[9ff861b] | 1 | |
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[7116b6e0] | 2 | ################################################################################ |
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| 3 | #This software was developed by the University of Tennessee as part of the |
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| 4 | #Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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| 5 | #project funded by the US National Science Foundation. |
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| 6 | # |
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| 7 | #See the license text in license.txt |
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| 8 | # |
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| 9 | #copyright 2009, University of Tennessee |
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| 10 | ################################################################################ |
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[9ff861b] | 11 | |
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| 12 | |
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[f3d51f6] | 13 | # Make sure the option of saving each curve is available |
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| 14 | # Use the I(q) curve as input and compare the output to P(r) |
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| 15 | |
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| 16 | import os |
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[4a5de6f] | 17 | import sys |
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[f3d51f6] | 18 | import wx |
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[aa4b8379] | 19 | import logging |
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[302510b] | 20 | import time |
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[75df58b] | 21 | import copy |
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| 22 | import math |
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| 23 | import numpy |
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| 24 | import pylab |
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| 25 | from sans.guiframe.dataFitting import Data1D |
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| 26 | from sans.guiframe.events import NewPlotEvent |
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[a07e72f] | 27 | from sans.guiframe.events import StatusEvent |
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| 28 | from sans.guiframe.gui_style import GUIFRAME_ID |
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[f3d51f6] | 29 | from sans.pr.invertor import Invertor |
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[aab8ad7] | 30 | from DataLoader.loader import Loader |
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[a07e72f] | 31 | |
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[af91b68] | 32 | from pr_widgets import load_error |
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[75df58b] | 33 | from sans.guiframe.plugin_base import PluginBase |
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[f3d51f6] | 34 | |
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[0d88a09] | 35 | |
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[f1181977] | 36 | PR_FIT_LABEL = r"$P_{fit}(r)$" |
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| 37 | PR_LOADED_LABEL = r"$P_{loaded}(r)$" |
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| 38 | IQ_DATA_LABEL = r"$I_{obs}(q)$" |
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| 39 | IQ_FIT_LABEL = r"$I_{fit}(q)$" |
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| 40 | IQ_SMEARED_LABEL = r"$I_{smeared}(q)$" |
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[aa4b8379] | 41 | |
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| 42 | |
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[3e41f43] | 43 | class Plugin(PluginBase): |
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[7116b6e0] | 44 | """ |
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| 45 | """ |
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[b659551] | 46 | DEFAULT_ALPHA = 0.0001 |
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| 47 | DEFAULT_NFUNC = 10 |
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| 48 | DEFAULT_DMAX = 140.0 |
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| 49 | |
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[d2ee6f6] | 50 | def __init__(self, standalone=True): |
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[3e41f43] | 51 | PluginBase.__init__(self, name="Pr inversion", standalone=standalone) |
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[f3d51f6] | 52 | ## Simulation window manager |
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| 53 | self.simview = None |
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[3e41f43] | 54 | |
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[f3d51f6] | 55 | ## State data |
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[b659551] | 56 | self.alpha = self.DEFAULT_ALPHA |
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| 57 | self.nfunc = self.DEFAULT_NFUNC |
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| 58 | self.max_length = self.DEFAULT_DMAX |
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[634f1cf] | 59 | self.q_min = None |
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| 60 | self.q_max = None |
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[a4bd2ac] | 61 | self.has_bck = False |
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[2a92852] | 62 | self.slit_height = 0 |
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| 63 | self.slit_width = 0 |
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[f3d51f6] | 64 | ## Remember last plottable processed |
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| 65 | self.last_data = "sphere_60_q0_2.txt" |
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[0bae207] | 66 | self._current_file_data = None |
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[f3d51f6] | 67 | ## Time elapsed for last computation [sec] |
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| 68 | # Start with a good default |
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| 69 | self.elapsed = 0.022 |
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[aa4b8379] | 70 | self.iq_data_shown = False |
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[f3d51f6] | 71 | |
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| 72 | ## Current invertor |
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| 73 | self.invertor = None |
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[3fd1ebc] | 74 | self.pr = None |
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[feb21d8] | 75 | # Copy of the last result in case we need to display it. |
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| 76 | self._last_pr = None |
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| 77 | self._last_out = None |
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| 78 | self._last_cov = None |
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[f3d51f6] | 79 | ## Calculation thread |
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| 80 | self.calc_thread = None |
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| 81 | ## Estimation thread |
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| 82 | self.estimation_thread = None |
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| 83 | ## Result panel |
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| 84 | self.control_panel = None |
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| 85 | ## Currently views plottable |
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| 86 | self.current_plottable = None |
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[b659551] | 87 | ## Number of P(r) points to display on the output plot |
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| 88 | self._pr_npts = 51 |
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[aa4b8379] | 89 | ## Flag to let the plug-in know that it is running standalone |
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[d2ee6f6] | 90 | self.standalone = standalone |
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[feb21d8] | 91 | self._normalize_output = False |
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| 92 | self._scale_output_unity = False |
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[aa4b8379] | 93 | |
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[f1181977] | 94 | ## List of added P(r) plots |
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| 95 | self._added_plots = {} |
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| 96 | self._default_Iq = {} |
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| 97 | |
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[6f1f129] | 98 | # Associate the inversion state reader with .prv files |
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| 99 | from inversion_state import Reader |
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| 100 | |
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[0d88a09] | 101 | # Create a CanSAS/Pr reader |
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| 102 | self.state_reader = Reader(self.set_state) |
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[6d3d5ff] | 103 | self._extensions = '.prv' |
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[6f1f129] | 104 | l = Loader() |
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[410aad8] | 105 | l.associate_file_reader('.prv', self.state_reader) |
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[6d3d5ff] | 106 | l.associate_file_reader(".svs", self.state_reader) |
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[6f1f129] | 107 | |
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[aa4b8379] | 108 | # Log startup |
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| 109 | logging.info("Pr(r) plug-in started") |
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| 110 | |
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[6d3d5ff] | 111 | def get_data(self): |
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| 112 | """ |
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| 113 | """ |
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| 114 | return self.current_plottable |
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| 115 | |
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[75fbd17] | 116 | def set_state(self, state=None, datainfo=None): |
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[6f1f129] | 117 | """ |
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[7116b6e0] | 118 | Call-back method for the inversion state reader. |
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| 119 | This method is called when a .prv file is loaded. |
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| 120 | |
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| 121 | :param state: InversionState object |
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| 122 | :param datainfo: Data1D object [optional] |
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| 123 | |
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[6f1f129] | 124 | """ |
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[410aad8] | 125 | try: |
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[75fbd17] | 126 | if datainfo.__class__.__name__ == 'list': |
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[c03b780] | 127 | if len(datainfo) >= 1: |
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[75fbd17] | 128 | data = datainfo[0] |
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[c03b780] | 129 | else: |
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| 130 | data = None |
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| 131 | else: |
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| 132 | data = datainfo |
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[75fbd17] | 133 | if data is None: |
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[0d88a09] | 134 | raise RuntimeError, "Pr.set_state: datainfo parameter cannot be None in standalone mode" |
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[229da98] | 135 | |
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[0d88a09] | 136 | # Ensuring that plots are coordinated correctly |
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[75fbd17] | 137 | t = time.localtime(data.meta_data['prstate'].timestamp) |
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[0d88a09] | 138 | time_str = time.strftime("%b %d %H:%M", t) |
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| 139 | |
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| 140 | # Check that no time stamp is already appended |
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[75fbd17] | 141 | max_char = data.meta_data['prstate'].file.find("[") |
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[0d88a09] | 142 | if max_char < 0: |
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[75fbd17] | 143 | max_char = len(data.meta_data['prstate'].file) |
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[0d88a09] | 144 | |
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[229da98] | 145 | datainfo.meta_data['prstate'].file = data.meta_data['prstate'].file[0:max_char] +' [' + time_str + ']' |
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[75fbd17] | 146 | data.filename = data.meta_data['prstate'].file |
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[053c769] | 147 | # TODO: |
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| 148 | #remove this call when state save all information about the gui data |
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| 149 | # such as ID , Group_ID, etc... |
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| 150 | #make self.current_plottable = datainfo directly |
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[229da98] | 151 | self.current_plottable = self.parent.create_gui_data(data,None) |
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| 152 | self.current_plottable.group_id = data.meta_data['prstate'].file |
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[75fbd17] | 153 | |
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| 154 | # Make sure the user sees the P(r) panel after loading |
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| 155 | #self.parent.set_perspective(self.perspective) |
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| 156 | self.on_perspective(event=None) |
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[0d88a09] | 157 | |
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[410aad8] | 158 | # Load the P(r) results |
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[229da98] | 159 | #state = self.state_reader.get_state() |
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[a3149c5] | 160 | self.parent.add_data(data_list=[self.current_plottable]) |
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[75fbd17] | 161 | wx.PostEvent(self.parent, NewPlotEvent(plot=self.current_plottable, |
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| 162 | title=self.current_plottable.title)) |
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[410aad8] | 163 | self.control_panel.set_state(state) |
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| 164 | except: |
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[a07e72f] | 165 | logging.error("prview.set_state: %s" % sys.exc_value) |
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[f3d51f6] | 166 | |
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[8994b6b] | 167 | |
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[119a11d] | 168 | def help(self, evt): |
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| 169 | """ |
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[7116b6e0] | 170 | Show a general help dialog. |
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| 171 | |
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| 172 | :TODO: replace the text with a nice image |
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| 173 | |
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[119a11d] | 174 | """ |
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| 175 | from inversion_panel import HelpDialog |
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| 176 | dialog = HelpDialog(None, -1) |
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| 177 | if dialog.ShowModal() == wx.ID_OK: |
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| 178 | dialog.Destroy() |
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| 179 | else: |
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| 180 | dialog.Destroy() |
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| 181 | |
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[f3d51f6] | 182 | def _fit_pr(self, evt): |
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[7116b6e0] | 183 | """ |
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| 184 | """ |
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[f3d51f6] | 185 | from sans.pr.invertor import Invertor |
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| 186 | # Generate P(r) for sphere |
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| 187 | radius = 60.0 |
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| 188 | d_max = 2*radius |
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| 189 | |
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| 190 | r = pylab.arange(0.01, d_max, d_max/51.0) |
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| 191 | M = len(r) |
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| 192 | y = numpy.zeros(M) |
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| 193 | pr_err = numpy.zeros(M) |
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| 194 | |
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| 195 | sum = 0.0 |
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| 196 | for j in range(M): |
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| 197 | value = self.pr_theory(r[j], radius) |
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| 198 | sum += value |
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| 199 | y[j] = value |
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| 200 | pr_err[j] = math.sqrt(y[j]) |
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| 201 | |
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| 202 | y = y/sum*d_max/len(r) |
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| 203 | |
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| 204 | # Perform fit |
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| 205 | pr = Invertor() |
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| 206 | pr.d_max = d_max |
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| 207 | pr.alpha = 0 |
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| 208 | pr.x = r |
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| 209 | pr.y = y |
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| 210 | pr.err = pr_err |
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| 211 | out, cov = pr.pr_fit() |
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| 212 | for i in range(len(out)): |
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| 213 | print "%g +- %g" % (out[i], math.sqrt(cov[i][i])) |
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[a07e72f] | 214 | |
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[f3d51f6] | 215 | # Show input P(r) |
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[a07e72f] | 216 | title = "Pr" |
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| 217 | new_plot = Data1D(pr.x, pr.y, dy=pr.err) |
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[f3d51f6] | 218 | new_plot.name = "P_{obs}(r)" |
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| 219 | new_plot.xaxis("\\rm{r}", 'A') |
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| 220 | new_plot.yaxis("\\rm{P(r)} ","cm^{-3}") |
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[a07e72f] | 221 | group_id = "P_{obs}(r)" |
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| 222 | if group_id not in new_plot.group_id: |
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| 223 | new_plot.group_id.append(group_id) |
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| 224 | new_plot.id = "P_{obs}(r)" |
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| 225 | new_plot.title = title |
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[a3149c5] | 226 | self.parent.append_theory(data_id=self.current_plottable.id, |
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| 227 | theory=new_plot) |
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[a07e72f] | 228 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title)) |
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[f3d51f6] | 229 | |
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| 230 | # Show P(r) fit |
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| 231 | self.show_pr(out, pr) |
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| 232 | |
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| 233 | # Show I(q) fit |
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| 234 | q = pylab.arange(0.001, 0.1, 0.01/51.0) |
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| 235 | self.show_iq(out, pr, q) |
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| 236 | |
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| 237 | def show_shpere(self, x, radius=70.0, x_range=70.0): |
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[7116b6e0] | 238 | """ |
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| 239 | """ |
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[f3d51f6] | 240 | # Show P(r) |
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| 241 | y_true = numpy.zeros(len(x)) |
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| 242 | |
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| 243 | sum_true = 0.0 |
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| 244 | for i in range(len(x)): |
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| 245 | y_true[i] = self.pr_theory(x[i], radius) |
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| 246 | sum_true += y_true[i] |
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| 247 | |
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| 248 | y_true = y_true/sum_true*x_range/len(x) |
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| 249 | |
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| 250 | # Show the theory P(r) |
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[a07e72f] | 251 | new_plot = Data1D(x, y_true) |
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| 252 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
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[f3d51f6] | 253 | new_plot.name = "P_{true}(r)" |
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| 254 | new_plot.xaxis("\\rm{r}", 'A') |
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| 255 | new_plot.yaxis("\\rm{P(r)} ","cm^{-3}") |
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[a3149c5] | 256 | new_plot.id = "P_{true}(r)" |
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| 257 | group_id = "P_{true}(r)" |
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| 258 | if group_id not in new_plot.group_id: |
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| 259 | new_plot.group_id.append(group_id) |
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| 260 | self.parent.append_theory(data_id=self.current_plottable.id, |
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| 261 | theory=new_plot) |
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[f3d51f6] | 262 | #Put this call in plottables/guitools |
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| 263 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="Sphere P(r)")) |
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[75df58b] | 264 | |
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[f3d51f6] | 265 | |
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[b659551] | 266 | def get_npts(self): |
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| 267 | """ |
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[7116b6e0] | 268 | Returns the number of points in the I(q) data |
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[b659551] | 269 | """ |
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| 270 | try: |
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| 271 | return len(self.pr.x) |
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| 272 | except: |
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| 273 | return 0 |
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| 274 | |
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[f3d51f6] | 275 | def show_iq(self, out, pr, q=None): |
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[7116b6e0] | 276 | """ |
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[75df58b] | 277 | """ |
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[f3d51f6] | 278 | qtemp = pr.x |
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| 279 | if not q==None: |
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| 280 | qtemp = q |
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| 281 | |
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| 282 | # Make a plot |
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| 283 | maxq = -1 |
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| 284 | for q_i in qtemp: |
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| 285 | if q_i>maxq: |
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| 286 | maxq=q_i |
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| 287 | |
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[634f1cf] | 288 | minq = 0.001 |
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| 289 | |
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| 290 | # Check for user min/max |
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| 291 | if not pr.q_min==None: |
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| 292 | minq = pr.q_min |
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| 293 | if not pr.q_max==None: |
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| 294 | maxq = pr.q_max |
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| 295 | |
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| 296 | x = pylab.arange(minq, maxq, maxq/301.0) |
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[f3d51f6] | 297 | y = numpy.zeros(len(x)) |
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| 298 | err = numpy.zeros(len(x)) |
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| 299 | for i in range(len(x)): |
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| 300 | value = pr.iq(out, x[i]) |
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| 301 | y[i] = value |
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| 302 | try: |
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| 303 | err[i] = math.sqrt(math.fabs(value)) |
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| 304 | except: |
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| 305 | err[i] = 1.0 |
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| 306 | print "Error getting error", value, x[i] |
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| 307 | |
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[a07e72f] | 308 | new_plot = Data1D(x, y) |
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| 309 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
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[2a92852] | 310 | new_plot.name = IQ_FIT_LABEL |
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[f3d51f6] | 311 | new_plot.xaxis("\\rm{Q}", 'A^{-1}') |
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| 312 | new_plot.yaxis("\\rm{Intensity} ","cm^{-1}") |
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[d2ee6f6] | 313 | title = "I(q)" |
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[a07e72f] | 314 | new_plot.title = title |
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| 315 | |
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[d2ee6f6] | 316 | # If we have a group ID, use it |
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| 317 | if pr.info.has_key("plot_group_id"): |
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[a07e72f] | 318 | if len( pr.info["plot_group_id"]) > 0: |
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| 319 | index = len( pr.info["plot_group_id"]) - 1 |
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| 320 | new_plot.group_id.append( pr.info["plot_group_id"][index]) |
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| 321 | new_plot.id = IQ_FIT_LABEL |
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[a3149c5] | 322 | self.parent.append_theory(data_id=self.current_plottable.id, |
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| 323 | theory=new_plot) |
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[d2ee6f6] | 324 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title)) |
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[f3d51f6] | 325 | |
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[2a92852] | 326 | # If we have used slit smearing, plot the smeared I(q) too |
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| 327 | if pr.slit_width>0 or pr.slit_height>0: |
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| 328 | x = pylab.arange(minq, maxq, maxq/301.0) |
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| 329 | y = numpy.zeros(len(x)) |
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| 330 | err = numpy.zeros(len(x)) |
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| 331 | for i in range(len(x)): |
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| 332 | value = pr.iq_smeared(out, x[i]) |
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| 333 | y[i] = value |
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| 334 | try: |
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| 335 | err[i] = math.sqrt(math.fabs(value)) |
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| 336 | except: |
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| 337 | err[i] = 1.0 |
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| 338 | print "Error getting error", value, x[i] |
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| 339 | |
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[a07e72f] | 340 | new_plot = Data1D(x, y) |
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| 341 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
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[2a92852] | 342 | new_plot.name = IQ_SMEARED_LABEL |
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| 343 | new_plot.xaxis("\\rm{Q}", 'A^{-1}') |
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| 344 | new_plot.yaxis("\\rm{Intensity} ","cm^{-1}") |
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[f0ff8d65] | 345 | # If we have a group ID, use it |
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| 346 | if pr.info.has_key("plot_group_id"): |
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[a07e72f] | 347 | if len( pr.info["plot_group_id"]) > 0: |
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| 348 | index = len( pr.info["plot_group_id"]) - 1 |
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| 349 | new_plot.group_id.append( pr.info["plot_group_id"][index]) |
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| 350 | |
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| 351 | new_plot.id = IQ_SMEARED_LABEL |
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| 352 | new_plot.title = title |
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[a3149c5] | 353 | self.parent.append_theory(data_id=self.current_plottable.id, |
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| 354 | theory=new_plot) |
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[f0ff8d65] | 355 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title)) |
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[2a92852] | 356 | |
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[f3d51f6] | 357 | |
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[b659551] | 358 | def _on_pr_npts(self, evt): |
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| 359 | """ |
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[7116b6e0] | 360 | Redisplay P(r) with a different number of points |
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[b659551] | 361 | """ |
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| 362 | from inversion_panel import PrDistDialog |
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| 363 | dialog = PrDistDialog(None, -1) |
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| 364 | dialog.set_content(self._pr_npts) |
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| 365 | if dialog.ShowModal() == wx.ID_OK: |
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| 366 | self._pr_npts= dialog.get_content() |
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| 367 | dialog.Destroy() |
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[feb21d8] | 368 | self.show_pr(self._last_out, self._last_pr, self._last_cov) |
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[b659551] | 369 | else: |
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| 370 | dialog.Destroy() |
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[f3d51f6] | 371 | |
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| 372 | |
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| 373 | def show_pr(self, out, pr, cov=None): |
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[7116b6e0] | 374 | """ |
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[75df58b] | 375 | """ |
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[f3d51f6] | 376 | # Show P(r) |
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[b659551] | 377 | x = pylab.arange(0.0, pr.d_max, pr.d_max/self._pr_npts) |
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[f3d51f6] | 378 | |
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| 379 | y = numpy.zeros(len(x)) |
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| 380 | dy = numpy.zeros(len(x)) |
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| 381 | y_true = numpy.zeros(len(x)) |
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| 382 | |
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| 383 | sum = 0.0 |
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[feb21d8] | 384 | pmax = 0.0 |
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[dfb58f8] | 385 | cov2 = numpy.ascontiguousarray(cov) |
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| 386 | |
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[f3d51f6] | 387 | for i in range(len(x)): |
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[dfb58f8] | 388 | if cov2==None: |
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[f3d51f6] | 389 | value = pr.pr(out, x[i]) |
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| 390 | else: |
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[dfb58f8] | 391 | (value, dy[i]) = pr.pr_err(out, cov2, x[i]) |
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[660b1e6] | 392 | sum += value*pr.d_max/len(x) |
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[f3d51f6] | 393 | |
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[feb21d8] | 394 | # keep track of the maximum P(r) value |
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| 395 | if value>pmax: |
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| 396 | pmax = value |
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| 397 | |
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| 398 | y[i] = value |
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| 399 | |
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| 400 | if self._normalize_output==True: |
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| 401 | y = y/sum |
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| 402 | dy = dy/sum |
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| 403 | elif self._scale_output_unity==True: |
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| 404 | y = y/pmax |
---|
| 405 | dy = dy/pmax |
---|
[f3d51f6] | 406 | |
---|
[dfb58f8] | 407 | if cov2==None: |
---|
[a07e72f] | 408 | new_plot = Data1D(x, y) |
---|
| 409 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
---|
[f3d51f6] | 410 | else: |
---|
[a07e72f] | 411 | new_plot = Data1D(x, y, dy=dy) |
---|
[f1181977] | 412 | new_plot.name = PR_FIT_LABEL |
---|
[f3d51f6] | 413 | new_plot.xaxis("\\rm{r}", 'A') |
---|
| 414 | new_plot.yaxis("\\rm{P(r)} ","cm^{-3}") |
---|
[75df58b] | 415 | new_plot.title = "P(r) fit" |
---|
[a07e72f] | 416 | new_plot.id = PR_FIT_LABEL |
---|
[d2ee6f6] | 417 | # Make sure that the plot is linear |
---|
[75fbd17] | 418 | new_plot.xtransform = "x" |
---|
[a3149c5] | 419 | new_plot.ytransform = "y" |
---|
| 420 | group_id = "P(r) fit" |
---|
| 421 | if group_id not in new_plot.group_id: |
---|
| 422 | new_plot.group_id.append(group_id) |
---|
| 423 | self.parent.append_theory(data_id=self.current_plottable.id, |
---|
| 424 | theory=new_plot) |
---|
[f3d51f6] | 425 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="P(r) fit")) |
---|
| 426 | |
---|
| 427 | return x, pr.d_max |
---|
| 428 | |
---|
| 429 | |
---|
[75df58b] | 430 | def load(self, data): |
---|
[0bae207] | 431 | """ |
---|
[7116b6e0] | 432 | Load data. This will eventually be replaced |
---|
| 433 | by our standard DataLoader class. |
---|
[0bae207] | 434 | """ |
---|
| 435 | class FileData: |
---|
| 436 | x = None |
---|
| 437 | y = None |
---|
| 438 | err = None |
---|
| 439 | path = None |
---|
| 440 | |
---|
| 441 | def __init__(self, path): |
---|
| 442 | self.path = path |
---|
| 443 | |
---|
[75df58b] | 444 | self._current_file_data = FileData(data.path) |
---|
[0bae207] | 445 | |
---|
[aab8ad7] | 446 | # Use data loader to load file |
---|
[75df58b] | 447 | #dataread = Loader().load(path) |
---|
| 448 | dataread = data |
---|
[ceaf16e] | 449 | # Notify the user if we could not read the file |
---|
| 450 | if dataread is None: |
---|
| 451 | raise RuntimeError, "Invalid data" |
---|
| 452 | |
---|
[aab8ad7] | 453 | x = None |
---|
| 454 | y = None |
---|
| 455 | err = None |
---|
| 456 | if dataread.__class__.__name__ == 'Data1D': |
---|
| 457 | x = dataread.x |
---|
| 458 | y = dataread.y |
---|
| 459 | err = dataread.dy |
---|
| 460 | else: |
---|
[e43c012] | 461 | if isinstance(dataread, list) and len(dataread)>0: |
---|
| 462 | x = dataread[0].x |
---|
| 463 | y = dataread[0].y |
---|
| 464 | err = dataread[0].dy |
---|
| 465 | msg = "PrView only allows a single data set at a time. " |
---|
| 466 | msg += "Only the first data set was loaded." |
---|
| 467 | wx.PostEvent(self.parent, StatusEvent(status=msg)) |
---|
| 468 | else: |
---|
[6f1f129] | 469 | if dataread is None: |
---|
| 470 | return x, y, err |
---|
[e43c012] | 471 | raise RuntimeError, "This tool can only read 1D data" |
---|
[aab8ad7] | 472 | |
---|
[0bae207] | 473 | self._current_file_data.x = x |
---|
| 474 | self._current_file_data.y = y |
---|
| 475 | self._current_file_data.err = err |
---|
| 476 | return x, y, err |
---|
| 477 | |
---|
| 478 | def load_columns(self, path = "sphere_60_q0_2.txt"): |
---|
| 479 | """ |
---|
[7116b6e0] | 480 | Load 2- or 3- column ascii |
---|
[0bae207] | 481 | """ |
---|
[f3d51f6] | 482 | import numpy, math, sys |
---|
| 483 | # Read the data from the data file |
---|
| 484 | data_x = numpy.zeros(0) |
---|
| 485 | data_y = numpy.zeros(0) |
---|
| 486 | data_err = numpy.zeros(0) |
---|
[b659551] | 487 | scale = None |
---|
| 488 | min_err = 0.0 |
---|
[f3d51f6] | 489 | if not path == None: |
---|
| 490 | input_f = open(path,'r') |
---|
| 491 | buff = input_f.read() |
---|
| 492 | lines = buff.split('\n') |
---|
| 493 | for line in lines: |
---|
| 494 | try: |
---|
| 495 | toks = line.split() |
---|
| 496 | x = float(toks[0]) |
---|
| 497 | y = float(toks[1]) |
---|
[b659551] | 498 | if len(toks)>2: |
---|
| 499 | err = float(toks[2]) |
---|
| 500 | else: |
---|
| 501 | if scale==None: |
---|
| 502 | scale = 0.05*math.sqrt(y) |
---|
| 503 | #scale = 0.05/math.sqrt(y) |
---|
| 504 | min_err = 0.01*y |
---|
| 505 | err = scale*math.sqrt(y)+min_err |
---|
| 506 | #err = 0 |
---|
| 507 | |
---|
[4a5de6f] | 508 | data_x = numpy.append(data_x, x) |
---|
| 509 | data_y = numpy.append(data_y, y) |
---|
[b659551] | 510 | data_err = numpy.append(data_err, err) |
---|
[f3d51f6] | 511 | except: |
---|
[b659551] | 512 | pass |
---|
[f3d51f6] | 513 | |
---|
[357b79b] | 514 | if not scale==None: |
---|
| 515 | message = "The loaded file had no error bars, statistical errors are assumed." |
---|
| 516 | wx.PostEvent(self.parent, StatusEvent(status=message)) |
---|
| 517 | else: |
---|
| 518 | wx.PostEvent(self.parent, StatusEvent(status='')) |
---|
| 519 | |
---|
[b659551] | 520 | return data_x, data_y, data_err |
---|
[f3d51f6] | 521 | |
---|
[0bae207] | 522 | def load_abs(self, path): |
---|
| 523 | """ |
---|
[7116b6e0] | 524 | Load an IGOR .ABS reduced file |
---|
| 525 | |
---|
| 526 | :param path: file path |
---|
| 527 | |
---|
| 528 | :return: x, y, err vectors |
---|
| 529 | |
---|
[0bae207] | 530 | """ |
---|
| 531 | import numpy, math, sys |
---|
| 532 | # Read the data from the data file |
---|
| 533 | data_x = numpy.zeros(0) |
---|
| 534 | data_y = numpy.zeros(0) |
---|
| 535 | data_err = numpy.zeros(0) |
---|
| 536 | scale = None |
---|
| 537 | min_err = 0.0 |
---|
| 538 | |
---|
| 539 | data_started = False |
---|
| 540 | if not path == None: |
---|
| 541 | input_f = open(path,'r') |
---|
| 542 | buff = input_f.read() |
---|
| 543 | lines = buff.split('\n') |
---|
| 544 | for line in lines: |
---|
| 545 | if data_started==True: |
---|
| 546 | try: |
---|
| 547 | toks = line.split() |
---|
| 548 | x = float(toks[0]) |
---|
| 549 | y = float(toks[1]) |
---|
| 550 | if len(toks)>2: |
---|
| 551 | err = float(toks[2]) |
---|
| 552 | else: |
---|
| 553 | if scale==None: |
---|
| 554 | scale = 0.05*math.sqrt(y) |
---|
| 555 | #scale = 0.05/math.sqrt(y) |
---|
| 556 | min_err = 0.01*y |
---|
| 557 | err = scale*math.sqrt(y)+min_err |
---|
| 558 | #err = 0 |
---|
| 559 | |
---|
| 560 | data_x = numpy.append(data_x, x) |
---|
| 561 | data_y = numpy.append(data_y, y) |
---|
| 562 | data_err = numpy.append(data_err, err) |
---|
| 563 | except: |
---|
| 564 | pass |
---|
| 565 | elif line.find("The 6 columns")>=0: |
---|
| 566 | data_started = True |
---|
| 567 | |
---|
| 568 | if not scale==None: |
---|
| 569 | message = "The loaded file had no error bars, statistical errors are assumed." |
---|
| 570 | wx.PostEvent(self.parent, StatusEvent(status=message)) |
---|
| 571 | else: |
---|
| 572 | wx.PostEvent(self.parent, StatusEvent(status='')) |
---|
| 573 | |
---|
| 574 | return data_x, data_y, data_err |
---|
| 575 | |
---|
[f3d51f6] | 576 | def pr_theory(self, r, R): |
---|
[7116b6e0] | 577 | """ |
---|
[f3d51f6] | 578 | """ |
---|
| 579 | if r<=2*R: |
---|
| 580 | return 12.0* ((0.5*r/R)**2) * ((1.0-0.5*r/R)**2) * ( 2.0 + 0.5*r/R ) |
---|
| 581 | else: |
---|
| 582 | return 0.0 |
---|
| 583 | |
---|
[a07e72f] | 584 | def get_context_menu(self, plotpanel=None): |
---|
[f3d51f6] | 585 | """ |
---|
[7116b6e0] | 586 | Get the context menu items available for P(r) |
---|
| 587 | |
---|
| 588 | :param graph: the Graph object to which we attach the context menu |
---|
| 589 | |
---|
| 590 | :return: a list of menu items with call-back function |
---|
| 591 | |
---|
[f3d51f6] | 592 | """ |
---|
[a07e72f] | 593 | graph = plotpanel.graph |
---|
[660b1e6] | 594 | # Look whether this Graph contains P(r) data |
---|
[a07e72f] | 595 | if graph.selected_plottable not in plotpanel.plots: |
---|
| 596 | return [] |
---|
| 597 | item = plotpanel.plots[graph.selected_plottable] |
---|
| 598 | if item.id == PR_FIT_LABEL: |
---|
| 599 | #add_data_hint = "Load a data file and display it on this plot" |
---|
| 600 | #["Add P(r) data",add_data_hint , self._on_add_data], |
---|
| 601 | change_n_hint = "Change the number of" |
---|
| 602 | change_n_hint += " points on the P(r) output" |
---|
| 603 | change_n_label = "Change number of P(r) points" |
---|
| 604 | m_list = [[change_n_label, change_n_hint , self._on_pr_npts]] |
---|
[feb21d8] | 605 | |
---|
[a07e72f] | 606 | if self._scale_output_unity or self._normalize_output: |
---|
| 607 | hint = "Let the output P(r) keep the scale of the data" |
---|
| 608 | m_list.append(["Disable P(r) scaling", hint, |
---|
| 609 | self._on_disable_scaling]) |
---|
| 610 | if not self._scale_output_unity: |
---|
| 611 | m_list.append(["Scale P_max(r) to unity", |
---|
| 612 | "Scale P(r) so that its maximum is 1", |
---|
| 613 | self._on_scale_unity]) |
---|
| 614 | if not self._normalize_output: |
---|
| 615 | m_list.append(["Normalize P(r) to unity", |
---|
| 616 | "Normalize the integral of P(r) to 1", |
---|
| 617 | self._on_normalize]) |
---|
| 618 | |
---|
| 619 | return m_list |
---|
| 620 | |
---|
| 621 | elif item.id in [PR_LOADED_LABEL, IQ_DATA_LABEL, IQ_FIT_LABEL, |
---|
| 622 | IQ_SMEARED_LABEL]: |
---|
| 623 | return [] |
---|
| 624 | elif item.id == graph.selected_plottable: |
---|
| 625 | if not self.standalone and issubclass(item.__class__, Data1D): |
---|
| 626 | return [["Compute P(r)", |
---|
[75df58b] | 627 | "Compute P(r) from distribution", |
---|
| 628 | self._on_context_inversion]] |
---|
[660b1e6] | 629 | |
---|
[aa4b8379] | 630 | return [] |
---|
[660b1e6] | 631 | |
---|
[feb21d8] | 632 | def _on_disable_scaling(self, evt): |
---|
| 633 | """ |
---|
[7116b6e0] | 634 | Disable P(r) scaling |
---|
| 635 | |
---|
| 636 | :param evt: Menu event |
---|
| 637 | |
---|
[feb21d8] | 638 | """ |
---|
| 639 | self._normalize_output = False |
---|
| 640 | self._scale_output_unity = False |
---|
| 641 | self.show_pr(self._last_out, self._last_pr, self._last_cov) |
---|
| 642 | |
---|
[f1181977] | 643 | # Now replot the original added data |
---|
| 644 | for plot in self._added_plots: |
---|
| 645 | self._added_plots[plot].y = numpy.copy(self._default_Iq[plot]) |
---|
[75df58b] | 646 | wx.PostEvent(self.parent, |
---|
| 647 | NewPlotEvent(plot=self._added_plots[plot], |
---|
| 648 | title=self._added_plots[plot].name, |
---|
[f1181977] | 649 | update=True)) |
---|
| 650 | |
---|
| 651 | # Need the update flag in the NewPlotEvent to protect against |
---|
| 652 | # the plot no longer being there... |
---|
| 653 | |
---|
[feb21d8] | 654 | def _on_normalize(self, evt): |
---|
| 655 | """ |
---|
[7116b6e0] | 656 | Normalize the area under the P(r) curve to 1. |
---|
| 657 | This operation is done for all displayed plots. |
---|
| 658 | |
---|
| 659 | :param evt: Menu event |
---|
| 660 | |
---|
[feb21d8] | 661 | """ |
---|
| 662 | self._normalize_output = True |
---|
| 663 | self._scale_output_unity = False |
---|
| 664 | |
---|
| 665 | self.show_pr(self._last_out, self._last_pr, self._last_cov) |
---|
| 666 | |
---|
[f1181977] | 667 | # Now scale the added plots too |
---|
| 668 | for plot in self._added_plots: |
---|
| 669 | sum = numpy.sum(self._added_plots[plot].y) |
---|
| 670 | npts = len(self._added_plots[plot].x) |
---|
| 671 | sum *= self._added_plots[plot].x[npts-1]/npts |
---|
| 672 | y = self._added_plots[plot].y/sum |
---|
| 673 | |
---|
[a07e72f] | 674 | new_plot = Data1D(self._added_plots[plot].x, y) |
---|
| 675 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
---|
| 676 | index = len(self._added_plots[plot].group_id) - 1 |
---|
| 677 | if group_id not in new_plot.group_id: |
---|
| 678 | new_plot.group_id.append(group_id) |
---|
| 679 | new_plot.id = self._added_plots[plot].id |
---|
| 680 | new_plot.title = self._added_plots[plot].title |
---|
[f1181977] | 681 | new_plot.name = self._added_plots[plot].name |
---|
| 682 | new_plot.xaxis("\\rm{r}", 'A') |
---|
| 683 | new_plot.yaxis("\\rm{P(r)} ","cm^{-3}") |
---|
[a3149c5] | 684 | self.parent.append_theory(data_id=self.current_plottable.id, |
---|
| 685 | theory=new_plot) |
---|
[75df58b] | 686 | wx.PostEvent(self.parent, |
---|
| 687 | NewPlotEvent(plot=new_plot, update=True, |
---|
| 688 | title=self._added_plots[plot].name)) |
---|
[f1181977] | 689 | |
---|
[feb21d8] | 690 | def _on_scale_unity(self, evt): |
---|
| 691 | """ |
---|
[7116b6e0] | 692 | Scale the maximum P(r) value on each displayed plot to 1. |
---|
| 693 | |
---|
| 694 | :param evt: Menu event |
---|
| 695 | |
---|
[feb21d8] | 696 | """ |
---|
| 697 | self._scale_output_unity = True |
---|
| 698 | self._normalize_output = False |
---|
| 699 | |
---|
| 700 | self.show_pr(self._last_out, self._last_pr, self._last_cov) |
---|
| 701 | |
---|
[f1181977] | 702 | # Now scale the added plots too |
---|
| 703 | for plot in self._added_plots: |
---|
| 704 | _max = 0 |
---|
| 705 | for y in self._added_plots[plot].y: |
---|
| 706 | if y>_max: |
---|
| 707 | _max = y |
---|
| 708 | y = self._added_plots[plot].y/_max |
---|
| 709 | |
---|
[a07e72f] | 710 | new_plot = Data1D(self._added_plots[plot].x, y) |
---|
| 711 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
---|
[f1181977] | 712 | new_plot.name = self._added_plots[plot].name |
---|
| 713 | new_plot.xaxis("\\rm{r}", 'A') |
---|
| 714 | new_plot.yaxis("\\rm{P(r)} ","cm^{-3}") |
---|
[a3149c5] | 715 | self.parent.append_theory(data_id=self.current_plottable.id, |
---|
| 716 | theory=new_plot) |
---|
[75df58b] | 717 | wx.PostEvent(self.parent, |
---|
| 718 | NewPlotEvent(plot=new_plot, update=True, |
---|
| 719 | title=self._added_plots[plot].name)) |
---|
[f1181977] | 720 | |
---|
| 721 | |
---|
[660b1e6] | 722 | def _on_add_data(self, evt): |
---|
| 723 | """ |
---|
[7116b6e0] | 724 | Add a data curve to the plot |
---|
| 725 | |
---|
| 726 | :WARNING: this will be removed once guiframe.plotting has |
---|
| 727 | its full functionality |
---|
[660b1e6] | 728 | """ |
---|
| 729 | path = self.choose_file() |
---|
| 730 | if path==None: |
---|
| 731 | return |
---|
| 732 | |
---|
[14d05ba] | 733 | #x, y, err = self.parent.load_ascii_1D(path) |
---|
| 734 | # Use data loader to load file |
---|
| 735 | try: |
---|
| 736 | dataread = Loader().load(path) |
---|
| 737 | x = None |
---|
| 738 | y = None |
---|
| 739 | err = None |
---|
| 740 | if dataread.__class__.__name__ == 'Data1D': |
---|
| 741 | x = dataread.x |
---|
| 742 | y = dataread.y |
---|
| 743 | err = dataread.dy |
---|
| 744 | else: |
---|
[e43c012] | 745 | if isinstance(dataread, list) and len(dataread)>0: |
---|
| 746 | x = dataread[0].x |
---|
| 747 | y = dataread[0].y |
---|
| 748 | err = dataread[0].dy |
---|
| 749 | msg = "PrView only allows a single data set at a time. " |
---|
| 750 | msg += "Only the first data set was loaded." |
---|
| 751 | wx.PostEvent(self.parent, StatusEvent(status=msg)) |
---|
| 752 | else: |
---|
[75df58b] | 753 | msg = "This tool can only read 1D data" |
---|
| 754 | wx.PostEvent(self.parent, StatusEvent(status=msg)) |
---|
[e43c012] | 755 | return |
---|
| 756 | |
---|
[14d05ba] | 757 | except: |
---|
| 758 | wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value)) |
---|
| 759 | return |
---|
[660b1e6] | 760 | |
---|
[f1181977] | 761 | filename = os.path.basename(path) |
---|
[a07e72f] | 762 | |
---|
| 763 | new_plot = Data1D(x, y) |
---|
| 764 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
---|
[f1181977] | 765 | new_plot.name = filename |
---|
[660b1e6] | 766 | new_plot.xaxis("\\rm{r}", 'A') |
---|
| 767 | new_plot.yaxis("\\rm{P(r)} ","cm^{-3}") |
---|
| 768 | |
---|
[f1181977] | 769 | # Store a ref to the plottable for later use |
---|
| 770 | self._added_plots[filename] = new_plot |
---|
| 771 | self._default_Iq[filename] = numpy.copy(y) |
---|
| 772 | |
---|
| 773 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=filename)) |
---|
[660b1e6] | 774 | |
---|
| 775 | |
---|
[f3d51f6] | 776 | |
---|
| 777 | def start_thread(self): |
---|
[7116b6e0] | 778 | """ |
---|
| 779 | """ |
---|
[f3d51f6] | 780 | from pr_thread import CalcPr |
---|
| 781 | from copy import deepcopy |
---|
| 782 | |
---|
| 783 | # If a thread is already started, stop it |
---|
| 784 | if self.calc_thread != None and self.calc_thread.isrunning(): |
---|
| 785 | self.calc_thread.stop() |
---|
| 786 | |
---|
| 787 | pr = self.pr.clone() |
---|
[75df58b] | 788 | self.calc_thread = CalcPr(pr, self.nfunc, |
---|
| 789 | error_func=self._thread_error, |
---|
| 790 | completefn=self._completed, updatefn=None) |
---|
[f3d51f6] | 791 | self.calc_thread.queue() |
---|
| 792 | self.calc_thread.ready(2.5) |
---|
| 793 | |
---|
| 794 | def _thread_error(self, error): |
---|
[7116b6e0] | 795 | """ |
---|
| 796 | """ |
---|
[f3d51f6] | 797 | wx.PostEvent(self.parent, StatusEvent(status=error)) |
---|
| 798 | |
---|
[32dffae4] | 799 | def _estimate_completed(self, alpha, message, elapsed): |
---|
[f3d51f6] | 800 | """ |
---|
[7116b6e0] | 801 | Parameter estimation completed, |
---|
| 802 | display the results to the user |
---|
| 803 | |
---|
| 804 | :param alpha: estimated best alpha |
---|
| 805 | :param elapsed: computation time |
---|
| 806 | |
---|
[f3d51f6] | 807 | """ |
---|
| 808 | # Save useful info |
---|
| 809 | self.elapsed = elapsed |
---|
| 810 | self.control_panel.alpha_estimate = alpha |
---|
[32dffae4] | 811 | if not message==None: |
---|
| 812 | wx.PostEvent(self.parent, StatusEvent(status=str(message))) |
---|
[35adaf6] | 813 | |
---|
| 814 | self.perform_estimateNT() |
---|
| 815 | |
---|
| 816 | |
---|
| 817 | |
---|
| 818 | def _estimateNT_completed(self, nterms, alpha, message, elapsed): |
---|
| 819 | """ |
---|
[7116b6e0] | 820 | Parameter estimation completed, |
---|
| 821 | display the results to the user |
---|
| 822 | |
---|
| 823 | :param alpha: estimated best alpha |
---|
| 824 | :param nterms: estimated number of terms |
---|
| 825 | :param elapsed: computation time |
---|
| 826 | |
---|
[35adaf6] | 827 | """ |
---|
| 828 | # Save useful info |
---|
| 829 | self.elapsed = elapsed |
---|
| 830 | self.control_panel.nterms_estimate = nterms |
---|
| 831 | self.control_panel.alpha_estimate = alpha |
---|
| 832 | if not message==None: |
---|
| 833 | wx.PostEvent(self.parent, StatusEvent(status=str(message))) |
---|
[f3d51f6] | 834 | |
---|
| 835 | def _completed(self, out, cov, pr, elapsed): |
---|
| 836 | """ |
---|
[7116b6e0] | 837 | Method called with the results when the inversion |
---|
| 838 | is done |
---|
| 839 | |
---|
| 840 | :param out: output coefficient for the base functions |
---|
| 841 | :param cov: covariance matrix |
---|
| 842 | :param pr: Invertor instance |
---|
| 843 | :param elapsed: time spent computing |
---|
| 844 | |
---|
[f3d51f6] | 845 | """ |
---|
[dfb58f8] | 846 | from copy import deepcopy |
---|
[f3d51f6] | 847 | # Save useful info |
---|
| 848 | self.elapsed = elapsed |
---|
[feb21d8] | 849 | # Keep a copy of the last result |
---|
| 850 | self._last_pr = pr.clone() |
---|
| 851 | self._last_out = out |
---|
| 852 | self._last_cov = cov |
---|
| 853 | |
---|
[b659551] | 854 | # Save Pr invertor |
---|
| 855 | self.pr = pr |
---|
| 856 | |
---|
[75df58b] | 857 | #message = "Computation completed in" |
---|
| 858 | #message += %g seconds [chi2=%g]" % (elapsed, pr.chi2) |
---|
[d6113849] | 859 | #wx.PostEvent(self.parent, StatusEvent(status=message)) |
---|
[f3d51f6] | 860 | |
---|
[dfb58f8] | 861 | cov = numpy.ascontiguousarray(cov) |
---|
| 862 | |
---|
[f3d51f6] | 863 | # Show result on control panel |
---|
| 864 | self.control_panel.chi2 = pr.chi2 |
---|
| 865 | self.control_panel.elapsed = elapsed |
---|
| 866 | self.control_panel.oscillation = pr.oscillations(out) |
---|
| 867 | #print "OSCILL", pr.oscillations(out) |
---|
[d6113849] | 868 | #print "PEAKS:", pr.get_peaks(out) |
---|
[dfb58f8] | 869 | self.control_panel.positive = pr.get_positive(out) |
---|
| 870 | self.control_panel.pos_err = pr.get_pos_err(out, cov) |
---|
[a4bd2ac] | 871 | self.control_panel.rg = pr.rg(out) |
---|
| 872 | self.control_panel.iq0 = pr.iq0(out) |
---|
| 873 | self.control_panel.bck = pr.background |
---|
[f3d51f6] | 874 | |
---|
[aa4b8379] | 875 | if False: |
---|
[0bae207] | 876 | for i in range(len(out)): |
---|
| 877 | try: |
---|
[75df58b] | 878 | print "%d: %g +- %g" % (i, out[i], |
---|
| 879 | math.sqrt(math.fabs(cov[i][i]))) |
---|
[0bae207] | 880 | except: |
---|
| 881 | print sys.exc_value |
---|
| 882 | print "%d: %g +- ?" % (i, out[i]) |
---|
| 883 | |
---|
| 884 | # Make a plot of I(q) data |
---|
[aa4b8379] | 885 | new_plot = Data1D(self.pr.x, self.pr.y, dy=self.pr.err) |
---|
[f1181977] | 886 | new_plot.name = IQ_DATA_LABEL |
---|
[aa4b8379] | 887 | new_plot.xaxis("\\rm{Q}", 'A^{-1}') |
---|
| 888 | new_plot.yaxis("\\rm{Intensity} ","cm^{-1}") |
---|
[a07e72f] | 889 | if pr.info.has_key("plot_group_id"): |
---|
| 890 | new_plot.group_id.append(pr.info["plot_group_id"]) |
---|
| 891 | new_plot.id = IQ_DATA_LABEL |
---|
[a3149c5] | 892 | self.parent.append_theory(data_id=self.current_plottable.id, |
---|
| 893 | theory=new_plot) |
---|
[aa4b8379] | 894 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="Iq")) |
---|
[f3d51f6] | 895 | |
---|
| 896 | # Show I(q) fit |
---|
| 897 | self.show_iq(out, self.pr) |
---|
| 898 | |
---|
| 899 | # Show P(r) fit |
---|
[dfb58f8] | 900 | x_values, x_range = self.show_pr(out, self.pr, cov) |
---|
[f3d51f6] | 901 | |
---|
| 902 | # Popup result panel |
---|
[75df58b] | 903 | #result_panel = InversionResults(self.parent, |
---|
| 904 | #-1, style=wx.RAISED_BORDER) |
---|
[f3d51f6] | 905 | |
---|
[75df58b] | 906 | def show_data(self, path=None, data=None, reset=False): |
---|
[2a92852] | 907 | """ |
---|
[7116b6e0] | 908 | Show data read from a file |
---|
| 909 | |
---|
| 910 | :param path: file path |
---|
| 911 | :param reset: if True all other plottables will be cleared |
---|
| 912 | |
---|
[2a92852] | 913 | """ |
---|
[75df58b] | 914 | #if path is not None: |
---|
| 915 | if data is not None: |
---|
[ea5551f] | 916 | try: |
---|
[75df58b] | 917 | pr = self._create_file_pr(data) |
---|
[ceaf16e] | 918 | except: |
---|
[75df58b] | 919 | status = "Problem reading data: %s" % sys.exc_value |
---|
[ceaf16e] | 920 | wx.PostEvent(self.parent, StatusEvent(status=status)) |
---|
| 921 | raise RuntimeError, status |
---|
[6f1f129] | 922 | |
---|
[ceaf16e] | 923 | # If the file contains nothing, just return |
---|
| 924 | if pr is None: |
---|
| 925 | raise RuntimeError, "Loaded data is invalid" |
---|
| 926 | |
---|
| 927 | self.pr = pr |
---|
[75df58b] | 928 | |
---|
[660b1e6] | 929 | # Make a plot of I(q) data |
---|
[a07e72f] | 930 | if self.pr.err == None: |
---|
| 931 | new_plot = Data1D(self.pr.x, self.pr.y) |
---|
| 932 | new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM |
---|
[357b79b] | 933 | else: |
---|
| 934 | new_plot = Data1D(self.pr.x, self.pr.y, dy=self.pr.err) |
---|
[f1181977] | 935 | new_plot.name = IQ_DATA_LABEL |
---|
[660b1e6] | 936 | new_plot.xaxis("\\rm{Q}", 'A^{-1}') |
---|
| 937 | new_plot.yaxis("\\rm{Intensity} ","cm^{-1}") |
---|
[aa4b8379] | 938 | new_plot.interactive = True |
---|
[a07e72f] | 939 | new_plot.group_id.append(IQ_DATA_LABEL) |
---|
| 940 | new_plot.id = IQ_DATA_LABEL |
---|
| 941 | new_plot.title = "I(q)" |
---|
[a3149c5] | 942 | self.parent.append_theory(data_id=self.current_plottable.id, |
---|
| 943 | theory=new_plot) |
---|
[75df58b] | 944 | wx.PostEvent(self.parent, |
---|
| 945 | NewPlotEvent(plot=new_plot, title="I(q)", reset=reset)) |
---|
[660b1e6] | 946 | |
---|
[0d88a09] | 947 | self.current_plottable = new_plot |
---|
[aa4b8379] | 948 | # Get Q range |
---|
| 949 | self.control_panel.q_min = self.pr.x.min() |
---|
| 950 | self.control_panel.q_max = self.pr.x.max() |
---|
| 951 | |
---|
[410aad8] | 952 | def save_data(self, filepath, prstate=None): |
---|
| 953 | """ |
---|
[7116b6e0] | 954 | Save data in provided state object. |
---|
| 955 | |
---|
| 956 | :TODO: move the state code away from inversion_panel and move it here. |
---|
| 957 | Then remove the "prstate" input and make this method private. |
---|
| 958 | |
---|
| 959 | :param filepath: path of file to write to |
---|
| 960 | :param prstate: P(r) inversion state |
---|
| 961 | |
---|
[410aad8] | 962 | """ |
---|
| 963 | #TODO: do we need this or can we use DataLoader.loader.save directly? |
---|
| 964 | |
---|
| 965 | # Add output data and coefficients to state |
---|
| 966 | prstate.coefficients = self._last_out |
---|
| 967 | prstate.covariance = self._last_cov |
---|
| 968 | |
---|
| 969 | # Write the output to file |
---|
[0ab485b] | 970 | # First, check that the data is of the right type |
---|
[75df58b] | 971 | if issubclass(self.current_plottable.__class__, |
---|
| 972 | DataLoader.data_info.Data1D): |
---|
[0ab485b] | 973 | self.state_reader.write(filepath, self.current_plottable, prstate) |
---|
| 974 | else: |
---|
[75df58b] | 975 | msg = "pr.save_data: the data being saved is not a" |
---|
| 976 | msg += " DataLoader.data_info.Data1D object" |
---|
| 977 | raise RuntimeError, msg |
---|
[410aad8] | 978 | |
---|
[660b1e6] | 979 | |
---|
[2a92852] | 980 | def setup_plot_inversion(self, alpha, nfunc, d_max, q_min=None, q_max=None, |
---|
| 981 | bck=False, height=0, width=0): |
---|
[7116b6e0] | 982 | """ |
---|
| 983 | """ |
---|
[f3d51f6] | 984 | self.alpha = alpha |
---|
| 985 | self.nfunc = nfunc |
---|
| 986 | self.max_length = d_max |
---|
[634f1cf] | 987 | self.q_min = q_min |
---|
| 988 | self.q_max = q_max |
---|
[a4bd2ac] | 989 | self.has_bck = bck |
---|
[2a92852] | 990 | self.slit_height = height |
---|
| 991 | self.slit_width = width |
---|
[f3d51f6] | 992 | |
---|
[4a5de6f] | 993 | try: |
---|
[2a92852] | 994 | pr = self._create_plot_pr() |
---|
| 995 | if not pr==None: |
---|
| 996 | self.pr = pr |
---|
| 997 | self.perform_inversion() |
---|
[4a5de6f] | 998 | except: |
---|
| 999 | wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value)) |
---|
[f3d51f6] | 1000 | |
---|
[75df58b] | 1001 | def estimate_plot_inversion(self, alpha, nfunc, d_max, |
---|
| 1002 | q_min=None, q_max=None, |
---|
[2a92852] | 1003 | bck=False, height=0, width=0): |
---|
[7116b6e0] | 1004 | """ |
---|
| 1005 | """ |
---|
[f3d51f6] | 1006 | self.alpha = alpha |
---|
| 1007 | self.nfunc = nfunc |
---|
| 1008 | self.max_length = d_max |
---|
[634f1cf] | 1009 | self.q_min = q_min |
---|
| 1010 | self.q_max = q_max |
---|
[a4bd2ac] | 1011 | self.has_bck = bck |
---|
[2a92852] | 1012 | self.slit_height = height |
---|
| 1013 | self.slit_width = width |
---|
[f3d51f6] | 1014 | |
---|
[4a5de6f] | 1015 | try: |
---|
[2a92852] | 1016 | pr = self._create_plot_pr() |
---|
| 1017 | if not pr==None: |
---|
| 1018 | self.pr = pr |
---|
| 1019 | self.perform_estimate() |
---|
[4a5de6f] | 1020 | except: |
---|
| 1021 | wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value)) |
---|
[f3d51f6] | 1022 | |
---|
[2a92852] | 1023 | def _create_plot_pr(self, estimate=False): |
---|
[f3d51f6] | 1024 | """ |
---|
[7116b6e0] | 1025 | Create and prepare invertor instance from |
---|
| 1026 | a plottable data set. |
---|
| 1027 | |
---|
| 1028 | :param path: path of the file to read in |
---|
| 1029 | |
---|
[f3d51f6] | 1030 | """ |
---|
[ceaf16e] | 1031 | # Sanity check |
---|
| 1032 | if self.current_plottable is None: |
---|
| 1033 | msg = "Please load a valid data set before proceeding." |
---|
| 1034 | wx.PostEvent(self.parent, StatusEvent(status=msg)) |
---|
| 1035 | return None |
---|
| 1036 | |
---|
[f3d51f6] | 1037 | # Get the data from the chosen data set and perform inversion |
---|
| 1038 | pr = Invertor() |
---|
| 1039 | pr.d_max = self.max_length |
---|
| 1040 | pr.alpha = self.alpha |
---|
[634f1cf] | 1041 | pr.q_min = self.q_min |
---|
| 1042 | pr.q_max = self.q_max |
---|
[f3d51f6] | 1043 | pr.x = self.current_plottable.x |
---|
| 1044 | pr.y = self.current_plottable.y |
---|
[a4bd2ac] | 1045 | pr.has_bck = self.has_bck |
---|
[2a92852] | 1046 | pr.slit_height = self.slit_height |
---|
| 1047 | pr.slit_width = self.slit_width |
---|
[f3d51f6] | 1048 | |
---|
[d2ee6f6] | 1049 | # Keep track of the plot window title to ensure that |
---|
| 1050 | # we can overlay the plots |
---|
[a07e72f] | 1051 | if self.current_plottable.group_id: |
---|
| 1052 | index = len(self.current_plottable.group_id) - 1 |
---|
| 1053 | group_id = self.current_plottable.group_id[index] |
---|
[d2ee6f6] | 1054 | pr.info["plot_group_id"] = self.current_plottable.group_id |
---|
| 1055 | |
---|
[f3d51f6] | 1056 | # Fill in errors if none were provided |
---|
[d2ee6f6] | 1057 | err = self.current_plottable.dy |
---|
| 1058 | all_zeros = True |
---|
| 1059 | if err == None: |
---|
[d483799] | 1060 | err = numpy.zeros(len(pr.y)) |
---|
[d2ee6f6] | 1061 | else: |
---|
| 1062 | for i in range(len(err)): |
---|
| 1063 | if err[i]>0: |
---|
| 1064 | all_zeros = False |
---|
| 1065 | |
---|
| 1066 | if all_zeros: |
---|
| 1067 | scale = None |
---|
| 1068 | min_err = 0.0 |
---|
[f3d51f6] | 1069 | for i in range(len(pr.y)): |
---|
[d2ee6f6] | 1070 | # Scale the error so that we can fit over several decades of Q |
---|
| 1071 | if scale==None: |
---|
| 1072 | scale = 0.05*math.sqrt(pr.y[i]) |
---|
| 1073 | min_err = 0.01*pr.y[i] |
---|
| 1074 | err[i] = scale*math.sqrt( math.fabs(pr.y[i]) ) + min_err |
---|
[75df58b] | 1075 | message = "The loaded file had no error bars, " |
---|
| 1076 | message += "statistical errors are assumed." |
---|
[d2ee6f6] | 1077 | wx.PostEvent(self.parent, StatusEvent(status=message)) |
---|
| 1078 | |
---|
| 1079 | pr.err = err |
---|
[2a92852] | 1080 | |
---|
| 1081 | return pr |
---|
[f3d51f6] | 1082 | |
---|
| 1083 | |
---|
[75df58b] | 1084 | def setup_file_inversion(self, alpha, nfunc, d_max, data, |
---|
| 1085 | path=None, q_min=None, q_max=None, |
---|
[2a92852] | 1086 | bck=False, height=0, width=0): |
---|
[7116b6e0] | 1087 | """ |
---|
| 1088 | """ |
---|
[f3d51f6] | 1089 | self.alpha = alpha |
---|
| 1090 | self.nfunc = nfunc |
---|
| 1091 | self.max_length = d_max |
---|
[634f1cf] | 1092 | self.q_min = q_min |
---|
| 1093 | self.q_max = q_max |
---|
[a4bd2ac] | 1094 | self.has_bck = bck |
---|
[2a92852] | 1095 | self.slit_height = height |
---|
| 1096 | self.slit_width = width |
---|
[f3d51f6] | 1097 | |
---|
[4a5de6f] | 1098 | try: |
---|
[75df58b] | 1099 | #pr = self._create_file_pr(path) |
---|
| 1100 | pr = self._create_file_pr(data) |
---|
[2a92852] | 1101 | if not pr==None: |
---|
| 1102 | self.pr = pr |
---|
[4a5de6f] | 1103 | self.perform_inversion() |
---|
| 1104 | except: |
---|
| 1105 | wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value)) |
---|
[f3d51f6] | 1106 | |
---|
[75df58b] | 1107 | def estimate_file_inversion(self, alpha, nfunc, d_max, data, |
---|
| 1108 | path=None, q_min=None, q_max=None, |
---|
[2a92852] | 1109 | bck=False, height=0, width=0): |
---|
[7116b6e0] | 1110 | """ |
---|
| 1111 | """ |
---|
[f3d51f6] | 1112 | self.alpha = alpha |
---|
| 1113 | self.nfunc = nfunc |
---|
| 1114 | self.max_length = d_max |
---|
[634f1cf] | 1115 | self.q_min = q_min |
---|
| 1116 | self.q_max = q_max |
---|
[a4bd2ac] | 1117 | self.has_bck = bck |
---|
[2a92852] | 1118 | self.slit_height = height |
---|
| 1119 | self.slit_width = width |
---|
[f3d51f6] | 1120 | |
---|
[4a5de6f] | 1121 | try: |
---|
[75df58b] | 1122 | pr = self._create_file_pr(data) |
---|
| 1123 | #pr = self._create_file_pr(path) |
---|
| 1124 | if not pr is None: |
---|
[2a92852] | 1125 | self.pr = pr |
---|
[4a5de6f] | 1126 | self.perform_estimate() |
---|
| 1127 | except: |
---|
| 1128 | wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value)) |
---|
| 1129 | |
---|
[f3d51f6] | 1130 | |
---|
[75df58b] | 1131 | def _create_file_pr(self, data): |
---|
[f3d51f6] | 1132 | """ |
---|
[7116b6e0] | 1133 | Create and prepare invertor instance from |
---|
| 1134 | a file data set. |
---|
| 1135 | |
---|
| 1136 | :param path: path of the file to read in |
---|
| 1137 | |
---|
[f3d51f6] | 1138 | """ |
---|
| 1139 | # Load data |
---|
[75df58b] | 1140 | #if os.path.isfile(path): |
---|
| 1141 | """ |
---|
| 1142 | if self._current_file_data is not None \ |
---|
| 1143 | and self._current_file_data.path==path: |
---|
| 1144 | # Protect against corrupted data from |
---|
| 1145 | # previous failed load attempt |
---|
| 1146 | if self._current_file_data.x is None: |
---|
| 1147 | return None |
---|
| 1148 | x = self._current_file_data.x |
---|
| 1149 | y = self._current_file_data.y |
---|
| 1150 | err = self._current_file_data.err |
---|
[357b79b] | 1151 | |
---|
[75df58b] | 1152 | message = "The data from this file has already been loaded." |
---|
| 1153 | wx.PostEvent(self.parent, StatusEvent(status=message)) |
---|
| 1154 | else: |
---|
| 1155 | """ |
---|
| 1156 | # Reset the status bar so that we don't get mixed up |
---|
| 1157 | # with old messages. |
---|
| 1158 | #TODO: refactor this into a proper status handling |
---|
| 1159 | wx.PostEvent(self.parent, StatusEvent(status='')) |
---|
| 1160 | try: |
---|
| 1161 | class FileData: |
---|
| 1162 | x = None |
---|
| 1163 | y = None |
---|
| 1164 | err = None |
---|
| 1165 | path = None |
---|
| 1166 | def __init__(self, path): |
---|
| 1167 | self.path = path |
---|
[6f1f129] | 1168 | |
---|
[75df58b] | 1169 | self._current_file_data = FileData(data.path) |
---|
| 1170 | self._current_file_data.x = data.x |
---|
| 1171 | self._current_file_data.y = data.y |
---|
| 1172 | self._current_file_data.err = data.dy |
---|
| 1173 | x, y, err = data.x, data.y, data.dy |
---|
| 1174 | except: |
---|
| 1175 | load_error(sys.exc_value) |
---|
| 1176 | return None |
---|
| 1177 | |
---|
| 1178 | # If the file contains no data, just return |
---|
| 1179 | if x is None or len(x) == 0: |
---|
| 1180 | load_error("The loaded file contains no data") |
---|
| 1181 | return None |
---|
| 1182 | |
---|
| 1183 | # If we have not errors, add statistical errors |
---|
| 1184 | if err is not None and y is not None: |
---|
| 1185 | err = numpy.zeros(len(y)) |
---|
| 1186 | scale = None |
---|
| 1187 | min_err = 0.0 |
---|
| 1188 | for i in range(len(y)): |
---|
| 1189 | # Scale the error so that we can fit over several decades of Q |
---|
| 1190 | if scale == None: |
---|
| 1191 | scale = 0.05 * math.sqrt(y[i]) |
---|
| 1192 | min_err = 0.01 * y[i] |
---|
| 1193 | err[i] = scale * math.sqrt(math.fabs(y[i])) + min_err |
---|
| 1194 | message = "The loaded file had no error bars, " |
---|
| 1195 | message += "statistical errors are assumed." |
---|
| 1196 | wx.PostEvent(self.parent, StatusEvent(status=message)) |
---|
| 1197 | |
---|
| 1198 | try: |
---|
| 1199 | # Get the data from the chosen data set and perform inversion |
---|
| 1200 | pr = Invertor() |
---|
| 1201 | pr.d_max = self.max_length |
---|
| 1202 | pr.alpha = self.alpha |
---|
| 1203 | pr.q_min = self.q_min |
---|
| 1204 | pr.q_max = self.q_max |
---|
| 1205 | pr.x = x |
---|
| 1206 | pr.y = y |
---|
| 1207 | pr.err = err |
---|
| 1208 | pr.has_bck = self.has_bck |
---|
| 1209 | pr.slit_height = self.slit_height |
---|
| 1210 | pr.slit_width = self.slit_width |
---|
| 1211 | return pr |
---|
| 1212 | except: |
---|
| 1213 | load_error(sys.exc_value) |
---|
[2a92852] | 1214 | return None |
---|
[f3d51f6] | 1215 | |
---|
| 1216 | def perform_estimate(self): |
---|
[7116b6e0] | 1217 | """ |
---|
| 1218 | """ |
---|
[f3d51f6] | 1219 | from pr_thread import EstimatePr |
---|
| 1220 | from copy import deepcopy |
---|
| 1221 | |
---|
| 1222 | # If a thread is already started, stop it |
---|
[75df58b] | 1223 | if self.estimation_thread != None and \ |
---|
| 1224 | self.estimation_thread.isrunning(): |
---|
[f3d51f6] | 1225 | self.estimation_thread.stop() |
---|
| 1226 | |
---|
| 1227 | pr = self.pr.clone() |
---|
[75df58b] | 1228 | self.estimation_thread = EstimatePr(pr, self.nfunc, |
---|
| 1229 | error_func=self._thread_error, |
---|
| 1230 | completefn = self._estimate_completed, |
---|
[f3d51f6] | 1231 | updatefn = None) |
---|
| 1232 | self.estimation_thread.queue() |
---|
| 1233 | self.estimation_thread.ready(2.5) |
---|
[35adaf6] | 1234 | |
---|
| 1235 | def perform_estimateNT(self): |
---|
[7116b6e0] | 1236 | """ |
---|
| 1237 | """ |
---|
[35adaf6] | 1238 | from pr_thread import EstimateNT |
---|
| 1239 | from copy import deepcopy |
---|
| 1240 | |
---|
| 1241 | # If a thread is already started, stop it |
---|
| 1242 | if self.estimation_thread != None and self.estimation_thread.isrunning(): |
---|
| 1243 | self.estimation_thread.stop() |
---|
| 1244 | |
---|
| 1245 | pr = self.pr.clone() |
---|
[2a92852] | 1246 | # Skip the slit settings for the estimation |
---|
| 1247 | # It slows down the application and it doesn't change the estimates |
---|
| 1248 | pr.slit_height = 0.0 |
---|
| 1249 | pr.slit_width = 0.0 |
---|
[75df58b] | 1250 | self.estimation_thread = EstimateNT(pr, self.nfunc, |
---|
| 1251 | error_func=self._thread_error, |
---|
| 1252 | completefn = self._estimateNT_completed, |
---|
[35adaf6] | 1253 | updatefn = None) |
---|
| 1254 | self.estimation_thread.queue() |
---|
| 1255 | self.estimation_thread.ready(2.5) |
---|
[f3d51f6] | 1256 | |
---|
| 1257 | def perform_inversion(self): |
---|
[7116b6e0] | 1258 | """ |
---|
| 1259 | """ |
---|
[f3d51f6] | 1260 | # Time estimate |
---|
| 1261 | #estimated = self.elapsed*self.nfunc**2 |
---|
[2a92852] | 1262 | #message = "Computation time may take up to %g seconds" % self.elapsed |
---|
| 1263 | #wx.PostEvent(self.parent, StatusEvent(status=message)) |
---|
[f3d51f6] | 1264 | |
---|
| 1265 | # Start inversion thread |
---|
| 1266 | self.start_thread() |
---|
| 1267 | return |
---|
| 1268 | |
---|
| 1269 | out, cov = self.pr.lstsq(self.nfunc) |
---|
| 1270 | |
---|
| 1271 | # Save useful info |
---|
| 1272 | self.elapsed = self.pr.elapsed |
---|
| 1273 | |
---|
| 1274 | for i in range(len(out)): |
---|
| 1275 | try: |
---|
[75df58b] | 1276 | print "%d: %g +- %g" % (i, out[i], |
---|
| 1277 | math.sqrt(math.fabs(cov[i][i]))) |
---|
[f3d51f6] | 1278 | except: |
---|
| 1279 | print "%d: %g +- ?" % (i, out[i]) |
---|
| 1280 | |
---|
| 1281 | # Make a plot of I(q) data |
---|
| 1282 | new_plot = Data1D(self.pr.x, self.pr.y, dy=self.pr.err) |
---|
| 1283 | new_plot.name = "I_{obs}(q)" |
---|
| 1284 | new_plot.xaxis("\\rm{Q}", 'A^{-1}') |
---|
| 1285 | new_plot.yaxis("\\rm{Intensity} ","cm^{-1}") |
---|
[a3149c5] | 1286 | self.parent.append_theory(data_id=self.current_plottable.id, |
---|
| 1287 | theory=new_plot) |
---|
[f3d51f6] | 1288 | wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="Iq")) |
---|
| 1289 | # Show I(q) fit |
---|
| 1290 | self.show_iq(out, self.pr) |
---|
| 1291 | # Show P(r) fit |
---|
| 1292 | x_values, x_range = self.show_pr(out, self.pr, cov=cov) |
---|
| 1293 | |
---|
| 1294 | def _on_context_inversion(self, event): |
---|
[75df58b] | 1295 | """ |
---|
| 1296 | """ |
---|
[f3d51f6] | 1297 | panel = event.GetEventObject() |
---|
| 1298 | |
---|
| 1299 | # If we have more than one displayed plot, make the user choose |
---|
[75df58b] | 1300 | if len(panel.plots) > 1 and \ |
---|
| 1301 | panel.graph.selected_plottable in panel.plots: |
---|
[aa4b8379] | 1302 | dataset = panel.graph.selected_plottable |
---|
[75df58b] | 1303 | elif len(panel.plots) == 1: |
---|
[f3d51f6] | 1304 | dataset = panel.plots.keys()[0] |
---|
| 1305 | else: |
---|
[75df58b] | 1306 | logging.info("Prview Error: No data is available") |
---|
[f3d51f6] | 1307 | return |
---|
| 1308 | |
---|
| 1309 | # Store a reference to the current plottable |
---|
[3fd1ebc] | 1310 | # If we have a suggested value, use it. |
---|
| 1311 | try: |
---|
| 1312 | estimate = float(self.control_panel.alpha_estimate) |
---|
| 1313 | self.control_panel.alpha = estimate |
---|
| 1314 | except: |
---|
| 1315 | self.control_panel.alpha = self.alpha |
---|
[75df58b] | 1316 | logging.info("Prview :Alpha Not estimate yet") |
---|
[3fd1ebc] | 1317 | pass |
---|
[d6113849] | 1318 | try: |
---|
| 1319 | estimate = int(self.control_panel.nterms_estimate) |
---|
| 1320 | self.control_panel.nfunc = estimate |
---|
| 1321 | except: |
---|
| 1322 | self.control_panel.nfunc = self.nfunc |
---|
[75df58b] | 1323 | logging.info("Prview : ntemrs Not estimate yet") |
---|
[d6113849] | 1324 | pass |
---|
[3fd1ebc] | 1325 | |
---|
[f3d51f6] | 1326 | self.current_plottable = panel.plots[dataset] |
---|
| 1327 | self.control_panel.plotname = dataset |
---|
[d6113849] | 1328 | #self.control_panel.nfunc = self.nfunc |
---|
[f3d51f6] | 1329 | self.control_panel.d_max = self.max_length |
---|
| 1330 | self.parent.set_perspective(self.perspective) |
---|
[aa4b8379] | 1331 | self.control_panel._on_invert(None) |
---|
[f3d51f6] | 1332 | |
---|
| 1333 | def get_panels(self, parent): |
---|
| 1334 | """ |
---|
| 1335 | Create and return a list of panel objects |
---|
| 1336 | """ |
---|
| 1337 | from inversion_panel import InversionControl |
---|
| 1338 | |
---|
| 1339 | self.parent = parent |
---|
[aa4b8379] | 1340 | self.control_panel = InversionControl(self.parent, -1, |
---|
| 1341 | style=wx.RAISED_BORDER, |
---|
| 1342 | standalone=self.standalone) |
---|
[f3d51f6] | 1343 | self.control_panel.set_manager(self) |
---|
| 1344 | self.control_panel.nfunc = self.nfunc |
---|
| 1345 | self.control_panel.d_max = self.max_length |
---|
| 1346 | self.control_panel.alpha = self.alpha |
---|
| 1347 | self.perspective = [] |
---|
| 1348 | self.perspective.append(self.control_panel.window_name) |
---|
[75df58b] | 1349 | |
---|
[f3d51f6] | 1350 | return [self.control_panel] |
---|
| 1351 | |
---|
[a3149c5] | 1352 | def set_data(self, data_list=None, theory_list=None): |
---|
[aa4b8379] | 1353 | """ |
---|
[75df58b] | 1354 | receive a list of data to compute pr |
---|
[aa4b8379] | 1355 | """ |
---|
[a3149c5] | 1356 | if data_list is None: |
---|
| 1357 | data_list = [] |
---|
[75df58b] | 1358 | if len(data_list) > 1: |
---|
[75a7ece] | 1359 | msg = "Pr panel does not allow multiple Data.\n" |
---|
| 1360 | msg += "Please select one!\n" |
---|
| 1361 | from pr_widgets import DataDialog |
---|
| 1362 | dlg = DataDialog(data_list=data_list, text=msg) |
---|
| 1363 | if dlg.ShowModal() == wx.ID_OK: |
---|
| 1364 | data = dlg.get_data() |
---|
[a07e72f] | 1365 | if issubclass(data.__class__, Data1D): |
---|
[75a7ece] | 1366 | self.control_panel._change_file(evt=None, data=data) |
---|
| 1367 | else: |
---|
| 1368 | msg = "Pr cannot be computed for data of " |
---|
| 1369 | msg += "type %s" % (data_list[0].__class__.__name__) |
---|
| 1370 | wx.PostEvent(self.parent, |
---|
| 1371 | StatusEvent(status=msg, info='error')) |
---|
[75df58b] | 1372 | elif len(data_list) == 1: |
---|
[a07e72f] | 1373 | if issubclass(data_list[0].__class__, Data1D): |
---|
[75df58b] | 1374 | self.control_panel._change_file(evt=None, data=data_list[0]) |
---|
| 1375 | else: |
---|
| 1376 | msg = "Pr cannot be computed for" |
---|
| 1377 | msg += " data of type %s" % (data_list[0].__class__.__name__) |
---|
[75a7ece] | 1378 | wx.PostEvent(self.parent, |
---|
| 1379 | StatusEvent(status=msg, info='error')) |
---|
| 1380 | else: |
---|
| 1381 | msg = "Pr contain no data" |
---|
| 1382 | wx.PostEvent(self.parent, StatusEvent(status=msg, info='warning')) |
---|
[75df58b] | 1383 | |
---|
[f3d51f6] | 1384 | def post_init(self): |
---|
| 1385 | """ |
---|
| 1386 | Post initialization call back to close the loose ends |
---|
| 1387 | [Somehow openGL needs this call] |
---|
| 1388 | """ |
---|
[3e41f43] | 1389 | if self.standalone: |
---|
[d2ee6f6] | 1390 | self.parent.set_perspective(self.perspective) |
---|
[35adaf6] | 1391 | |
---|
| 1392 | if __name__ == "__main__": |
---|
| 1393 | i = Plugin() |
---|
| 1394 | print i.perform_estimateNT() |
---|
| 1395 | |
---|
| 1396 | |
---|
| 1397 | |
---|
[660b1e6] | 1398 | |
---|