source: sasview/inversionview/src/sans/perspectives/pr/pr.py @ 512573a

################################################################################
#This software was developed by the University of Tennessee as part of the
#Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
#project funded by the US National Science Foundation. 
#
#See the license text in license.txt
#
#copyright 2009, University of Tennessee
################################################################################


# Make sure the option of saving each curve is available 
# Use the I(q) curve as input and compare the output to P(r)

import os
import sys
import wx
import logging
import time
import copy
import math
import numpy
import pylab
from sans.guiframe.dataFitting import Data1D
from sans.guiframe.events import NewPlotEvent
from sans.guiframe.events import StatusEvent 
from sans.guiframe.gui_style import GUIFRAME_ID   
from sans.pr.invertor import Invertor
from sans.dataloader.loader import Loader
import sans.dataloader

from pr_widgets import load_error 
from sans.guiframe.plugin_base import PluginBase


PR_FIT_LABEL       = r"$P_{fit}(r)$"
PR_LOADED_LABEL    = r"$P_{loaded}(r)$"
IQ_DATA_LABEL      = r"$I_{obs}(q)$"
IQ_FIT_LABEL       = r"$I_{fit}(q)$"
IQ_SMEARED_LABEL   = r"$I_{smeared}(q)$"
GROUP_ID_IQ_DATA = r"$I_{obs}(q)$"
GROUP_ID_PR_FIT = r"$P_{fit}(r)$"



class Plugin(PluginBase):
    """
    """
    DEFAULT_ALPHA = 0.0001
    DEFAULT_NFUNC = 10
    DEFAULT_DMAX  = 140.0
    
    def __init__(self, standalone=True):
        PluginBase.__init__(self, name="Pr Inversion", standalone=standalone)
        ## Simulation window manager
        self.simview = None
       
        ## State data
        self.alpha      = self.DEFAULT_ALPHA
        self.nfunc      = self.DEFAULT_NFUNC
        self.max_length = self.DEFAULT_DMAX
        self.q_min      = None
        self.q_max      = None
        self.has_bck    = False
        self.slit_height = 0
        self.slit_width  = 0
        ## Remember last plottable processed
        self.last_data  = "sphere_60_q0_2.txt"
        self._current_file_data = None
        ## Time elapsed for last computation [sec]
        # Start with a good default
        self.elapsed = 0.022
        self.iq_data_shown = False
        
        ## Current invertor
        self.invertor    = None
        self.pr          = None
        self.data_id = IQ_DATA_LABEL 
        # Copy of the last result in case we need to display it.
        self._last_pr    = None
        self._last_out   = None
        self._last_cov   = None
        ## Calculation thread
        self.calc_thread = None
        ## Estimation thread
        self.estimation_thread = None
        ## Result panel
        self.control_panel = None
        ## Currently views plottable
        self.current_plottable = None
        ## Number of P(r) points to display on the output plot
        self._pr_npts = 51
        ## Flag to let the plug-in know that it is running standalone
        self.standalone = standalone
        self._normalize_output = False
        self._scale_output_unity = False
        
        ## List of added P(r) plots
        self._added_plots = {}
        self._default_Iq  = {}
        self.list_plot_id = []
        
        # Associate the inversion state reader with .prv files
        from inversion_state import Reader
         
        # Create a CanSAS/Pr reader
        self.state_reader = Reader(self.set_state)
        self._extensions = '.prv'
        l = Loader()
        l.associate_file_reader('.prv', self.state_reader)
        #l.associate_file_reader(".svs", self.state_reader)
                
        # Log startup
        logging.info("Pr(r) plug-in started")
        
    def delete_data(self, data_id):
        """
        delete the data association with prview
        """
        if self.calc_thread is not None and self.calc_thread.isrunning():
            msg = "Data in use in Prview\n"
        if self.estimation_thread is not None and \
            self.estimation_thread.isrunning():
             msg = "Data in use in Prview\n"
        self.control_panel.clear_panel()
       
    def get_data(self):
        """
        """
        return self.current_plottable
    
    def set_state(self, state=None, datainfo=None):
        """
        Call-back method for the inversion state reader.
        This method is called when a .prv file is loaded.
        
        :param state: InversionState object
        :param datainfo: Data1D object [optional]
        
        """
        try:
            if datainfo.__class__.__name__ == 'list':
                if len(datainfo) >= 1:
                    data = datainfo[0]
                else:
                    data = None
            else:
                data = datainfo
            if data is None:
                raise RuntimeError, "Pr.set_state: datainfo parameter cannot be None in standalone mode"
            
            # Ensuring that plots are coordinated correctly
            t = time.localtime(data.meta_data['prstate'].timestamp)
            time_str = time.strftime("%b %d %H:%M", t)
            
            # Check that no time stamp is already appended
            max_char = data.meta_data['prstate'].file.find("[")
            if max_char < 0:
                max_char = len(data.meta_data['prstate'].file)
            
            datainfo.meta_data['prstate'].file = data.meta_data['prstate'].file[0:max_char] +' [' + time_str + ']'
            data.filename = data.meta_data['prstate'].file
            # TODO:
            #remove this call when state save all information about the gui data
            # such as ID , Group_ID, etc...
            #make self.current_plottable = datainfo directly
            self.current_plottable = self.parent.create_gui_data(data,None)
            self.current_plottable.group_id = data.meta_data['prstate'].file
            
            # Make sure the user sees the P(r) panel after loading
            #self.parent.set_perspective(self.perspective)  
            self.on_perspective(event=None)   
            # Load the P(r) results
            #state = self.state_reader.get_state()
            data_dict = {self.current_plottable.id:self.current_plottable}
            self.parent.add_data(data_list=data_dict)
            wx.PostEvent(self.parent, NewPlotEvent(plot=self.current_plottable,
                                        title=self.current_plottable.title))
            self.control_panel.set_state(state)
        except:
            logging.error("prview.set_state: %s" % sys.exc_value)

  
    def help(self, evt):
        """
        Show a general help dialog. 
        
        :TODO: replace the text with a nice image
        
        """
        from inversion_panel import HelpDialog
        dialog = HelpDialog(None, -1)
        if dialog.ShowModal() == wx.ID_OK:
            dialog.Destroy()
        else:
            dialog.Destroy()
    
    def _fit_pr(self, evt):
        """
        """
        from sans.pr.invertor import Invertor
        # Generate P(r) for sphere
        radius = 60.0
        d_max  = 2*radius
        
        r = pylab.arange(0.01, d_max, d_max/51.0)
        M = len(r)
        y = numpy.zeros(M)
        pr_err = numpy.zeros(M)
        
        sum = 0.0
        for j in range(M):
            value = self.pr_theory(r[j], radius)
            sum += value
            y[j] = value
            pr_err[j] = math.sqrt(y[j])

        y = y/sum*d_max/len(r)

        # Perform fit
        pr = Invertor()
        pr.d_max = d_max
        pr.alpha = 0
        pr.x = r
        pr.y = y
        pr.err = pr_err
        out, cov = pr.pr_fit()
        for i in range(len(out)):
            print "%g +- %g" % (out[i], math.sqrt(cov[i][i]))
        
        # Show input P(r)
        title = "Pr"
        new_plot = Data1D(pr.x, pr.y, dy=pr.err)
        new_plot.name = "P_{obs}(r)"
        new_plot.xaxis("\\rm{r}", 'A')
        new_plot.yaxis("\\rm{P(r)} ","cm^{-3}")
        new_plot.group_id = "P_{obs}(r)"
        new_plot.id = "P_{obs}(r)"
        new_plot.title = title
        self.parent.update_theory(data_id=self.data_id,  theory=new_plot)
        wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))

        # Show P(r) fit
        self.show_pr(out, pr)
        
        # Show I(q) fit
        q = pylab.arange(0.001, 0.1, 0.01/51.0)
        self.show_iq(out, pr, q)
        
    def show_shpere(self, x, radius=70.0, x_range=70.0):
        """
        """
        # Show P(r)
        y_true = numpy.zeros(len(x))

        sum_true = 0.0
        for i in range(len(x)):
            y_true[i] = self.pr_theory(x[i], radius)            
            sum_true += y_true[i]
            
        y_true = y_true/sum_true*x_range/len(x)
        
        # Show the theory P(r)
        new_plot = Data1D(x, y_true)
        new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
        new_plot.name = "P_{true}(r)"
        new_plot.xaxis("\\rm{r}", 'A')
        new_plot.yaxis("\\rm{P(r)} ","cm^{-3}")
        new_plot.id = "P_{true}(r)"
        new_plot.group_id = "P_{true}(r)"
        self.parent.update_theory(data_id=self.data_id, theory=new_plot)
        #Put this call in plottables/guitools    
        wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot,
                                                title="Sphere P(r)"))
       
        
    def get_npts(self):
        """
        Returns the number of points in the I(q) data
        """
        try:
            return len(self.pr.x)
        except:
            return 0
        
    def show_iq(self, out, pr, q=None):
        """
        """  
        qtemp = pr.x
        if not q==None:
            qtemp = q

        # Make a plot
        maxq = -1
        for q_i in qtemp:
            if q_i>maxq:
                maxq=q_i
                
        minq = 0.001
        
        # Check for user min/max
        if not pr.q_min==None:
            minq = pr.q_min
        if not pr.q_max==None:
            maxq = pr.q_max
                
        x = pylab.arange(minq, maxq, maxq/301.0)
        y = numpy.zeros(len(x))
        err = numpy.zeros(len(x))
        for i in range(len(x)):
            value = pr.iq(out, x[i])
            y[i] = value
            try:
                err[i] = math.sqrt(math.fabs(value))
            except:
                err[i] = 1.0
                print "Error getting error", value, x[i]
                
        new_plot = Data1D(x, y)
        new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
        new_plot.name = IQ_FIT_LABEL
        new_plot.xaxis("\\rm{Q}", 'A^{-1}')
        new_plot.yaxis("\\rm{Intensity} ","cm^{-1}")
        title = "I(q)"
        new_plot.title = title
        
        # If we have a group ID, use it
        if pr.info.has_key("plot_group_id"):
            new_plot.group_id = pr.info["plot_group_id"]
        new_plot.id = IQ_FIT_LABEL
        self.parent.update_theory(data_id=self.data_id, theory=new_plot)
        
        wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))
        
        # If we have used slit smearing, plot the smeared I(q) too
        if pr.slit_width>0 or pr.slit_height>0:
            x = pylab.arange(minq, maxq, maxq/301.0)
            y = numpy.zeros(len(x))
            err = numpy.zeros(len(x))
            for i in range(len(x)):
                value = pr.iq_smeared(out, x[i])
                y[i] = value
                try:
                    err[i] = math.sqrt(math.fabs(value))
                except:
                    err[i] = 1.0
                    print "Error getting error", value, x[i]
                    
            new_plot = Data1D(x, y)
            new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
            new_plot.name = IQ_SMEARED_LABEL
            new_plot.xaxis("\\rm{Q}", 'A^{-1}')
            new_plot.yaxis("\\rm{Intensity} ","cm^{-1}")
            # If we have a group ID, use it
            if pr.info.has_key("plot_group_id"):
              new_plot.group_id = pr.info["plot_group_id"]
            new_plot.id = IQ_SMEARED_LABEL
            new_plot.title = title
            self.parent.update_theory(data_id=self.data_id, theory=new_plot)
            wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title))
        
    def _on_pr_npts(self, evt):
        """
        Redisplay P(r) with a different number of points
        """   
        from inversion_panel import PrDistDialog
        dialog = PrDistDialog(None, -1)
        dialog.set_content(self._pr_npts)
        if dialog.ShowModal() == wx.ID_OK:
            self._pr_npts= dialog.get_content()
            dialog.Destroy()
            self.show_pr(self._last_out, self._last_pr, self._last_cov)
        else:
            dialog.Destroy()
        
        
    def show_pr(self, out, pr, cov=None):
        """
        """     
        # Show P(r)
        x = pylab.arange(0.0, pr.d_max, pr.d_max/self._pr_npts)
    
        y = numpy.zeros(len(x))
        dy = numpy.zeros(len(x))
        y_true = numpy.zeros(len(x))

        sum = 0.0
        pmax = 0.0
        cov2 = numpy.ascontiguousarray(cov)
        
        for i in range(len(x)):
            if cov2==None:
                value = pr.pr(out, x[i])
            else:
                (value, dy[i]) = pr.pr_err(out, cov2, x[i])
            sum += value*pr.d_max/len(x)
            
            # keep track of the maximum P(r) value
            if value>pmax:
                pmax = value
                
            y[i] = value
                
        if self._normalize_output==True:
            y = y/sum
            dy = dy/sum
        elif self._scale_output_unity==True:
            y = y/pmax
            dy = dy/pmax
        
        if cov2==None:
            new_plot = Data1D(x, y)
            new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
        else:
            new_plot = Data1D(x, y, dy=dy)
        new_plot.name = PR_FIT_LABEL
        new_plot.xaxis("\\rm{r}", 'A')
        new_plot.yaxis("\\rm{P(r)} ","cm^{-3}")
        new_plot.title = "P(r) fit"
        new_plot.id = PR_FIT_LABEL
        # Make sure that the plot is linear
        new_plot.xtransform = "x"
        new_plot.ytransform = "y"  
        new_plot.group_id = GROUP_ID_PR_FIT
        self.parent.update_theory(data_id=self.data_id, theory=new_plot)    
        wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="P(r) fit"))
        return x, pr.d_max
          
    def load(self, data):
        """
        Load data. This will eventually be replaced
        by our standard DataLoader class.
        """
        class FileData:
            x = None
            y = None
            err = None
            path = None
            
            def __init__(self, path):
                self.path = path
                
        self._current_file_data = FileData(data.path)
        
        # Use data loader to load file
        #dataread = Loader().load(path)
        dataread = data
        # Notify the user if we could not read the file
        if dataread is None:
            raise RuntimeError, "Invalid data"
            
        x = None
        y = None
        err = None
        if dataread.__class__.__name__ == 'Data1D':
            x = dataread.x
            y = dataread.y
            err = dataread.dy
        else:
            if isinstance(dataread, list) and len(dataread)>0:
                x = dataread[0].x
                y = dataread[0].y
                err = dataread[0].dy
                msg = "PrView only allows a single data set at a time. "
                msg += "Only the first data set was loaded." 
                wx.PostEvent(self.parent, StatusEvent(status=msg))
            else:
                if dataread is None:
                    return x, y, err
                raise RuntimeError, "This tool can only read 1D data"
        
        self._current_file_data.x = x
        self._current_file_data.y = y
        self._current_file_data.err = err
        return x, y, err
                
    def load_columns(self, path = "sphere_60_q0_2.txt"):
        """
        Load 2- or 3- column ascii
        """
        import numpy, math, sys
        # Read the data from the data file
        data_x   = numpy.zeros(0)
        data_y   = numpy.zeros(0)
        data_err = numpy.zeros(0)
        scale    = None
        min_err  = 0.0
        if not path == None:
            input_f = open(path,'r')
            buff    = input_f.read()
            lines   = buff.split('\n')
            for line in lines:
                try:
                    toks = line.split()
                    x = float(toks[0])
                    y = float(toks[1])
                    if len(toks)>2:
                        err = float(toks[2])
                    else:
                        if scale==None:
                            scale = 0.05*math.sqrt(y)
                            #scale = 0.05/math.sqrt(y)
                            min_err = 0.01*y
                        err = scale*math.sqrt(y)+min_err
                        #err = 0
                        
                    data_x = numpy.append(data_x, x)
                    data_y = numpy.append(data_y, y)
                    data_err = numpy.append(data_err, err)
                except:
                    pass
                   
        if not scale==None:
            message = "The loaded file had no error bars, statistical errors are assumed."
            wx.PostEvent(self.parent, StatusEvent(status=message))
        else:
            wx.PostEvent(self.parent, StatusEvent(status=''))
                        
        return data_x, data_y, data_err     
        
    def load_abs(self, path):
        """
        Load an IGOR .ABS reduced file
        
        :param path: file path
        
        :return: x, y, err vectors
        
        """
        import numpy, math, sys
        # Read the data from the data file
        data_x   = numpy.zeros(0)
        data_y   = numpy.zeros(0)
        data_err = numpy.zeros(0)
        scale    = None
        min_err  = 0.0
        
        data_started = False
        if not path == None:
            input_f = open(path,'r')
            buff    = input_f.read()
            lines   = buff.split('\n')
            for line in lines:
                if data_started==True:
                    try:
                        toks = line.split()
                        x = float(toks[0])
                        y = float(toks[1])
                        if len(toks)>2:
                            err = float(toks[2])
                        else:
                            if scale==None:
                                scale = 0.05*math.sqrt(y)
                                #scale = 0.05/math.sqrt(y)
                                min_err = 0.01*y
                            err = scale*math.sqrt(y)+min_err
                            #err = 0
                            
                        data_x = numpy.append(data_x, x)
                        data_y = numpy.append(data_y, y)
                        data_err = numpy.append(data_err, err)
                    except:
                        pass
                elif line.find("The 6 columns")>=0:
                    data_started = True      
                   
        if not scale==None:
            message = "The loaded file had no error bars, statistical errors are assumed."
            wx.PostEvent(self.parent, StatusEvent(status=message))
        else:
            wx.PostEvent(self.parent, StatusEvent(status=''))
                        
        return data_x, data_y, data_err     
        
    def pr_theory(self, r, R):
        """  
        """
        if r<=2*R:
            return 12.0* ((0.5*r/R)**2) * ((1.0-0.5*r/R)**2) * ( 2.0 + 0.5*r/R )
        else:
            return 0.0

    def get_context_menu(self, plotpanel=None):
        """
        Get the context menu items available for P(r)
        
        :param graph: the Graph object to which we attach the context menu
        
        :return: a list of menu items with call-back function
        
        """
        graph = plotpanel.graph
        # Look whether this Graph contains P(r) data
        if graph.selected_plottable not in plotpanel.plots:
            return []
        item = plotpanel.plots[graph.selected_plottable]
        if item.id == PR_FIT_LABEL:
            #add_data_hint = "Load a data file and display it on this plot"
            #["Add P(r) data",add_data_hint , self._on_add_data],
            change_n_hint = "Change the number of"
            change_n_hint += " points on the P(r) output"
            change_n_label = "Change number of P(r) points"
            m_list = [[change_n_label, change_n_hint , self._on_pr_npts]]

            if self._scale_output_unity or self._normalize_output:
                hint = "Let the output P(r) keep the scale of the data"
                m_list.append(["Disable P(r) scaling", hint, 
                               self._on_disable_scaling])
            if not self._scale_output_unity:
                m_list.append(["Scale P_max(r) to unity", 
                               "Scale P(r) so that its maximum is 1", 
                               self._on_scale_unity])
            if not self._normalize_output:
                m_list.append(["Normalize P(r) to unity", 
                               "Normalize the integral of P(r) to 1", 
                               self._on_normalize])
                
            return m_list
             
        elif item.id in [PR_LOADED_LABEL, IQ_DATA_LABEL, IQ_FIT_LABEL,
                          IQ_SMEARED_LABEL]:
            return []
        elif item.id == graph.selected_plottable:
               if not self.standalone and issubclass(item.__class__, Data1D):
                return [["Compute P(r)", 
                             "Compute P(r) from distribution", 
                             self._on_context_inversion]]      
                
        return []

    def _on_disable_scaling(self, evt):
        """
        Disable P(r) scaling
            
        :param evt: Menu event
        
        """
        self._normalize_output = False
        self._scale_output_unity = False
        self.show_pr(self._last_out, self._last_pr, self._last_cov)
        
        # Now replot the original added data
        for plot in self._added_plots:
            self._added_plots[plot].y = numpy.copy(self._default_Iq[plot])
            wx.PostEvent(self.parent, 
                         NewPlotEvent(plot=self._added_plots[plot], 
                                      title=self._added_plots[plot].name,
                                                   update=True))        
        
        # Need the update flag in the NewPlotEvent to protect against
        # the plot no longer being there...
        
    def _on_normalize(self, evt):
        """
        Normalize the area under the P(r) curve to 1.
        This operation is done for all displayed plots.
        
        :param evt: Menu event
        
        """
        self._normalize_output = True
        self._scale_output_unity = False
            
        self.show_pr(self._last_out, self._last_pr, self._last_cov)
        
        # Now scale the added plots too
        for plot in self._added_plots:
            sum = numpy.sum(self._added_plots[plot].y)
            npts = len(self._added_plots[plot].x)
            sum *= self._added_plots[plot].x[npts-1]/npts
            y = self._added_plots[plot].y/sum
            
            new_plot = Data1D(self._added_plots[plot].x, y)
            new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
            new_plot.group_id = self._added_plots[plot].group_id
            new_plot.id = self._added_plots[plot].id
            new_plot.title = self._added_plots[plot].title
            new_plot.name = self._added_plots[plot].name
            new_plot.xaxis("\\rm{r}", 'A')
            new_plot.yaxis("\\rm{P(r)} ","cm^{-3}")
            self.parent.update_theory(data_id=self.data_id, theory=new_plot)        
            wx.PostEvent(self.parent, 
                         NewPlotEvent(plot=new_plot, update=True,
                                         title=self._added_plots[plot].name))
        
    def _on_scale_unity(self, evt):
        """
        Scale the maximum P(r) value on each displayed plot to 1.
        
        :param evt: Menu event
        
        """
        self._scale_output_unity = True
        self._normalize_output = False
            
        self.show_pr(self._last_out, self._last_pr, self._last_cov)
        
        # Now scale the added plots too
        for plot in self._added_plots:
            _max = 0
            for y in self._added_plots[plot].y:
                if y>_max: 
                    _max = y
            y = self._added_plots[plot].y/_max
            
            new_plot = Data1D(self._added_plots[plot].x, y)
            new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
            new_plot.name = self._added_plots[plot].name
            new_plot.xaxis("\\rm{r}", 'A')
            new_plot.yaxis("\\rm{P(r)} ","cm^{-3}")
            self.parent.update_theory(data_id=self.data_id,theory=new_plot)        
            wx.PostEvent(self.parent, 
                         NewPlotEvent(plot=new_plot, update=True,
                                title=self._added_plots[plot].name))        
        
        
    def _on_add_data(self, evt):
        """
        Add a data curve to the plot
        
        :WARNING: this will be removed once guiframe.plotting has
             its full functionality
        """
        path = self.choose_file()
        if path==None:
            return
        
        #x, y, err = self.parent.load_ascii_1D(path)
        # Use data loader to load file
        try:
            dataread = Loader().load(path)
            x = None
            y = None
            err = None
            if dataread.__class__.__name__ == 'Data1D':
                x = dataread.x
                y = dataread.y
                err = dataread.dy
            else:
                if isinstance(dataread, list) and len(dataread)>0:
                    x = dataread[0].x
                    y = dataread[0].y
                    err = dataread[0].dy
                    msg = "PrView only allows a single data set at a time. "
                    msg += "Only the first data set was loaded." 
                    wx.PostEvent(self.parent, StatusEvent(status=msg))
                else:
                    msg = "This tool can only read 1D data"
                    wx.PostEvent(self.parent, StatusEvent(status=msg))
                    return
            
        except:
            wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value))
            return
        
        filename = os.path.basename(path)
        new_plot = Data1D(x, y)
        new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
        new_plot.name = filename
        new_plot.xaxis("\\rm{r}", 'A')
        new_plot.yaxis("\\rm{P(r)} ","cm^{-3}")
        # Store a ref to the plottable for later use
        self._added_plots[filename] = new_plot
        self._default_Iq[filename]  = numpy.copy(y)
        wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=filename))
        
    def start_thread(self):
        """
        """
        from pr_thread import CalcPr
        from copy import deepcopy
        
        # If a thread is already started, stop it
        if self.calc_thread != None and self.calc_thread.isrunning():
            self.calc_thread.stop()
                
        pr = self.pr.clone()
        self.calc_thread = CalcPr(pr, self.nfunc,
                                   error_func=self._thread_error, 
                                   completefn=self._completed, updatefn=None)
        self.calc_thread.queue()
        self.calc_thread.ready(2.5)
    
    def _thread_error(self, error):
        """
        """
        wx.PostEvent(self.parent, StatusEvent(status=error))
    
    def _estimate_completed(self, alpha, message, elapsed):
        """
        Parameter estimation completed, 
        display the results to the user
        
        :param alpha: estimated best alpha
        :param elapsed: computation time
        
        """
        # Save useful info
        self.elapsed = elapsed
        self.control_panel.alpha_estimate = alpha
        if not message==None:
            wx.PostEvent(self.parent, StatusEvent(status=str(message)))
        self.perform_estimateNT()
    
    def _estimateNT_completed(self, nterms, alpha, message, elapsed):
        """
        Parameter estimation completed, 
        display the results to the user
        
        :param alpha: estimated best alpha
        :param nterms: estimated number of terms
        :param elapsed: computation time
        
        """
        # Save useful info
        self.elapsed = elapsed
        self.control_panel.nterms_estimate = nterms
        self.control_panel.alpha_estimate = alpha
        if not message==None:
            wx.PostEvent(self.parent, StatusEvent(status=str(message)))
    
    def _completed(self, out, cov, pr, elapsed):
        """
        wxCallAfter Method called with the results when the inversion
        is done
        
        :param out: output coefficient for the base functions
        :param cov: covariance matrix
        :param pr: Invertor instance
        :param elapsed: time spent computing
        """
        # Ensure hat you have all inputs are ready at the time call happens:
        # Without CallAfter, it will freeze with wx >= 2.9.
        wx.CallAfter(self._completed_call, out, cov, pr, elapsed)
        
    def _completed_call(self, out, cov, pr, elapsed):
        """
        Method called with the results when the inversion
        is done
        
        :param out: output coefficient for the base functions
        :param cov: covariance matrix
        :param pr: Invertor instance
        :param elapsed: time spent computing
        
        """
        from copy import deepcopy
        # Save useful info
        self.elapsed = elapsed
        # Keep a copy of the last result
        self._last_pr  = pr.clone()
        self._last_out = out
        self._last_cov = cov
        
        # Save Pr invertor
        self.pr = pr
        
        #message = "Computation completed in"
        #message +=  %g seconds [chi2=%g]" % (elapsed, pr.chi2)
        #wx.PostEvent(self.parent, StatusEvent(status=message))

        cov = numpy.ascontiguousarray(cov)

        # Show result on control panel
        self.control_panel.chi2 = pr.chi2
        self.control_panel.elapsed = elapsed
        self.control_panel.oscillation = pr.oscillations(out)
        #print "OSCILL", pr.oscillations(out)
        #print "PEAKS:", pr.get_peaks(out) 
        self.control_panel.positive = pr.get_positive(out)
        self.control_panel.pos_err  = pr.get_pos_err(out, cov)
        self.control_panel.rg = pr.rg(out)
        self.control_panel.iq0 = pr.iq0(out)
        self.control_panel.bck = pr.background
        
        if False:
            for i in range(len(out)):
                try:
                    print "%d: %g +- %g" % (i, out[i],
                                             math.sqrt(math.fabs(cov[i][i])))
                except: 
                    print sys.exc_value
                    print "%d: %g +- ?" % (i, out[i])        
        
            # Make a plot of I(q) data
            new_plot = Data1D(self.pr.x, self.pr.y, dy=self.pr.err)
            new_plot.name = IQ_DATA_LABEL
            new_plot.xaxis("\\rm{Q}", 'A^{-1}')
            new_plot.yaxis("\\rm{Intensity} ","cm^{-1}")
            if pr.info.has_key("plot_group_id"):
                new_plot.group_id = pr.info["plot_group_id"]
            new_plot.id = self.data_id
            self.parent.update_theory(data_id=self.data_id,
                                       theory=new_plot)
            wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="Iq"))
                
        # Show I(q) fit
        self.show_iq(out, self.pr)
        
        # Show P(r) fit
        x_values, x_range = self.show_pr(out, self.pr, cov)  
        
        # Popup result panel
        #result_panel = InversionResults(self.parent, 
        #-1, style=wx.RAISED_BORDER)
        
    def show_data(self, path=None, data=None, reset=False):
        """
        Show data read from a file
        
        :param path: file path
        :param reset: if True all other plottables will be cleared
        
        """
        #if path is not None:
        if data is not None:
            try:
                pr = self._create_file_pr(data)
            except:
                status = "Problem reading data: %s" % sys.exc_value
                wx.PostEvent(self.parent, StatusEvent(status=status))
                raise RuntimeError, status
                
            # If the file contains nothing, just return
            if pr is None:
                raise RuntimeError, "Loaded data is invalid"
            
            self.pr = pr
       
        # Make a plot of I(q) data
        if self.pr.err == None:
            new_plot = Data1D(self.pr.x, self.pr.y)
            new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM
        else:
            new_plot = Data1D(self.pr.x, self.pr.y, dy=self.pr.err)
        new_plot.name = IQ_DATA_LABEL
        new_plot.xaxis("\\rm{Q}", 'A^{-1}')
        new_plot.yaxis("\\rm{Intensity} ","cm^{-1}")
        new_plot.interactive = True
        new_plot.group_id = GROUP_ID_IQ_DATA
        new_plot.id = self.data_id
        new_plot.title = "I(q)"   
        wx.PostEvent(self.parent, 
                     NewPlotEvent(plot=new_plot, title="I(q)", reset=reset))
        
        self.current_plottable = new_plot
        # Get Q range
        self.control_panel.q_min = self.pr.x.min()
        self.control_panel.q_max = self.pr.x.max()
            
    def save_data(self, filepath, prstate=None):
        """
        Save data in provided state object.
        
        :TODO: move the state code away from inversion_panel and move it here. 
                Then remove the "prstate" input and make this method private.
                
        :param filepath: path of file to write to
        :param prstate: P(r) inversion state 
        
        """
        #TODO: do we need this or can we use DataLoader.loader.save directly?
        
        # Add output data and coefficients to state
        prstate.coefficients = self._last_out
        prstate.covariance = self._last_cov
        
        # Write the output to file
        # First, check that the data is of the right type
        if issubclass(self.current_plottable.__class__,
                       sans.dataloader.data_info.Data1D):
            self.state_reader.write(filepath, self.current_plottable, prstate)
        else:
            msg = "pr.save_data: the data being saved is not a"
            msg += " sans.dataloader.data_info.Data1D object" 
            raise RuntimeError, msg
        
        
    def setup_plot_inversion(self, alpha, nfunc, d_max, q_min=None, q_max=None, 
                             bck=False, height=0, width=0):
        """
        """
        self.alpha = alpha
        self.nfunc = nfunc
        self.max_length = d_max
        self.q_min = q_min
        self.q_max = q_max
        self.has_bck = bck
        self.slit_height = height
        self.slit_width  = width
        
        try:
            pr = self._create_plot_pr()
            if not pr==None:
                self.pr = pr
                self.perform_inversion()
        except:
            wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value))

    def estimate_plot_inversion(self, alpha, nfunc, d_max, 
                                q_min=None, q_max=None, 
                                bck=False, height=0, width=0):
        """
        """
        self.alpha = alpha
        self.nfunc = nfunc
        self.max_length = d_max
        self.q_min = q_min
        self.q_max = q_max
        self.has_bck = bck
        self.slit_height = height
        self.slit_width  = width
        
        try:
            pr = self._create_plot_pr()
            if not pr==None:
                self.pr = pr
                self.perform_estimate()
        except:
            wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value))            

    def _create_plot_pr(self, estimate=False):
        """
        Create and prepare invertor instance from
        a plottable data set.
        
        :param path: path of the file to read in 
        
        """
        # Sanity check
        if self.current_plottable is None:
            msg = "Please load a valid data set before proceeding."
            wx.PostEvent(self.parent, StatusEvent(status=msg))  
            return None   
        
        # Get the data from the chosen data set and perform inversion
        pr = Invertor()
        pr.d_max = self.max_length
        pr.alpha = self.alpha
        pr.q_min = self.q_min
        pr.q_max = self.q_max
        pr.x = self.current_plottable.x
        pr.y = self.current_plottable.y
        pr.has_bck = self.has_bck
        pr.slit_height = self.slit_height
        pr.slit_width = self.slit_width
        
        # Keep track of the plot window title to ensure that
        # we can overlay the plots
        pr.info["plot_group_id"] = self.current_plottable.group_id
        
        # Fill in errors if none were provided
        err = self.current_plottable.dy
        all_zeros = True
        if err == None:
            err = numpy.zeros(len(pr.y)) 
        else:    
            for i in range(len(err)):
                if err[i]>0:
                    all_zeros = False
        
        if all_zeros:        
            scale = None
            min_err = 0.0
            for i in range(len(pr.y)):
                # Scale the error so that we can fit over several decades of Q
                if scale==None:
                    scale = 0.05*math.sqrt(pr.y[i])
                    min_err = 0.01*pr.y[i]
                err[i] = scale*math.sqrt( math.fabs(pr.y[i]) ) + min_err
            message = "The loaded file had no error bars, "
            message += "statistical errors are assumed."
            wx.PostEvent(self.parent, StatusEvent(status=message))

        pr.err = err
        
        return pr

          
    def setup_file_inversion(self, alpha, nfunc, d_max, data,
                             path=None, q_min=None, q_max=None, 
                             bck=False, height=0, width=0):
        """
        """
        self.alpha = alpha
        self.nfunc = nfunc
        self.max_length = d_max
        self.q_min = q_min
        self.q_max = q_max
        self.has_bck = bck
        self.slit_height = height
        self.slit_width  = width
        
        try:
            #pr = self._create_file_pr(path)
            pr = self._create_file_pr(data)
            if not pr==None:
                self.pr = pr
                self.perform_inversion()
        except:
            wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value))
          
    def estimate_file_inversion(self, alpha, nfunc, d_max, data,
                                path=None, q_min=None, q_max=None, 
                                bck=False, height=0, width=0):
        """
        """
        self.alpha = alpha
        self.nfunc = nfunc
        self.max_length = d_max
        self.q_min = q_min
        self.q_max = q_max
        self.has_bck = bck
        self.slit_height = height
        self.slit_width  = width
        
        try:
            pr = self._create_file_pr(data)
            #pr = self._create_file_pr(path)
            if not pr is None:
                self.pr = pr
                self.perform_estimate()
        except:
            wx.PostEvent(self.parent, StatusEvent(status=sys.exc_value))
                
          
    def _create_file_pr(self, data):
        """
        Create and prepare invertor instance from
        a file data set.
        
        :param path: path of the file to read in 
        
        """
        # Load data
        #if os.path.isfile(path):
        """    
        if self._current_file_data is not None \
            and self._current_file_data.path==path:
            # Protect against corrupted data from 
            # previous failed load attempt
            if self._current_file_data.x is None:
                return None
            x = self._current_file_data.x
            y = self._current_file_data.y
            err = self._current_file_data.err
            
            message = "The data from this file has already been loaded."
            wx.PostEvent(self.parent, StatusEvent(status=message))
        else:
        """
        # Reset the status bar so that we don't get mixed up
        # with old messages. 
        #TODO: refactor this into a proper status handling
        wx.PostEvent(self.parent, StatusEvent(status=''))
        try:
            class FileData:
                x = None
                y = None
                err = None
                path = None
                def __init__(self, path):
                    self.path = path
                
            self._current_file_data = FileData(data.path)
            self._current_file_data.x = data.x
            self._current_file_data.y = data.y
            self._current_file_data.err = data.dy
            x, y, err = data.x, data.y, data.dy
        except:
            load_error(sys.exc_value)
            return None
        
        # If the file contains no data, just return
        if x is None or len(x) == 0:
            load_error("The loaded file contains no data")
            return None

        # If we have not errors, add statistical errors
        if y is not None:
            if err == None or numpy.all(err) == 0:
                err = numpy.zeros(len(y))
                scale = None
                min_err = 0.0
                for i in range(len(y)):
                    # Scale the error so that we can fit over several decades of Q
                    if scale == None:
                        scale = 0.05 * math.sqrt(y[i])
                        min_err = 0.01 * y[i]
                    err[i] = scale * math.sqrt(math.fabs(y[i])) + min_err
                message = "The loaded file had no error bars, "
                message += "statistical errors are assumed."
                wx.PostEvent(self.parent, StatusEvent(status=message))
        
        try:
            # Get the data from the chosen data set and perform inversion
            pr = Invertor()
            pr.d_max = self.max_length
            pr.alpha = self.alpha
            pr.q_min = self.q_min
            pr.q_max = self.q_max
            pr.x = x
            pr.y = y
            pr.err = err
            pr.has_bck = self.has_bck
            pr.slit_height = self.slit_height
            pr.slit_width = self.slit_width
            return pr
        except:
            load_error(sys.exc_value)
        return None
        
    def perform_estimate(self):
        """
        """
        from pr_thread import EstimatePr
        from copy import deepcopy
        
        # If a thread is already started, stop it
        if self.estimation_thread != None and \
            self.estimation_thread.isrunning():
            self.estimation_thread.stop()
                
        pr = self.pr.clone()
        self.estimation_thread = EstimatePr(pr, self.nfunc,
                                             error_func=self._thread_error, 
                                         completefn = self._estimate_completed, 
                                            updatefn   = None)
        self.estimation_thread.queue()
        self.estimation_thread.ready(2.5)
    
    def perform_estimateNT(self):
        """
        """
        from pr_thread import EstimateNT
        from copy import deepcopy
        
        # If a thread is already started, stop it
        if self.estimation_thread != None and self.estimation_thread.isrunning():
            self.estimation_thread.stop()
                
        pr = self.pr.clone()
        # Skip the slit settings for the estimation
        # It slows down the application and it doesn't change the estimates
        pr.slit_height = 0.0
        pr.slit_width  = 0.0
        self.estimation_thread = EstimateNT(pr, self.nfunc, 
                                            error_func=self._thread_error, 
                                        completefn = self._estimateNT_completed, 
                                            updatefn   = None)
        self.estimation_thread.queue()
        self.estimation_thread.ready(2.5)
        
    def perform_inversion(self):
        """
        """
        # Time estimate
        #estimated = self.elapsed*self.nfunc**2
        #message = "Computation time may take up to %g seconds" % self.elapsed
        #wx.PostEvent(self.parent, StatusEvent(status=message))
        
        # Start inversion thread
        self.start_thread()
        return
        
        out, cov = self.pr.lstsq(self.nfunc)
        
        # Save useful info
        self.elapsed = self.pr.elapsed
        
        for i in range(len(out)):
            try:
                print "%d: %g +- %g" % (i, out[i],
                                         math.sqrt(math.fabs(cov[i][i])))
            except: 
                print "%d: %g +- ?" % (i, out[i])        
        
        # Make a plot of I(q) data
        new_plot = Data1D(self.pr.x, self.pr.y, dy=self.pr.err)
        new_plot.name = "I_{obs}(q)"
        new_plot.xaxis("\\rm{Q}", 'A^{-1}')
        new_plot.yaxis("\\rm{Intensity} ","cm^{-1}")
        wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title="Iq"))
        # Show I(q) fit
        self.show_iq(out, self.pr)
        # Show P(r) fit
        x_values, x_range = self.show_pr(out, self.pr, cov=cov)
        
    def _on_context_inversion(self, event):
        """
        """
        panel = event.GetEventObject()
        Plugin.on_perspective(self, event=event)

        # If we have more than one displayed plot, make the user choose
        if len(panel.plots) >= 1 and \
            panel.graph.selected_plottable in panel.plots:
            dataset = panel.plots[panel.graph.selected_plottable].name
        else:
            logging.info("Prview Error: No data is available")
            return
        
        # Store a reference to the current plottable
        # If we have a suggested value, use it.
        try:
            estimate = float(self.control_panel.alpha_estimate)
            self.control_panel.alpha = estimate
        except:
            self.control_panel.alpha = self.alpha
            logging.info("Prview :Alpha Not estimate yet")
            pass
        try:
            estimate = int(self.control_panel.nterms_estimate)
            self.control_panel.nfunc = estimate
        except:
            self.control_panel.nfunc = self.nfunc
            logging.info("Prview : ntemrs Not estimate yet")
            pass
        
        self.current_plottable = panel.plots[panel.graph.selected_plottable]
        self.set_data([self.current_plottable])
        self.control_panel.plotname = dataset
        #self.control_panel.nfunc = self.nfunc
        self.control_panel.d_max = self.max_length
        #self.parent.set_perspective(self.perspective)
        self.control_panel._on_invert(None)
            
    def get_panels(self, parent):
        """
            Create and return a list of panel objects
        """
        from inversion_panel import InversionControl
        
        self.parent = parent
        self.control_panel = InversionControl(self.parent, -1, 
                                              style=wx.RAISED_BORDER,
                                              standalone=self.standalone)
        self.control_panel.set_manager(self)
        self.control_panel.nfunc = self.nfunc
        self.control_panel.d_max = self.max_length
        self.control_panel.alpha = self.alpha
        self.perspective = []
        self.perspective.append(self.control_panel.window_name)
     
        return [self.control_panel]
    
    def set_data(self, data_list=None):
        """
        receive a list of data to compute pr
        """
        if data_list is None:
            data_list = []
        if len(data_list) >= 1:
            if len(data_list) == 1:
                data = data_list[0]
            else:
                msg = "Pr panel does not allow multiple Data.\n"
                msg += "Please select one!\n"
                from pr_widgets import DataDialog
                dlg = DataDialog(data_list=data_list, text=msg)
                if dlg.ShowModal() == wx.ID_OK:
                    data = dlg.get_data()
            if data is None:
                return
            if issubclass(data.__class__, Data1D):
                try:
                    wx.PostEvent(self.parent, NewPlotEvent(action='remove',
                                                group_id=GROUP_ID_IQ_DATA, 
                                                id=self.data_id))
                                              
                    self.data_id = data.id
                    self.control_panel._change_file(evt=None, data=data)
                except:
                     msg = "Prview Set_data: " + str(sys.exc_value)
                     wx.PostEvent(self.parent, StatusEvent(status=msg,
                                                            info="error"))
            else:    
                msg = "Pr cannot be computed for data of "
                msg += "type %s" % (data_list[0].__class__.__name__)
                wx.PostEvent(self.parent, 
                         StatusEvent(status=msg, info='error'))
        else:
            msg = "Pr contain no data"
            wx.PostEvent(self.parent, StatusEvent(status=msg, info='warning'))
            
    def post_init(self):
        """
            Post initialization call back to close the loose ends
            [Somehow openGL needs this call]
        """
        if self.standalone:
            self.parent.set_perspective(self.perspective)
  
if __name__ == "__main__":
    i = Plugin()
    print i.perform_estimateNT()