 | except: |
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| 321 | err[i] = 1.0 |
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[9c3d784] | 322 | print("Error getting error", value, x[i]) |
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[959eb01] | 323 | |
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| 324 | new_plot = Data1D(x, y) |
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| 325 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
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| 326 | new_plot.name = IQ_FIT_LABEL |
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| 327 | new_plot.xaxis("\\rm{Q}", 'A^{-1}') |
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| 328 | new_plot.yaxis("\\rm{Intensity} ", "cm^{-1}") |
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| 329 | title = "I(q)" |
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| 330 | new_plot.title = title |
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| 331 | |
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| 332 | # If we have a group ID, use it |
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| 333 | if 'plot_group_id' in pr.info: |
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| 334 | new_plot.group_id = pr.info["plot_group_id"] |
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| 335 | new_plot.id = IQ_FIT_LABEL |
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| 336 | self.parent.update_theory(data_id=self.data_id, theory=new_plot) |
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| 337 | |
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| 338 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title)) |
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| 339 | |
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| 340 | # If we have used slit smearing, plot the smeared I(q) too |
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| 341 | if pr.slit_width > 0 or pr.slit_height > 0: |
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| 342 | x = pylab.arange(minq, maxq, maxq / 301.0) |
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| 343 | y = np.zeros(len(x)) |
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| 344 | err = np.zeros(len(x)) |
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| 345 | for i in range(len(x)): |
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| 346 | value = pr.iq_smeared(out, x[i]) |
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| 347 | y[i] = value |
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| 348 | try: |
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| 349 | err[i] = math.sqrt(math.fabs(value)) |
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| 350 | except: |
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| 351 | err[i] = 1.0 |
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| 352 | print("Error getting error", value, x[i]) |
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| 353 | |
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| 354 | new_plot = Data1D(x, y) |
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| 355 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
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| 356 | new_plot.name = IQ_SMEARED_LABEL |
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| 357 | new_plot.xaxis("\\rm{Q}", 'A^{-1}') |
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| 358 | new_plot.yaxis("\\rm{Intensity} ", "cm^{-1}") |
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| 359 | # If we have a group ID, use it |
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| 360 | if 'plot_group_id' in pr.info: |
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| 361 | new_plot.group_id = pr.info["plot_group_id"] |
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| 362 | new_plot.id = IQ_SMEARED_LABEL |
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| 363 | new_plot.title = title |
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| 364 | self.parent.update_theory(data_id=self.data_id, theory=new_plot) |
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| 365 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title)) |
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| 366 | |
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| 367 | def _on_pr_npts(self, evt): |
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| 368 | """ |
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| 369 | Redisplay P(r) with a different number of points |
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| 370 | """ |
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[fa81e94] | 371 | from .inversion_panel import PrDistDialog |
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[959eb01] | 372 | dialog = PrDistDialog(None, -1) |
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| 373 | dialog.set_content(self._pr_npts) |
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| 374 | if dialog.ShowModal() == wx.ID_OK: |
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| 375 | self._pr_npts = dialog.get_content() |
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| 376 | dialog.Destroy() |
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| 377 | self.show_pr(self._last_out, self._last_pr, self._last_cov) |
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| 378 | else: |
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| 379 | dialog.Destroy() |
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| 380 | |
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| 381 | |
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| 382 | def show_pr(self, out, pr, cov=None): |
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| 383 | """ |
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| 384 | """ |
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| 385 | # Show P(r) |
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| 386 | x = pylab.arange(0.0, pr.d_max, pr.d_max / self._pr_npts) |
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| 387 | |
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| 388 | y = np.zeros(len(x)) |
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| 389 | dy = np.zeros(len(x)) |
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| 390 | y_true = np.zeros(len(x)) |
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| 391 | |
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| 392 | total = 0.0 |
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| 393 | pmax = 0.0 |
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| 394 | cov2 = np.ascontiguousarray(cov) |
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| 395 | |
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| 396 | for i in range(len(x)): |
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[235f514] | 397 | if cov2 is None: |
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[959eb01] | 398 | value = pr.pr(out, x[i]) |
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| 399 | else: |
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| 400 | (value, dy[i]) = pr.pr_err(out, cov2, x[i]) |
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| 401 | total += value * pr.d_max / len(x) |
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| 402 | |
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| 403 | # keep track of the maximum P(r) value |
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| 404 | if value > pmax: |
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| 405 | pmax = value |
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| 406 | |
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| 407 | y[i] = value |
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| 408 | |
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| 409 | if self._normalize_output == True: |
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| 410 | y = y / total |
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| 411 | dy = dy / total |
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| 412 | elif self._scale_output_unity == True: |
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| 413 | y = y / pmax |
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| 414 | dy = dy / pmax |
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| 415 | |
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[235f514] | 416 | if cov2 is None: |
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[959eb01] | 417 | new_plot = Data1D(x, y) |
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| 418 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
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| 419 | else: |
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| 420 | new_plot = Data1D(x, y, dy=dy) |
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| 421 | new_plot.name = PR_FIT_LABEL |
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| 422 | new_plot.xaxis("\\rm{r}", 'A') |
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| 423 | new_plot.yaxis("\\rm{P(r)} ", "cm^{-3}") |
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| 424 | new_plot.title = "P(r) fit" |
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| 425 | new_plot.id = PR_FIT_LABEL |
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| 426 | # Make sure that the plot is linear |
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| 427 | new_plot.xtransform = "x" |
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| 428 | new_plot.ytransform = "y" |
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| 429 | new_plot.group_id = GROUP_ID_PR_FIT |
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| 430 | self.parent.update_theory(data_id=self.data_id, theory=new_plot) |
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| 431 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="P(r) fit")) |
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| 432 | return x, pr.d_max |
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| 433 | |
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| 434 | def load(self, data): |
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| 435 | """ |
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| 436 | Load data. This will eventually be replaced |
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| 437 | by our standard DataLoader class. |
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| 438 | """ |
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| 439 | class FileData(object): |
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| 440 | x = None |
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| 441 | y = None |
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| 442 | err = None |
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| 443 | path = None |
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| 444 | |
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| 445 | def __init__(self, path): |
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| 446 | self.path = path |
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| 447 | |
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| 448 | self._current_file_data = FileData(data.path) |
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| 449 | |
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| 450 | # Use data loader to load file |
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| 451 | dataread = data |
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| 452 | # Notify the user if we could not read the file |
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| 453 | if dataread is None: |
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[fa81e94] | 454 | raise RuntimeError("Invalid data") |
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[959eb01] | 455 | |
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| 456 | x = None |
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| 457 | y = None |
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| 458 | err = None |
---|
| 459 | if dataread.__class__.__name__ == 'Data1D': |
---|
| 460 | x = dataread.x |
---|
| 461 | y = dataread.y |
---|
| 462 | err = dataread.dy |
---|
| 463 | else: |
---|
| 464 | if isinstance(dataread, list) and len(dataread) > 0: |
---|
| 465 | x = dataread[0].x |
---|
| 466 | y = dataread[0].y |
---|
| 467 | err = dataread[0].dy |
---|
| 468 | msg = "PrView only allows a single data set at a time. " |
---|
| 469 | msg += "Only the first data set was loaded." |
---|
| 470 | wx.PostEvent(self.parent, StatusEvent(status=msg)) |
---|
| 471 | else: |
---|
| 472 | if dataread is None: |
---|
| 473 | return x, y, err |
---|
[fa81e94] | 474 | raise RuntimeError("This tool can only read 1D data") |
---|
[959eb01] | 475 | |
---|
| 476 | self._current_file_data.x = x |
---|
| 477 | self._current_file_data.y = y |
---|
| 478 | self._current_file_data.err = err |
---|
| 479 | return x, y, err |
---|
| 480 | |
---|
| 481 | def load_columns(self, path="sphere_60_q0_2.txt"): |
---|
| 482 | """ |
---|
| 483 | Load 2- or 3- column ascii |
---|
| 484 | """ |
---|
| 485 | # Read the data from the data file |
---|
| 486 | data_x = np.zeros(0) |
---|
| 487 | data_y = np.zeros(0) |
---|
| 488 | data_err = np.zeros(0) |
---|
| 489 | scale = None |
---|
| 490 | min_err = 0.0 |
---|
[ac07a3a] | 491 | if path is not None: |
---|
[959eb01] | 492 | input_f = open(path, 'r') |
---|
| 493 | buff = input_f.read() |
---|
| 494 | lines = buff.split('\n') |
---|
| 495 | for line in lines: |
---|
| 496 | try: |
---|
| 497 | toks = line.split() |
---|
| 498 | x = float(toks[0]) |
---|
| 499 | y = float(toks[1]) |
---|
| 500 | if len(toks) > 2: |
---|
| 501 | err = float(toks[2]) |
---|
| 502 | else: |
---|
[235f514] | 503 | if scale is None: |
---|
[959eb01] | 504 | scale = 0.05 * math.sqrt(y) |
---|
| 505 | #scale = 0.05/math.sqrt(y) |
---|
| 506 | min_err = 0.01 * y |
---|
| 507 | err = scale * math.sqrt(y) + min_err |
---|
| 508 | #err = 0 |
---|
| 509 | |
---|
| 510 | data_x = np.append(data_x, x) |
---|
| 511 | data_y = np.append(data_y, y) |
---|
| 512 | data_err = np.append(data_err, err) |
---|
| 513 | except: |
---|
[fa81e94] | 514 | logger.error(sys.exc_info()[1]) |
---|
[959eb01] | 515 | |
---|
[ac07a3a] | 516 | if scale is not None: |
---|
[959eb01] | 517 | message = "The loaded file had no error bars, statistical errors are assumed." |
---|
| 518 | wx.PostEvent(self.parent, StatusEvent(status=message)) |
---|
| 519 | else: |
---|
| 520 | wx.PostEvent(self.parent, StatusEvent(status='')) |
---|
| 521 | |
---|
| 522 | return data_x, data_y, data_err |
---|
| 523 | |
---|
| 524 | def load_abs(self, path): |
---|
| 525 | """ |
---|
| 526 | Load an IGOR .ABS reduced file |
---|
| 527 | |
---|
| 528 | :param path: file path |
---|
| 529 | |
---|
| 530 | :return: x, y, err vectors |
---|
| 531 | |
---|
| 532 | """ |
---|
| 533 | # Read the data from the data file |
---|
| 534 | data_x = np.zeros(0) |
---|
| 535 | data_y = np.zeros(0) |
---|
| 536 | data_err = np.zeros(0) |
---|
| 537 | scale = None |
---|
| 538 | min_err = 0.0 |
---|
| 539 | |
---|
| 540 | data_started = False |
---|
[ac07a3a] | 541 | if path is not None: |
---|
[959eb01] | 542 | input_f = open(path, 'r') |
---|
| 543 | buff = input_f.read() |
---|
| 544 | lines = buff.split('\n') |
---|
| 545 | for line in lines: |
---|
| 546 | if data_started == True: |
---|
| 547 | try: |
---|
| 548 | toks = line.split() |
---|
| 549 | x = float(toks[0]) |
---|
| 550 | y = float(toks[1]) |
---|
| 551 | if len(toks) > 2: |
---|
| 552 | err = float(toks[2]) |
---|
| 553 | else: |
---|
[235f514] | 554 | if scale is None: |
---|
[959eb01] | 555 | scale = 0.05 * math.sqrt(y) |
---|
| 556 | #scale = 0.05/math.sqrt(y) |
---|
| 557 | min_err = 0.01 * y |
---|
| 558 | err = scale * math.sqrt(y) + min_err |
---|
| 559 | #err = 0 |
---|
| 560 | |
---|
| 561 | data_x = np.append(data_x, x) |
---|
| 562 | data_y = np.append(data_y, y) |
---|
| 563 | data_err = np.append(data_err, err) |
---|
| 564 | except: |
---|
[fa81e94] | 565 | logger.error(sys.exc_info()[1]) |
---|
[959eb01] | 566 | elif line.find("The 6 columns") >= 0: |
---|
| 567 | data_started = True |
---|
| 568 | |
---|
[ac07a3a] | 569 | if scale is not None: |
---|
[959eb01] | 570 | message = "The loaded file had no error bars, statistical errors are assumed." |
---|
| 571 | wx.PostEvent(self.parent, StatusEvent(status=message)) |
---|
| 572 | else: |
---|
| 573 | wx.PostEvent(self.parent, StatusEvent(status='')) |
---|
| 574 | |
---|
| 575 | return data_x, data_y, data_err |
---|
| 576 | |
---|
| 577 | def pr_theory(self, r, R): |
---|
| 578 | """ |
---|
| 579 | Return P(r) of a sphere for a given R |
---|
| 580 | For test purposes |
---|
| 581 | """ |
---|
| 582 | if r <= 2 * R: |
---|
| 583 | return 12.0 * ((0.5 * r / R) ** 2) * ((1.0 - 0.5 * r / R) ** 2) * (2.0 + 0.5 * r / R) |
---|
| 584 | else: |
---|
| 585 | return 0.0 |
---|
| 586 | |
---|
| 587 | def get_context_menu(self, plotpanel=None): |
---|
| 588 | """ |
---|
| 589 | Get the context menu items available for P(r) |
---|
| 590 | |
---|
| 591 | :param graph: the Graph object to which we attach the context menu |
---|
| 592 | |
---|
| 593 | :return: a list of menu items with call-back function |
---|
| 594 | |
---|
| 595 | """ |
---|
| 596 | graph = plotpanel.graph |
---|
| 597 | # Look whether this Graph contains P(r) data |
---|
| 598 | if graph.selected_plottable not in plotpanel.plots: |
---|
| 599 | return [] |
---|
| 600 | item = plotpanel.plots[graph.selected_plottable] |
---|
| 601 | if item.id == PR_FIT_LABEL: |
---|
| 602 | #add_data_hint = "Load a data file and display it on this plot" |
---|
| 603 | #["Add P(r) data",add_data_hint , self._on_add_data], |
---|
| 604 | change_n_hint = "Change the number of" |
---|
| 605 | change_n_hint += " points on the P(r) output" |
---|
| 606 | change_n_label = "Change number of P(r) points" |
---|
| 607 | m_list = [[change_n_label, change_n_hint, self._on_pr_npts]] |
---|
| 608 | |
---|
| 609 | if self._scale_output_unity or self._normalize_output: |
---|
| 610 | hint = "Let the output P(r) keep the scale of the data" |
---|
| 611 | m_list.append(["Disable P(r) scaling", hint, |
---|
| 612 | self._on_disable_scaling]) |
---|
| 613 | if not self._scale_output_unity: |
---|
| 614 | m_list.append(["Scale P_max(r) to unity", |
---|
| 615 | "Scale P(r) so that its maximum is 1", |
---|
| 616 | self._on_scale_unity]) |
---|
| 617 | if not self._normalize_output: |
---|
| 618 | m_list.append(["Normalize P(r) to unity", |
---|
| 619 | "Normalize the integral of P(r) to 1", |
---|
| 620 | self._on_normalize]) |
---|
| 621 | |
---|
| 622 | return m_list |
---|
| 623 | |
---|
| 624 | elif item.id in [PR_LOADED_LABEL, IQ_DATA_LABEL, IQ_FIT_LABEL, IQ_SMEARED_LABEL]: |
---|
| 625 | return [] |
---|
| 626 | elif item.id == graph.selected_plottable: |
---|
| 627 | if issubclass(item.__class__, Data1D): |
---|
| 628 | return [["Compute P(r)", |
---|
| 629 | "Compute P(r) from distribution", |
---|
| 630 | self._on_context_inversion]] |
---|
| 631 | return [] |
---|
| 632 | |
---|
| 633 | def _on_disable_scaling(self, evt): |
---|
| 634 | """ |
---|
| 635 | Disable P(r) scaling |
---|
| 636 | |
---|
| 637 | :param evt: Menu event |
---|
| 638 | |
---|
| 639 | """ |
---|
| 640 | self._normalize_output = False |
---|
| 641 | self._scale_output_unity = False |
---|
| 642 | self.show_pr(self._last_out, self._last_pr, self._last_cov) |
---|
| 643 | |
---|
| 644 | # Now replot the original added data |
---|
| 645 | for plot in self._added_plots: |
---|
| 646 | self._added_plots[plot].y = np.copy(self._default_Iq[plot]) |
---|
| 647 | wx.PostEvent(self.parent, |
---|
| 648 | NewPlotEvent(plot=self._added_plots[plot], |
---|
| 649 | title=self._added_plots[plot].name, |
---|
| 650 | update=True)) |
---|
| 651 | |
---|
| 652 | # Need the update flag in the NewPlotEvent to protect against |
---|
| 653 | # the plot no longer being there... |
---|
| 654 | |
---|
| 655 | def _on_normalize(self, evt): |
---|
| 656 | """ |
---|
| 657 | Normalize the area under the P(r) curve to 1. |
---|
| 658 | This operation is done for all displayed plots. |
---|
| 659 | |
---|
| 660 | :param evt: Menu event |
---|
| 661 | |
---|
| 662 | """ |
---|
| 663 | self._normalize_output = True |
---|
| 664 | self._scale_output_unity = False |
---|
| 665 | |
---|
| 666 | self.show_pr(self._last_out, self._last_pr, self._last_cov) |
---|
| 667 | |
---|
| 668 | # Now scale the added plots too |
---|
| 669 | for plot in self._added_plots: |
---|
| 670 | total = np.sum(self._added_plots[plot].y) |
---|
| 671 | npts = len(self._added_plots[plot].x) |
---|
| 672 | total *= self._added_plots[plot].x[npts - 1] / npts |
---|
| 673 | y = self._added_plots[plot].y / total |
---|
| 674 | |
---|
| 675 | new_plot = Data1D(self._added_plots[plot].x, y) |
---|
| 676 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
---|
| 677 | new_plot.group_id = self._added_plots[plot].group_id |
---|
| 678 | new_plot.id = self._added_plots[plot].id |
---|
| 679 | new_plot.title = self._added_plots[plot].title |
---|
| 680 | new_plot.name = self._added_plots[plot].name |
---|
| 681 | new_plot.xaxis("\\rm{r}", 'A') |
---|
| 682 | new_plot.yaxis("\\rm{P(r)} ", "cm^{-3}") |
---|
| 683 | self.parent.update_theory(data_id=self.data_id, theory=new_plot) |
---|
| 684 | wx.PostEvent(self.parent, |
---|
| 685 | NewPlotEvent(plot=new_plot, update=True, |
---|
| 686 | title=self._added_plots[plot].name)) |
---|
| 687 | |
---|
| 688 | def _on_scale_unity(self, evt): |
---|
| 689 | """ |
---|
| 690 | Scale the maximum P(r) value on each displayed plot to 1. |
---|
| 691 | |
---|
| 692 | :param evt: Menu event |
---|
| 693 | |
---|
| 694 | """ |
---|
| 695 | self._scale_output_unity = True |
---|
| 696 | self._normalize_output = False |
---|
| 697 | |
---|
| 698 | self.show_pr(self._last_out, self._last_pr, self._last_cov) |
---|
| 699 | |
---|
| 700 | # Now scale the added plots too |
---|
| 701 | for plot in self._added_plots: |
---|
| 702 | _max = 0 |
---|
| 703 | for y in self._added_plots[plot].y: |
---|
| 704 | if y > _max: |
---|
| 705 | _max = y |
---|
| 706 | y = self._added_plots[plot].y / _max |
---|
| 707 | |
---|
| 708 | new_plot = Data1D(self._added_plots[plot].x, y) |
---|
| 709 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
---|
| 710 | new_plot.name = self._added_plots[plot].name |
---|
| 711 | new_plot.xaxis("\\rm{r}", 'A') |
---|
| 712 | new_plot.yaxis("\\rm{P(r)} ", "cm^{-3}") |
---|
| 713 | self.parent.update_theory(data_id=self.data_id, theory=new_plot) |
---|
| 714 | wx.PostEvent(self.parent, |
---|
| 715 | NewPlotEvent(plot=new_plot, update=True, |
---|
| 716 | title=self._added_plots[plot].name)) |
---|
| 717 | |
---|
| 718 | def start_thread(self): |
---|
| 719 | """ |
---|
| 720 | Start a calculation thread |
---|
| 721 | """ |
---|
[fa81e94] | 722 | from .pr_thread import CalcPr |
---|
[959eb01] | 723 | |
---|
| 724 | # If a thread is already started, stop it |
---|
[7432acb] | 725 | if self.calc_thread is not None and self.calc_thread.isrunning(): |
---|
[959eb01] | 726 | self.calc_thread.stop() |
---|
| 727 | ## stop just raises the flag -- the thread is supposed to |
---|
| 728 | ## then kill itself. In August 2014 it was shown that this is |
---|
| 729 | ## incorrectly handled by fitting.py and a fix implemented. |
---|
| 730 | ## It is not clear whether it is properly used here, but the |
---|
| 731 | ## "fix" of waiting for the previous thread to end breaks the |
---|
| 732 | ## pr perspective completely as it causes an infinite loop. |
---|
| 733 | ## Thus it is likely the threading is bing properly handled. |
---|
| 734 | ## While the "fix" is no longer implemented the comment is |
---|
| 735 | ## left here till somebody ascertains that in fact the threads |
---|
| 736 | ## are being properly handled. |
---|
| 737 | ## |
---|
| 738 | ## -PDB January 25, 2015 |
---|
| 739 | |
---|
| 740 | pr = self.pr.clone() |
---|
| 741 | self.calc_thread = CalcPr(pr, self.nfunc, |
---|
| 742 | error_func=self._thread_error, |
---|
| 743 | completefn=self._completed, updatefn=None) |
---|
| 744 | self.calc_thread.queue() |
---|
| 745 | self.calc_thread.ready(2.5) |
---|
| 746 | |
---|
| 747 | def _thread_error(self, error): |
---|
| 748 | """ |
---|
| 749 | Call-back method for calculation errors |
---|
| 750 | """ |
---|
| 751 | wx.PostEvent(self.parent, StatusEvent(status=error)) |
---|
| 752 | |
---|
| 753 | def _estimate_completed(self, alpha, message, elapsed): |
---|
| 754 | """ |
---|
| 755 | Parameter estimation completed, |
---|
| 756 | display the results to the user |
---|
| 757 | |
---|
| 758 | :param alpha: estimated best alpha |
---|
| 759 | :param elapsed: computation time |
---|
| 760 | |
---|
| 761 | """ |
---|
| 762 | # Save useful info |
---|
| 763 | self.elapsed = elapsed |
---|
| 764 | self.control_panel.alpha_estimate = alpha |
---|
[ac07a3a] | 765 | if message is not None: |
---|
[959eb01] | 766 | wx.PostEvent(self.parent, StatusEvent(status=str(message))) |
---|
| 767 | self.perform_estimateNT() |
---|
| 768 | |
---|
| 769 | def _estimateNT_completed(self, nterms, alpha, message, elapsed): |
---|
| 770 | """ |
---|
| 771 | Parameter estimation completed, |
---|
| 772 | display the results to the user |
---|
| 773 | |
---|
| 774 | :param alpha: estimated best alpha |
---|
| 775 | :param nterms: estimated number of terms |
---|
| 776 | :param elapsed: computation time |
---|
| 777 | |
---|
| 778 | """ |
---|
| 779 | # Save useful info |
---|
| 780 | self.elapsed = elapsed |
---|
| 781 | self.control_panel.nterms_estimate = nterms |
---|
| 782 | self.control_panel.alpha_estimate = alpha |
---|
[ac07a3a] | 783 | if message is not None: |
---|
[959eb01] | 784 | wx.PostEvent(self.parent, StatusEvent(status=str(message))) |
---|
| 785 | |
---|
| 786 | def _completed(self, out, cov, pr, elapsed): |
---|
| 787 | """ |
---|
| 788 | wxCallAfter Method called with the results when the inversion |
---|
| 789 | is done |
---|
| 790 | |
---|
| 791 | :param out: output coefficient for the base functions |
---|
| 792 | :param cov: covariance matrix |
---|
| 793 | :param pr: Invertor instance |
---|
| 794 | :param elapsed: time spent computing |
---|
| 795 | """ |
---|
| 796 | # Ensure hat you have all inputs are ready at the time call happens: |
---|
| 797 | # Without CallAfter, it will freeze with wx >= 2.9. |
---|
| 798 | wx.CallAfter(self._completed_call, out, cov, pr, elapsed) |
---|
| 799 | |
---|
| 800 | def _completed_call(self, out, cov, pr, elapsed): |
---|
| 801 | """ |
---|
| 802 | Method called with the results when the inversion |
---|
| 803 | is done |
---|
| 804 | |
---|
| 805 | :param out: output coefficient for the base functions |
---|
| 806 | :param cov: covariance matrix |
---|
| 807 | :param pr: Invertor instance |
---|
| 808 | :param elapsed: time spent computing |
---|
| 809 | |
---|
| 810 | """ |
---|
| 811 | # Save useful info |
---|
| 812 | self.elapsed = elapsed |
---|
| 813 | # Keep a copy of the last result |
---|
| 814 | self._last_pr = pr.clone() |
---|
| 815 | self._last_out = out |
---|
| 816 | self._last_cov = cov |
---|
| 817 | |
---|
| 818 | # Save Pr invertor |
---|
| 819 | self.pr = pr |
---|
| 820 | cov = np.ascontiguousarray(cov) |
---|
| 821 | |
---|
| 822 | # Show result on control panel |
---|
| 823 | self.control_panel.chi2 = pr.chi2 |
---|
| 824 | self.control_panel.elapsed = elapsed |
---|
| 825 | self.control_panel.oscillation = pr.oscillations(out) |
---|
| 826 | self.control_panel.positive = pr.get_positive(out) |
---|
| 827 | self.control_panel.pos_err = pr.get_pos_err(out, cov) |
---|
| 828 | self.control_panel.rg = pr.rg(out) |
---|
| 829 | self.control_panel.iq0 = pr.iq0(out) |
---|
| 830 | self.control_panel.bck = pr.background |
---|
[cb62bd5] | 831 | self.control_panel.bck_input.SetValue("{:.2g}".format(pr.background)) |
---|
[959eb01] | 832 | |
---|
| 833 | # Show I(q) fit |
---|
| 834 | self.show_iq(out, self.pr) |
---|
| 835 | |
---|
| 836 | # Show P(r) fit |
---|
| 837 | self.show_pr(out, self.pr, cov) |
---|
| 838 | |
---|
| 839 | def show_data(self, path=None, data=None, reset=False): |
---|
| 840 | """ |
---|
| 841 | Show data read from a file |
---|
| 842 | |
---|
| 843 | :param path: file path |
---|
| 844 | :param reset: if True all other plottables will be cleared |
---|
| 845 | |
---|
| 846 | """ |
---|
| 847 | #if path is not None: |
---|
| 848 | if data is not None: |
---|
| 849 | try: |
---|
| 850 | pr = self._create_file_pr(data) |
---|
| 851 | except: |
---|
[fa81e94] | 852 | status = "Problem reading data: %s" % sys.exc_info()[1] |
---|
[959eb01] | 853 | wx.PostEvent(self.parent, StatusEvent(status=status)) |
---|
[fa81e94] | 854 | raise RuntimeError(status) |
---|
[959eb01] | 855 | |
---|
| 856 | # If the file contains nothing, just return |
---|
| 857 | if pr is None: |
---|
[fa81e94] | 858 | raise RuntimeError("Loaded data is invalid") |
---|
[959eb01] | 859 | |
---|
| 860 | self.pr = pr |
---|
| 861 | |
---|
| 862 | # Make a plot of I(q) data |
---|
[235f514] | 863 | if self.pr.err is None: |
---|
[959eb01] | 864 | new_plot = Data1D(self.pr.x, self.pr.y) |
---|
| 865 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
---|
| 866 | else: |
---|
| 867 | new_plot = Data1D(self.pr.x, self.pr.y, dy=self.pr.err) |
---|
| 868 | new_plot.name = IQ_DATA_LABEL |
---|
| 869 | new_plot.xaxis("\\rm{Q}", 'A^{-1}') |
---|
| 870 | new_plot.yaxis("\\rm{Intensity} ", "cm^{-1}") |
---|
| 871 | new_plot.interactive = True |
---|
| 872 | new_plot.group_id = GROUP_ID_IQ_DATA |
---|
| 873 | new_plot.id = self.data_id |
---|
| 874 | new_plot.title = "I(q)" |
---|
| 875 | wx.PostEvent(self.parent, |
---|
| 876 | NewPlotEvent(plot=new_plot, title="I(q)", reset=reset)) |
---|
| 877 | |
---|
| 878 | self.current_plottable = new_plot |
---|
| 879 | # Get Q range |
---|
| 880 | self.control_panel.q_min = min(self.pr.x) |
---|
| 881 | self.control_panel.q_max = max(self.pr.x) |
---|
| 882 | |
---|
| 883 | def save_data(self, filepath, prstate=None): |
---|
| 884 | """ |
---|
| 885 | Save data in provided state object. |
---|
| 886 | |
---|
| 887 | :TODO: move the state code away from inversion_panel and move it here. |
---|
| 888 | Then remove the "prstate" input and make this method private. |
---|
| 889 | |
---|
| 890 | :param filepath: path of file to write to |
---|
| 891 | :param prstate: P(r) inversion state |
---|
| 892 | |
---|
| 893 | """ |
---|
| 894 | #TODO: do we need this or can we use DataLoader.loader.save directly? |
---|
| 895 | |
---|
| 896 | # Add output data and coefficients to state |
---|
| 897 | prstate.coefficients = self._last_out |
---|
| 898 | prstate.covariance = self._last_cov |
---|
| 899 | |
---|
| 900 | # Write the output to file |
---|
| 901 | # First, check that the data is of the right type |
---|
| 902 | if issubclass(self.current_plottable.__class__, |
---|
| 903 | sas.sascalc.dataloader.data_info.Data1D): |
---|
| 904 | self.state_reader.write(filepath, self.current_plottable, prstate) |
---|
| 905 | else: |
---|
| 906 | msg = "pr.save_data: the data being saved is not a" |
---|
| 907 | msg += " sas.data_info.Data1D object" |
---|
[fa81e94] | 908 | raise RuntimeError(msg) |
---|
[959eb01] | 909 | |
---|
| 910 | def setup_plot_inversion(self, alpha, nfunc, d_max, q_min=None, q_max=None, |
---|
[cb62bd5] | 911 | est_bck=False, bck_val=0, height=0, width=0): |
---|
[959eb01] | 912 | """ |
---|
| 913 | Set up inversion from plotted data |
---|
| 914 | """ |
---|
| 915 | self.alpha = alpha |
---|
| 916 | self.nfunc = nfunc |
---|
| 917 | self.max_length = d_max |
---|
| 918 | self.q_min = q_min |
---|
| 919 | self.q_max = q_max |
---|
[cb62bd5] | 920 | self.est_bck = est_bck |
---|
| 921 | self.bck_val = bck_val |
---|
[959eb01] | 922 | self.slit_height = height |
---|
| 923 | self.slit_width = width |
---|
| 924 | |
---|
| 925 | try: |
---|
| 926 | pr = self._create_plot_pr() |
---|
[ac07a3a] | 927 | if pr is not None: |
---|
[959eb01] | 928 | self.pr = pr |
---|
| 929 | self.perform_inversion() |
---|
| 930 | except: |
---|
[fa81e94] | 931 | wx.PostEvent(self.parent, StatusEvent(status=sys.exc_info()[1])) |
---|
[959eb01] | 932 | |
---|
| 933 | def estimate_plot_inversion(self, alpha, nfunc, d_max, |
---|
| 934 | q_min=None, q_max=None, |
---|
[cb62bd5] | 935 | est_bck=False, bck_val=0, height=0, width=0): |
---|
[959eb01] | 936 | """ |
---|
| 937 | Estimate parameters from plotted data |
---|
| 938 | """ |
---|
| 939 | self.alpha = alpha |
---|
| 940 | self.nfunc = nfunc |
---|
| 941 | self.max_length = d_max |
---|
| 942 | self.q_min = q_min |
---|
| 943 | self.q_max = q_max |
---|
[cb62bd5] | 944 | self.est_bck = est_bck |
---|
| 945 | self.bck_val = bck_val |
---|
[959eb01] | 946 | self.slit_height = height |
---|
| 947 | self.slit_width = width |
---|
| 948 | |
---|
| 949 | try: |
---|
| 950 | pr = self._create_plot_pr() |
---|
[ac07a3a] | 951 | if pr is not None: |
---|
[959eb01] | 952 | self.pr = pr |
---|
| 953 | self.perform_estimate() |
---|
| 954 | except: |
---|
[fa81e94] | 955 | wx.PostEvent(self.parent, StatusEvent(status=sys.exc_info()[1])) |
---|
[959eb01] | 956 | |
---|
| 957 | def _create_plot_pr(self, estimate=False): |
---|
| 958 | """ |
---|
| 959 | Create and prepare invertor instance from |
---|
| 960 | a plottable data set. |
---|
| 961 | |
---|
| 962 | :param path: path of the file to read in |
---|
| 963 | |
---|
| 964 | """ |
---|
| 965 | # Sanity check |
---|
| 966 | if self.current_plottable is None: |
---|
| 967 | msg = "Please load a valid data set before proceeding." |
---|
| 968 | wx.PostEvent(self.parent, StatusEvent(status=msg)) |
---|
| 969 | return None |
---|
| 970 | |
---|
| 971 | # Get the data from the chosen data set and perform inversion |
---|
| 972 | pr = Invertor() |
---|
| 973 | pr.d_max = self.max_length |
---|
| 974 | pr.alpha = self.alpha |
---|
| 975 | pr.q_min = self.q_min |
---|
| 976 | pr.q_max = self.q_max |
---|
| 977 | pr.x = self.current_plottable.x |
---|
| 978 | pr.y = self.current_plottable.y |
---|
[cb62bd5] | 979 | pr.est_bck = self.est_bck |
---|
[959eb01] | 980 | pr.slit_height = self.slit_height |
---|
| 981 | pr.slit_width = self.slit_width |
---|
[cb62bd5] | 982 | pr.background = self.bck_val |
---|
[959eb01] | 983 | |
---|
| 984 | # Keep track of the plot window title to ensure that |
---|
| 985 | # we can overlay the plots |
---|
| 986 | pr.info["plot_group_id"] = self.current_plottable.group_id |
---|
| 987 | |
---|
| 988 | # Fill in errors if none were provided |
---|
| 989 | err = self.current_plottable.dy |
---|
| 990 | all_zeros = True |
---|
[235f514] | 991 | if err is None: |
---|
[959eb01] | 992 | err = np.zeros(len(pr.y)) |
---|
| 993 | else: |
---|
| 994 | for i in range(len(err)): |
---|
| 995 | if err[i] > 0: |
---|
| 996 | all_zeros = False |
---|
| 997 | |
---|
| 998 | if all_zeros: |
---|
| 999 | scale = None |
---|
| 1000 | min_err = 0.0 |
---|
| 1001 | for i in range(len(pr.y)): |
---|
| 1002 | # Scale the error so that we can fit over several decades of Q |
---|
[235f514] | 1003 | if scale is None: |
---|
[959eb01] | 1004 | scale = 0.05 * math.sqrt(pr.y[i]) |
---|
| 1005 | min_err = 0.01 * pr.y[i] |
---|
| 1006 | err[i] = scale * math.sqrt(math.fabs(pr.y[i])) + min_err |
---|
| 1007 | message = "The loaded file had no error bars, " |
---|
| 1008 | message += "statistical errors are assumed." |
---|
| 1009 | wx.PostEvent(self.parent, StatusEvent(status=message)) |
---|
| 1010 | |
---|
| 1011 | pr.err = err |
---|
| 1012 | |
---|
| 1013 | return pr |
---|
| 1014 | |
---|
| 1015 | def setup_file_inversion(self, alpha, nfunc, d_max, data, |
---|
| 1016 | path=None, q_min=None, q_max=None, |
---|
| 1017 | bck=False, height=0, width=0): |
---|
| 1018 | """ |
---|
| 1019 | Set up inversion |
---|
| 1020 | """ |
---|
| 1021 | self.alpha = alpha |
---|
| 1022 | self.nfunc = nfunc |
---|
| 1023 | self.max_length = d_max |
---|
| 1024 | self.q_min = q_min |
---|
| 1025 | self.q_max = q_max |
---|
[cb62bd5] | 1026 | self.est_bck = bck |
---|
[959eb01] | 1027 | self.slit_height = height |
---|
| 1028 | self.slit_width = width |
---|
| 1029 | |
---|
| 1030 | try: |
---|
| 1031 | pr = self._create_file_pr(data) |
---|
[ac07a3a] | 1032 | if pr is not None: |
---|
[959eb01] | 1033 | self.pr = pr |
---|
| 1034 | self.perform_inversion() |
---|
| 1035 | except: |
---|
[fa81e94] | 1036 | wx.PostEvent(self.parent, StatusEvent(status=sys.exc_info()[1])) |
---|
[959eb01] | 1037 | |
---|
| 1038 | def estimate_file_inversion(self, alpha, nfunc, d_max, data, |
---|
| 1039 | path=None, q_min=None, q_max=None, |
---|
| 1040 | bck=False, height=0, width=0): |
---|
| 1041 | """ |
---|
| 1042 | Estimate parameters for inversion |
---|
| 1043 | """ |
---|
| 1044 | self.alpha = alpha |
---|
| 1045 | self.nfunc = nfunc |
---|
| 1046 | self.max_length = d_max |
---|
| 1047 | self.q_min = q_min |
---|
| 1048 | self.q_max = q_max |
---|
[cb62bd5] | 1049 | self.est_bck = bck |
---|
[959eb01] | 1050 | self.slit_height = height |
---|
| 1051 | self.slit_width = width |
---|
| 1052 | |
---|
| 1053 | try: |
---|
| 1054 | pr = self._create_file_pr(data) |
---|
| 1055 | if pr is not None: |
---|
| 1056 | self.pr = pr |
---|
| 1057 | self.perform_estimate() |
---|
| 1058 | except: |
---|
[fa81e94] | 1059 | wx.PostEvent(self.parent, StatusEvent(status=sys.exc_info()[1])) |
---|
[959eb01] | 1060 | |
---|
| 1061 | def _create_file_pr(self, data): |
---|
| 1062 | """ |
---|
| 1063 | Create and prepare invertor instance from |
---|
| 1064 | a file data set. |
---|
| 1065 | |
---|
| 1066 | :param path: path of the file to read in |
---|
| 1067 | |
---|
| 1068 | """ |
---|
| 1069 | # Reset the status bar so that we don't get mixed up |
---|
| 1070 | # with old messages. |
---|
| 1071 | #TODO: refactor this into a proper status handling |
---|
| 1072 | wx.PostEvent(self.parent, StatusEvent(status='')) |
---|
| 1073 | try: |
---|
| 1074 | class FileData(object): |
---|
| 1075 | x = None |
---|
| 1076 | y = None |
---|
| 1077 | err = None |
---|
| 1078 | path = None |
---|
| 1079 | def __init__(self, path): |
---|
| 1080 | self.path = path |
---|
| 1081 | |
---|
| 1082 | self._current_file_data = FileData(data.path) |
---|
| 1083 | self._current_file_data.x = data.x |
---|
| 1084 | self._current_file_data.y = data.y |
---|
| 1085 | self._current_file_data.err = data.dy |
---|
| 1086 | x, y, err = data.x, data.y, data.dy |
---|
| 1087 | except: |
---|
[fa81e94] | 1088 | load_error(sys.exc_info()[1]) |
---|
[959eb01] | 1089 | return None |
---|
| 1090 | |
---|
| 1091 | # If the file contains no data, just return |
---|
| 1092 | if x is None or len(x) == 0: |
---|
| 1093 | load_error("The loaded file contains no data") |
---|
| 1094 | return None |
---|
| 1095 | |
---|
| 1096 | # If we have not errors, add statistical errors |
---|
| 1097 | if y is not None: |
---|
[235f514] | 1098 | if err is None or np.all(err) == 0: |
---|
[959eb01] | 1099 | err = np.zeros(len(y)) |
---|
| 1100 | scale = None |
---|
| 1101 | min_err = 0.0 |
---|
| 1102 | for i in range(len(y)): |
---|
| 1103 | # Scale the error so that we can fit over several decades of Q |
---|
[235f514] | 1104 | if scale is None: |
---|
[959eb01] | 1105 | scale = 0.05 * math.sqrt(y[i]) |
---|
| 1106 | min_err = 0.01 * y[i] |
---|
| 1107 | err[i] = scale * math.sqrt(math.fabs(y[i])) + min_err |
---|
| 1108 | message = "The loaded file had no error bars, " |
---|
| 1109 | message += "statistical errors are assumed." |
---|
| 1110 | wx.PostEvent(self.parent, StatusEvent(status=message)) |
---|
| 1111 | |
---|
| 1112 | try: |
---|
| 1113 | # Get the data from the chosen data set and perform inversion |
---|
| 1114 | pr = Invertor() |
---|
| 1115 | pr.d_max = self.max_length |
---|
| 1116 | pr.alpha = self.alpha |
---|
| 1117 | pr.q_min = self.q_min |
---|
| 1118 | pr.q_max = self.q_max |
---|
| 1119 | pr.x = x |
---|
| 1120 | pr.y = y |
---|
| 1121 | pr.err = err |
---|
[cb62bd5] | 1122 | pr.est_bck = self.est_bck |
---|
[959eb01] | 1123 | pr.slit_height = self.slit_height |
---|
| 1124 | pr.slit_width = self.slit_width |
---|
| 1125 | return pr |
---|
| 1126 | except: |
---|
[fa81e94] | 1127 | load_error(sys.exc_info()[1]) |
---|
[959eb01] | 1128 | return None |
---|
| 1129 | |
---|
| 1130 | def perform_estimate(self): |
---|
| 1131 | """ |
---|
| 1132 | Perform parameter estimation |
---|
| 1133 | """ |
---|
[fa81e94] | 1134 | from .pr_thread import EstimatePr |
---|
[959eb01] | 1135 | |
---|
| 1136 | # If a thread is already started, stop it |
---|
[7432acb] | 1137 | if self.estimation_thread is not None and \ |
---|
[959eb01] | 1138 | self.estimation_thread.isrunning(): |
---|
| 1139 | self.estimation_thread.stop() |
---|
| 1140 | ## stop just raises the flag -- the thread is supposed to |
---|
| 1141 | ## then kill itself. In August 2014 it was shown that this is |
---|
| 1142 | ## incorrectly handled by fitting.py and a fix implemented. |
---|
| 1143 | ## It is not clear whether it is properly used here, but the |
---|
| 1144 | ## "fix" of waiting for the previous thread to end breaks the |
---|
| 1145 | ## pr perspective completely as it causes an infinite loop. |
---|
| 1146 | ## Thus it is likely the threading is bing properly handled. |
---|
| 1147 | ## While the "fix" is no longer implemented the comment is |
---|
| 1148 | ## left here till somebody ascertains that in fact the threads |
---|
| 1149 | ## are being properly handled. |
---|
| 1150 | ## |
---|
| 1151 | ## -PDB January 25, 2015 |
---|
| 1152 | pr = self.pr.clone() |
---|
| 1153 | self.estimation_thread = EstimatePr(pr, self.nfunc, |
---|
| 1154 | error_func=self._thread_error, |
---|
| 1155 | completefn=self._estimate_completed, |
---|
| 1156 | updatefn=None) |
---|
| 1157 | self.estimation_thread.queue() |
---|
| 1158 | self.estimation_thread.ready(2.5) |
---|
| 1159 | |
---|
| 1160 | def perform_estimateNT(self): |
---|
| 1161 | """ |
---|
| 1162 | Perform parameter estimation |
---|
| 1163 | """ |
---|
[fa81e94] | 1164 | from .pr_thread import EstimateNT |
---|
[959eb01] | 1165 | |
---|
| 1166 | # If a thread is already started, stop it |
---|
[7432acb] | 1167 | if self.estimation_thread is not None and self.estimation_thread.isrunning(): |
---|
[959eb01] | 1168 | self.estimation_thread.stop() |
---|
| 1169 | ## stop just raises the flag -- the thread is supposed to |
---|
| 1170 | ## then kill itself. In August 2014 it was shown that this is |
---|
| 1171 | ## incorrectly handled by fitting.py and a fix implemented. |
---|
| 1172 | ## It is not clear whether it is properly used here, but the |
---|
| 1173 | ## "fix" of waiting for the previous thread to end breaks the |
---|
| 1174 | ## pr perspective completely as it causes an infinite loop. |
---|
| 1175 | ## Thus it is likely the threading is bing properly handled. |
---|
| 1176 | ## While the "fix" is no longer implemented the comment is |
---|
| 1177 | ## left here till somebody ascertains that in fact the threads |
---|
| 1178 | ## are being properly handled. |
---|
| 1179 | ## |
---|
| 1180 | ## -PDB January 25, 2015 |
---|
| 1181 | pr = self.pr.clone() |
---|
| 1182 | # Skip the slit settings for the estimation |
---|
| 1183 | # It slows down the application and it doesn't change the estimates |
---|
| 1184 | pr.slit_height = 0.0 |
---|
| 1185 | pr.slit_width = 0.0 |
---|
| 1186 | self.estimation_thread = EstimateNT(pr, self.nfunc, |
---|
| 1187 | error_func=self._thread_error, |
---|
| 1188 | completefn=self._estimateNT_completed, |
---|
| 1189 | updatefn=None) |
---|
| 1190 | self.estimation_thread.queue() |
---|
| 1191 | self.estimation_thread.ready(2.5) |
---|
| 1192 | |
---|
| 1193 | def perform_inversion(self): |
---|
| 1194 | """ |
---|
| 1195 | Perform inversion |
---|
| 1196 | """ |
---|
| 1197 | self.start_thread() |
---|
| 1198 | |
---|
| 1199 | def _on_context_inversion(self, event): |
---|
| 1200 | """ |
---|
| 1201 | Call-back method for plot context menu |
---|
| 1202 | """ |
---|
| 1203 | panel = event.GetEventObject() |
---|
| 1204 | Plugin.on_perspective(self, event=event) |
---|
| 1205 | |
---|
| 1206 | # If we have more than one displayed plot, make the user choose |
---|
| 1207 | if len(panel.plots) >= 1 and \ |
---|
| 1208 | panel.graph.selected_plottable in panel.plots: |
---|
| 1209 | dataset = panel.plots[panel.graph.selected_plottable].name |
---|
| 1210 | else: |
---|
| 1211 | logger.info("Prview Error: No data is available") |
---|
| 1212 | return |
---|
| 1213 | |
---|
| 1214 | # Store a reference to the current plottable |
---|
| 1215 | # If we have a suggested value, use it. |
---|
| 1216 | try: |
---|
| 1217 | estimate = float(self.control_panel.alpha_estimate) |
---|
| 1218 | self.control_panel.alpha = estimate |
---|
| 1219 | except: |
---|
| 1220 | self.control_panel.alpha = self.alpha |
---|
| 1221 | logger.info("Prview :Alpha Not estimate yet") |
---|
| 1222 | try: |
---|
| 1223 | estimate = int(self.control_panel.nterms_estimate) |
---|
| 1224 | self.control_panel.nfunc = estimate |
---|
| 1225 | except: |
---|
| 1226 | self.control_panel.nfunc = self.nfunc |
---|
| 1227 | logger.info("Prview : ntemrs Not estimate yet") |
---|
| 1228 | |
---|
| 1229 | self.current_plottable = panel.plots[panel.graph.selected_plottable] |
---|
| 1230 | self.set_data([self.current_plottable]) |
---|
| 1231 | self.control_panel.plotname = dataset |
---|
| 1232 | #self.control_panel.nfunc = self.nfunc |
---|
| 1233 | self.control_panel.d_max = self.max_length |
---|
| 1234 | #self.parent.set_perspective(self.perspective) |
---|
| 1235 | self.control_panel._on_invert(None) |
---|
| 1236 | |
---|
| 1237 | def get_panels(self, parent): |
---|
| 1238 | """ |
---|
| 1239 | Create and return a list of panel objects |
---|
| 1240 | """ |
---|
[fa81e94] | 1241 | from .inversion_panel import InversionControl |
---|
[959eb01] | 1242 | |
---|
| 1243 | self.parent = parent |
---|
| 1244 | self.frame = MDIFrame(self.parent, None, 'None', (100, 200)) |
---|
| 1245 | self.control_panel = InversionControl(self.frame, -1, |
---|
| 1246 | style=wx.RAISED_BORDER) |
---|
| 1247 | self.frame.set_panel(self.control_panel) |
---|
| 1248 | self._frame_set_helper() |
---|
| 1249 | self.control_panel.set_manager(self) |
---|
| 1250 | self.control_panel.nfunc = self.nfunc |
---|
| 1251 | self.control_panel.d_max = self.max_length |
---|
| 1252 | self.control_panel.alpha = self.alpha |
---|
| 1253 | self.perspective = [] |
---|
| 1254 | self.perspective.append(self.control_panel.window_name) |
---|
| 1255 | |
---|
| 1256 | return [self.control_panel] |
---|
| 1257 | |
---|
| 1258 | def set_data(self, data_list=None): |
---|
| 1259 | """ |
---|
| 1260 | receive a list of data to compute pr |
---|
| 1261 | """ |
---|
| 1262 | if data_list is None: |
---|
| 1263 | data_list = [] |
---|
| 1264 | if len(data_list) >= 1: |
---|
| 1265 | if len(data_list) == 1: |
---|
| 1266 | data = data_list[0] |
---|
| 1267 | else: |
---|
| 1268 | data_1d_list = [] |
---|
| 1269 | data_2d_list = [] |
---|
| 1270 | error_msg = "" |
---|
| 1271 | # separate data into data1d and data2d list |
---|
| 1272 | for data in data_list: |
---|
| 1273 | if data is not None: |
---|
| 1274 | if issubclass(data.__class__, Data1D): |
---|
| 1275 | data_1d_list.append(data) |
---|
| 1276 | else: |
---|
| 1277 | error_msg += " %s type %s \n" % (str(data.name), |
---|
| 1278 | str(data.__class__.__name__)) |
---|
| 1279 | data_2d_list.append(data) |
---|
| 1280 | if len(data_2d_list) > 0: |
---|
| 1281 | msg = "PrView does not support the following data types:\n" |
---|
| 1282 | msg += error_msg |
---|
| 1283 | if len(data_1d_list) == 0: |
---|
| 1284 | wx.PostEvent(self.parent, StatusEvent(status=msg, info='error')) |
---|
| 1285 | return |
---|
| 1286 | msg = "Prview does not allow multiple data!\n" |
---|
| 1287 | msg += "Please select one.\n" |
---|
| 1288 | if len(data_list) > 1: |
---|
[fa81e94] | 1289 | from .pr_widgets import DataDialog |
---|
[959eb01] | 1290 | dlg = DataDialog(data_list=data_1d_list, text=msg) |
---|
| 1291 | if dlg.ShowModal() == wx.ID_OK: |
---|
| 1292 | data = dlg.get_data() |
---|
| 1293 | else: |
---|
| 1294 | data = None |
---|
| 1295 | dlg.Destroy() |
---|
| 1296 | if data is None: |
---|
| 1297 | msg += "PrView receives no data. \n" |
---|
| 1298 | wx.PostEvent(self.parent, StatusEvent(status=msg, info='error')) |
---|
| 1299 | return |
---|
| 1300 | if issubclass(data.__class__, Data1D): |
---|
| 1301 | try: |
---|
| 1302 | wx.PostEvent(self.parent, |
---|
| 1303 | NewPlotEvent(action='remove', |
---|
| 1304 | group_id=GROUP_ID_IQ_DATA, |
---|
| 1305 | id=self.data_id)) |
---|
| 1306 | self.data_id = data.id |
---|
| 1307 | self.control_panel._change_file(evt=None, data=data) |
---|
| 1308 | except: |
---|
[fa81e94] | 1309 | msg = "Prview Set_data: " + str(sys.exc_info()[1]) |
---|
[959eb01] | 1310 | wx.PostEvent(self.parent, StatusEvent(status=msg, info="error")) |
---|
| 1311 | else: |
---|
| 1312 | msg = "Pr cannot be computed for data of " |
---|
| 1313 | msg += "type %s" % (data_list[0].__class__.__name__) |
---|
| 1314 | wx.PostEvent(self.parent, StatusEvent(status=msg, info='error')) |
---|
| 1315 | else: |
---|
| 1316 | msg = "Pr contain no data" |
---|
| 1317 | wx.PostEvent(self.parent, StatusEvent(status=msg, info='warning')) |
---|
| 1318 | |
---|
| 1319 | def post_init(self): |
---|
| 1320 | """ |
---|
| 1321 | Post initialization call back to close the loose ends |
---|
| 1322 | [Somehow openGL needs this call] |
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| 1323 | """ |
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| 1324 | pass |
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