GSASIIexprGUI.py

# -*- coding: utf-8 -*-
#GSASIIexprGUI - Expression Definition and Evaluation
########### SVN repository information ###################
# $Date: 2023-09-29 15:47:55 -0500 (Fri, 29 Sep 2023) $
# $Author: vondreele $
# $Revision: 5663 $
# $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/GSASIIexprGUI.py $
# $Id: GSASIIexprGUI.py 5663 2023-09-29 20:47:55Z vondreele $
########### SVN repository information ###################
'''Routines for users to input Python expressions used within 
GSAS-II computations follow.
'''
from __future__ import division, print_function
import re
import platform
import copy
import wx
import wx.lib.scrolledpanel as wxscroll
import numpy as np
import GSASIIpath
GSASIIpath.SetVersionNumber("$Revision: 5663 $")
import GSASIIctrlGUI as G2G
import GSASIIobj as G2obj
import GSASIImath as G2mth
import GSASIIfiles as G2fil

# Define a short name for convenience
WACV = wx.ALIGN_CENTER_VERTICAL

def IndexParmDict(parmDict,wildcard):
    '''Separate the parameters in parmDict into list of keys by parameter
    type.
    
    :param dict parmDict: a dict with GSAS-II parameters
    :param bool wildcard: True if wildcard versions of parameters should
      be generated and added to the lists
    :returns: a dict of lists where key 1 is a list of phase parameters,
      2 is histogram/phase parms, 3 is histogram parms and 4 are global parameters
    '''
    prex = re.compile('[0-9]+::.*')
    hrex = re.compile(':[0-9]+:.*')
    parmLists = {}
    for i in (1,2,3,4):
        parmLists[i] = []
    for i in sorted(parmDict.keys()):
        if i.startswith("::") or i.find(':') == -1: # globals
            parmLists[4].append(i)
        elif prex.match(i):
            parmLists[1].append(i)
        elif hrex.match(i):
            parmLists[3].append(i)
        else:
            parmLists[2].append(i)
    if wildcard:
        for i in (1,2,3,4):
            parmLists[i] += G2obj.GenWildCard(parmLists[i]) # generate wildcard versions
    for i in (1,2,3,4):
        parmLists[i].sort()
    return parmLists

#==========================================================================
defaultExpressions = None
def LoadDefaultExpressions():
    '''Read a configuration file with default expressions from all files named
    DefaultExpressions.txt found in the path. Duplicates are removed and
    expressions are sorted alphabetically
    '''
    global defaultExpressions
    if defaultExpressions is not None: return # run this routine only once
    defaultExpressions = sorted(list(set(GSASIIpath.LoadConfigFile('DefaultExpressions.txt'))))
    
#==========================================================================
class ExpressionDialog(wx.Dialog):
    '''A wx.Dialog that allows a user to input an arbitrary expression
    to be evaluated and possibly minimized.

    To do this, the user assigns a new (free) or existing
    GSAS-II parameter to each parameter label used in the expression.
    The free parameters can optionally be designated to be refined. 
    For example, is an expression is used such as::

    'A*np.exp(-B/C)'

    then A, B and C can each be assigned as Free parameter with a user-selected
    value or to any existing GSAS-II variable in the parameter dictionary.
    As the expression is entered it is checked for validity.

    After the :class:`ExpressionDialog` object is created, use :meth:`Show` to
    run it and obtain a :class:`GSASIIobj.ExpressionObj` object with the user
    input.

    :param wx.Frame parent: The parent of the Dialog. Can be None,
      but better is to provide the name of the Frame where the dialog
      is called.
    :param dict parmDict: a dict with defined parameters and their values. Each value
      may be a list with parameter values and a refine flag or may just contain
      the parameter value (non-float/int values in dict are ignored)
    :param exprObj: a :class:`GSASIIobj.ExpressionObj` object with an expression and
      label assignments or None (default)
    :param str wintitle: String placed on title bar of dialog; 
      defaults to "Expression Editor"
    :param str header: String placed at top of dialog to tell the user
      what they will do here; default is "Enter restraint expression here"
    :param bool fit: determines if the expression will be used in fitting (default=True).
      If set to False, refinement flags are not shown
      and Free parameters are not offered as an assignment option.
    :param str VarLabel: an optional variable label to include before the expression
      input. Ignored if None (default)
    :param list depVarDict: a dict of choices for the dependent variable to be
      fitted to the expression and their values. Ignored if None (default).
    :param list ExtraButton: a list with two terms that define [0]: the label
      for an extra button and [1] the callback routine to be used when the
      button is pressed. The button will only be enabled when the OK button can be
      used (meaning the equation/expression is valid). The default is None, meaning this
      will not be used.
    :param list usedVars: defines a list of previously used variable names. These names
      will not be reused as defaults for new free variables.
      (The default is an empty list). 
    :param bool wildCard: If True (default), histogram names are converted to wildcard
      values, as is appropriate for the sequential refinement table
    '''
    def __init__(self, parent, parmDict, exprObj=None,
                 header='Enter restraint expression here',
                 wintitle='Expression Editor',
                 fit=True,VarLabel=None,depVarDict=None,
                 ExtraButton=None,usedVars=[],
                 wildCard=True):
        self.fit = fit
        self.depVarDict = depVarDict
        'dict for dependent variables'
        self.parmDict = {}
        '''A copy of the G2 parameter dict (parmDict) except only numerical
        values are included and only the value (not the vary flag, if present)
        is included.
        '''
        self.exprVarLst = []
        '''A list containing the variables utilized in the current expression.
        Placed into a :class:`GSASIIobj.ExpressionObj` object when the dialog is closed
        with "OK", saving any changes.
        '''
        self.varSelect = {}
        '''A dict that shows the variable type for each label
        found in the expression.

        * If the value is None or is not defined, the value is not assigned.
        * If the value is 0, then the varible is "free" -- a new refineable
          parameter.
        * Values above 1 determine what variables will be shown
          when the option is selected. 
        '''
        self.varName = {}
        'Name assigned to each variable'
        self.varValue = {}
        'Value for a variable (Free parameters only)'
        self.varRefflag = {}
        'Refinement flag for a variable (Free parameters only)'
        self.expr = ''
        'Expression as a text string'
        self.dependentVar = None
        'name for dependent variable selection, when depVarDict is specified'
        self.usedVars = usedVars
        'variable names that have been used and should not be reused by default'
        self.wildCard = wildCard
        defSize = (620,340) # seems like a good size
        'Starting size for dialog'

        # process dictionary of values and create an index
        for key in parmDict:
            try: # deal with values that are in lists
                val = parmDict[key][0]
            except KeyError:
                continue # there were dicts in parmDict (should be gone now)
            except (TypeError,IndexError):
                val = parmDict[key]
            if '2' in platform.python_version_tuple()[0]: 
                basestr = basestring
            else:
                basestr = str
            if isinstance(val, basestr): continue
            try:
                self.parmDict[key] = float(val)
            except:
                pass
        # separate the variables by type
        self.parmLists = IndexParmDict(self.parmDict,self.fit)
        self.timer = wx.Timer()
        self.timer.Bind(wx.EVT_TIMER,self.OnValidate)
        LoadDefaultExpressions()
        style=wx.DEFAULT_DIALOG_STYLE | wx.RESIZE_BORDER
        wx.Dialog.__init__(self, parent, wx.ID_ANY, wintitle, style=style, size=defSize)
        self.mainsizer = wx.BoxSizer(wx.VERTICAL)
        label = wx.StaticText(self,  wx.ID_ANY, header)
        self.mainsizer.Add(label, 0, wx.ALIGN_CENTRE|wx.ALL, 5)

        self.exsizer = wx.BoxSizer(wx.HORIZONTAL)
        if VarLabel:
            label = wx.StaticText(self,  wx.ID_ANY, VarLabel + ' = ')
            self.exsizer.Add(label, 0, wx.ALL|wx.EXPAND, 0)
        elif depVarDict:
            self.depParmLists = IndexParmDict(self.depVarDict,False)
            choices = ['','Phase','Hist./Phase','Hist.','Global']
            for i in range(1,len(choices)): # remove empty menus from choice list
                if not len(self.depParmLists[i]): choices[i] = ''
            self.depChoices = [i for i in range(len(choices)) if choices[i]]
            choice = wx.Choice(
                self, wx.ID_ANY,
                choices = [choices[i] for i in self.depChoices]
                )
            choice.SetSelection(wx.NOT_FOUND)
            choice.Bind(wx.EVT_CHOICE,self.OnDepChoice)
            self.exsizer.Add(choice, 0, wx.ALL|wx.EXPAND, 0)
            self.exsizer.Add((5,5))
            self.depLabel = wx.StaticText(self,  wx.ID_ANY, ' ')
            self.exsizer.Add(self.depLabel, 0, wx.ALL|wx.EXPAND, 0)
            label = wx.StaticText(self,  wx.ID_ANY, ' = ')
            self.exsizer.Add(label, 0, wx.ALL|wx.EXPAND, 0)

        #self.exCtrl = wx.TextCtrl(self,  wx.ID_ANY, size=(150,-1),style=wx.TE_PROCESS_ENTER)
        self.exCtrl = wx.ComboBox(self, wx.ID_ANY, "", (90, 50), (160, -1),
            defaultExpressions,wx.CB_DROPDOWN| wx.TE_PROCESS_ENTER)
        self.exCtrl.Bind(wx.EVT_CHAR, self.OnChar)
        self.exCtrl.Bind(wx.EVT_COMBOBOX, self.OnValidate)
        self.exCtrl.Bind(wx.EVT_TEXT_ENTER, self.OnValidate)
        self.exsizer.Add(self.exCtrl, 1, wx.ALL|wx.EXPAND, 0)
        #self.mainsizer.Add(self.exCtrl, 0, wx.ALL|wx.EXPAND, 5)
        self.mainsizer.Add(self.exsizer, 0, wx.ALL|wx.EXPAND, 5)
        self.mainsizer.Add((-1,5),0,wx.EXPAND,1)

        evalSizer = wx.BoxSizer(wx.HORIZONTAL)
        self.mainsizer.Add(evalSizer,0,wx.ALL|wx.EXPAND,0)
        btn = wx.Button(self, wx.ID_ANY,"Validate")
        btn.Bind(wx.EVT_BUTTON,self.OnValidate)
        evalSizer.Add(btn,0,wx.LEFT|wx.RIGHT,5)
        self.result = wx.StaticText(self,  wx.ID_ANY, '')
        evalSizer.Add(self.result, 0, wx.ALIGN_CENTRE|wx.ALL, 5)

        self.varSizer = wx.BoxSizer(wx.HORIZONTAL)
        self.mainsizer.Add(self.varSizer,1,wx.ALL|wx.EXPAND,1)
        self.mainsizer.Add((-1,5),0,wx.EXPAND,1)

        bSizer = wx.BoxSizer(wx.HORIZONTAL)
        btnsizer = wx.StdDialogButtonSizer()
        if ExtraButton:
            self.ExtraBtn = wx.Button(self, wx.ID_ANY, ExtraButton[0])
            self.ExtraBtn.Bind(wx.EVT_BUTTON,self.OnExtra)
            self.ExtraCallBack = ExtraButton[1]
            self.ExtraBtn.Disable()
            bSizer.Add(self.ExtraBtn, 0, wx.ALL|WACV, 2)
        else:
            self.ExtraBtn = None
        bSizer.Add((1,1), 1, wx.ALL|wx.EXPAND, 0)
        self.OKbtn = wx.Button(self, wx.ID_OK)
        self.OKbtn.Bind(wx.EVT_BUTTON,lambda event: self.EndModal(wx.ID_OK))
        self.OKbtn.SetDefault()
        self.OKbtn.Disable()
        btnsizer.AddButton(self.OKbtn)
        btn = wx.Button(self, wx.ID_CANCEL)
        btn.Bind(wx.EVT_BUTTON,lambda event: self.EndModal(wx.ID_CANCEL))
        btnsizer.AddButton(btn)
        btnsizer.Realize()
        bSizer.Add(btnsizer, 0, WACV|wx.ALL, 5)
        self.mainsizer.Add(bSizer, 0, wx.ALL|wx.EXPAND, 5)
        self.SetSizer(self.mainsizer)
        self.CenterOnParent()
        if exprObj:
            self.expr = exprObj.EditExpression(
                self.exprVarLst,
                self.varSelect,
                self.varName,
                self.varValue,
                self.varRefflag,
                )
            # set the initial value for the dependent value
            if self.depVarDict:
                var = exprObj.GetDepVar()
                if var in self.depVarDict:
                    self.depLabel.SetLabel(var)
                    self.dependentVar = var
                    
        self.exCtrl.SetValue(self.expr)
        self.OnValidate(None)
        self.SetMinSize(defSize) 
        #self.errbox.SetAutoLayout(1)
        #self.errbox.SetupScrolling()
        #self.varbox.SetAutoLayout(1)
        #self.varbox.SetupScrolling()
        #self.mainsizer.Fit(self)

    def OnExtra(self,event):
        exprObj = G2obj.ExpressionObj()
        exprObj.LoadExpression(
            self.expr,
            self.exprVarLst,
            self.varSelect,
            self.varName,
            self.varValue,
            self.varRefflag,
            )
        if self.depVarDict:
            exprObj.SetDepVar(self.dependentVar)
        self.ExtraCallBack(exprObj)
        # put results back into displayed dialog
        resDict = dict(exprObj.GetVariedVarVal())
        for v,var in self.varName.items():
            varname = "::" + var.lstrip(':').replace(' ','_').replace(':',';')
            val =  resDict.get(varname)
            if val:
                self.varValue[v] = val
        wx.CallLater(100,self.Repaint,exprObj)

    def Show(self,mode=True):
        '''Call to use the dialog after it is created.

        :returns: None (On Cancel) or a new :class:`~GSASIIobj.ExpressionObj`
        '''
        self.Layout()
        #self.mainsizer.Fit(self)
        self.SendSizeEvent() # force repaint
        if self.ShowModal() == wx.ID_OK:
            # store the edit results in the object and return it
            exprObj = G2obj.ExpressionObj()
            exprObj.LoadExpression(
                self.expr,
                self.exprVarLst,
                self.varSelect,
                self.varName,
                self.varValue,
                self.varRefflag,
                )
            if self.depVarDict:
                exprObj.SetDepVar(self.dependentVar)
            return exprObj
        else:
            return None
        
    def setEvalResult(self,msg):
        'Show a string in the expression result area'
        self.result.SetLabel(msg)

    def RestartTimer(self):
        '''Cancels any running timer and starts a new one.
        The timer causes a check of syntax after 2 seconds unless there is further input.
        Disables the OK button until a validity check is complete.
        '''
        if self.timer.IsRunning():
            self.timer.Stop()
        self.timer.Start(2000,oneShot=True)
        
    def OnChar(self,event):
        '''Called as each character is entered. Cancels any running timer
        and starts a new one. The timer causes a check of syntax after 2 seconds
        without input.
        Disables the OK button until a validity check is complete.
        '''
        self.RestartTimer()
        self.OKbtn.Disable()
        if self.ExtraBtn: self.ExtraBtn.Disable()
        event.Skip()
        return
    
    def CheckVars(self):
        '''Check that appropriate variables are defined for each
        symbol used in :data:`self.expr`

        :returns: a text error message or None if all needed input is present       
        '''
        invalid = 0
        for v in self.exprVarLst:
            if self.varSelect.get(v) is None:
                invalid += 1
        if invalid==1:
            return '(a variable is not assigned)'
        elif invalid:
            return '('+str(invalid)+' variables are not assigned)'
        msg = ''
        for v in self.exprVarLst:
            varname = self.varName.get(v)
            if not varname:
                invalid += 1
                if msg: msg += "; "
                msg += 'No variable for '+str(v)
            elif self.varSelect.get(v,0) > 0:
                if varname in self.parmDict:
                    pass
                elif '*' in varname:
                   l = G2obj.LookupWildCard(varname,list(self.parmDict.keys()))
                   if len(l) == 0:
                       invalid += 1
                       if msg: msg += "; "
                       msg += 'No variables match '+str(varname)
                elif varname not in self.parmDict:
                   invalid += 1
                   if msg: msg += "; "
                   msg += 'No variables match '+str(varname)
            else:
                # value assignment: this check is likely unneeded
                val = self.varValue.get(v)
                try:
                    float(val)
                except (ValueError,TypeError):
                    invalid += 1
                    if msg: msg += "; "
                    if val is None:
                        msg += 'No value for '+str(v)
                    else:
                        msg += 'Value '+str(val)+' invalid for '+str(v)
        if invalid:
            return '('+msg+')'        
        return

    def OnDepChoice(self,event):
        '''Respond to a selection of a variable type for a label in
        an expression
        '''
        if event: event.Skip()
        sel = self.depChoices[event.GetEventObject().GetSelection()]
        var = self.SelectG2var(sel,'Dependent variable',self.depParmLists[sel])
        if var is None:
            self.dependentVar = None
            self.OnValidate(None)
            event.GetEventObject().SetSelection(wx.NOT_FOUND)
            return
        self.dependentVar = var
        self.depLabel.SetLabel(var)
        self.OnValidate(None)
        self.Layout()

    def GetDepVar(self):
        '''Returns the name of the dependent variable, when depVarDict is used.
        '''
        return self.dependentVar
        
    def OnChoice(self,event):
        '''Respond to a selection of a variable type for a label in
        an expression
        '''
        if event: event.Skip()
        v = event.GetEventObject().label
        sel = self.AllowedChoices[event.GetEventObject().GetSelection()]
        if sel == 0:
            sv = G2obj.MakeUniqueLabel(v,self.usedVars)
            self.varSelect[v] = sel
            self.varName[v] = sv
            self.varValue[v] = self.varValue.get(v,0.0)
        else:
            var = self.SelectG2var(sel,v,self.parmLists[sel])
            if var is None:
                self.OnValidate(None)
                return
            self.varSelect[v] = sel
            self.varName[v] = var
        self.OnValidate(None)

    def SelectG2var(self,sel,var,parmList):
        '''Offer a selection of a GSAS-II variable. 

        :param int sel: Determines the type of variable to be selected.
          where 1 is used for Phase variables, and 2 for Histogram/Phase vars,
          3 for Histogram vars and 4 for Global vars.
        :returns: a variable name or None (if Cancel is pressed)
        '''
        def wildHist(var):
            '''Replace a histogram number with a wild card
            '''
            slst = var.split(':')
            if len(slst) > 2 and slst[1]:
                slst[1] = '*'
                return ':'.join(slst)
            return var

        if not parmList:
            return None
        l2 = l1 = 1
        if self.wildCard:
            wildList = [wildHist(i) for i in parmList]
        else:
            wildList = parmList
        for i in wildList:
            l1 = max(l1,len(i))
            loc,desc = G2obj.VarDescr(i)
            l2 = max(l2,len(loc))
        fmt = u"{:"+str(l1)+"s} {:"+str(l2)+"s} {:s}"
        varListlbl = [fmt.format(i,*G2obj.VarDescr(i)) for i in wildList]
        dlg = G2G.G2SingleChoiceDialog(
            self,'Select GSAS-II parameter for variable "'+str(var)+'":',
            'Select parameter',
            varListlbl,monoFont=True)
        dlg.SetSize((625,250))
        dlg.CenterOnParent()
        var = None
        if dlg.ShowModal() == wx.ID_OK:
            i = dlg.GetSelection()
            var = wildList[i]
        dlg.Destroy()
        return var

    def showError(self,msg1,msg2='',msg3=''):
        '''Show an error message of 1 to 3 sections. The second
        section is shown in an equally-spaced font. 
        
        :param str msg1: msg1 is shown in a the standard font
        :param str msg2: msg2 is shown in a equally-spaced (wx.MODERN) font
        :param str msg3: msg3 is shown in a the standard font
        '''
        self.varSizer.Clear(True)
        self.OKbtn.Disable()
        if self.ExtraBtn: self.ExtraBtn.Disable()
        self.varSizer.Clear(True)
        self.errbox = wxscroll.ScrolledPanel(self,style=wx.HSCROLL)
        self.errbox.SetMinSize((200,130))
        self.varSizer.Add(self.errbox,1,wx.ALL|wx.EXPAND,1)
        Siz = wx.BoxSizer(wx.VERTICAL)
        errMsg1 = wx.StaticText(self.errbox, wx.ID_ANY,"")
        Siz.Add(errMsg1, 0, wx.LEFT|wx.EXPAND, 5)
        errMsg2 = wx.StaticText(self.errbox, wx.ID_ANY,"\n\n")
        font1 = wx.Font(errMsg2.GetFont().GetPointSize(),
                        wx.MODERN, wx.NORMAL, wx.NORMAL, False)
        errMsg2.SetFont(font1)
        Siz.Add(errMsg2, 0, wx.LEFT|wx.EXPAND, 5)
        errMsg3 = wx.StaticText(self.errbox, wx.ID_ANY,"")
        Siz.Add(errMsg3, 0, wx.LEFT|wx.EXPAND, 5)
        self.errbox.SetSizer(Siz,True)
        Siz.Fit(self.errbox)
        errMsg1.SetLabel(msg1)
        errMsg2.SetLabel("  "+msg2)
        errMsg2.Wrap(-1)
        errMsg3.SetLabel(msg3)
        self.Layout()

    def OnValidate(self,event):
        '''Respond to a press of the Validate button or when a variable
        is associated with a label (in :meth:`OnChoice`)
        '''
        if event: event.Skip()
        self.setEvalResult('(expression cannot be evaluated)')
        self.timer.Stop()
        self.expr = self.exCtrl.GetValue().strip()
        if not self.expr: 
            wx.CallAfter(self.showError,
                "Invalid Expression:","","      (an expression must be entered)")
            return
        exprObj = G2obj.ExpressionObj()
        ret = exprObj.ParseExpression(self.expr)
        if not ret:
            wx.CallAfter(self.showError,*exprObj.lastError)
            return
        self.exprVarLst,pkgdict = ret
        wx.CallLater(100,self.Repaint,exprObj)

    def Repaint(self,exprObj):
        'Redisplay the variables and continue the validation'
        # create widgets to associate vars with labels and/or show messages
        self.varSizer.Clear(True)
        self.errbox = wxscroll.ScrolledPanel(self,style=wx.HSCROLL)
        self.errbox.SetMinSize((100,130))
        self.varSizer.Add(self.errbox,0,wx.ALL|wx.EXPAND,1)
        self.varbox = wxscroll.ScrolledPanel(self,style=wx.HSCROLL)
        self.varSizer.Add(self.varbox,1,wx.ALL|wx.EXPAND,1)
        Siz = wx.BoxSizer(wx.VERTICAL)
        Siz.Add(
            wx.StaticText(self.varbox,wx.ID_ANY,
                          'Assignment of variables to labels:'),
            0,wx.EXPAND,0)
        GridSiz = wx.FlexGridSizer(0,5,2,2)
        GridSiz.Add(
            wx.StaticText(self.varbox,wx.ID_ANY,'label',style=wx.CENTER),
            0,wx.ALIGN_CENTER)
        lbls = ('varib. type\nselection','variable\nname','value')
        choices = ['Free','Phase','Hist./Phase','Hist.','Global']
        if self.fit:
            lbls += ('refine\nflag',)
        else:
            lbls += ('',)
            choices[0] = ''
        for i in range(1,len(choices)): # remove empty menus from choice list
            if not len(self.parmLists[i]): choices[i] = ''
        self.AllowedChoices = [i for i in range(len(choices)) if choices[i]]
        for lbl in lbls:
            w = wx.StaticText(self.varbox,wx.ID_ANY,lbl,style=wx.CENTER)
            w.SetMinSize((80,-1))
            GridSiz.Add(w,0,wx.ALIGN_CENTER)

        # show input for each var in expression.
        for v in self.exprVarLst:
            # label
            GridSiz.Add(wx.StaticText(self.varbox,wx.ID_ANY,v),0,wx.ALIGN_CENTER,0)
            # assignment type
            ch = wx.Choice(
                self.varbox, wx.ID_ANY,
                choices = [choices[i] for i in self.AllowedChoices]
                )
            GridSiz.Add(ch,0,wx.ALIGN_LEFT,0)
            if v in self.varSelect and self.varSelect.get(v) in self.AllowedChoices:
                i = self.AllowedChoices.index(self.varSelect[v])
                ch.SetSelection(i)
            else:
                ch.SetSelection(wx.NOT_FOUND)
            ch.label = v
            ch.Bind(wx.EVT_CHOICE,self.OnChoice)

            # var name/var assignment
            if self.varSelect.get(v) is None:
                GridSiz.Add((-1,-1),0,wx.EXPAND,0)
            elif self.varSelect.get(v) == 0:
                wid = G2G.ValidatedTxtCtrl(self.varbox,self.varName,v,size=(50,-1))
                GridSiz.Add(wid,0,wx.EXPAND,0)
            else:
                wid = wx.StaticText(self.varbox,wx.ID_ANY,self.varName[v])
                GridSiz.Add(wid,0,wx.ALIGN_LEFT,0)

            # value
            if self.varSelect.get(v) is None:
                GridSiz.Add((-1,-1),0,wx.EXPAND,0)
            elif self.varSelect.get(v) == 0:
                wid = G2G.ValidatedTxtCtrl(self.varbox,self.varValue,v,size=(75,-1))
                GridSiz.Add(wid,0,wx.EXPAND,0)
                wid.Bind(wx.EVT_CHAR,self.OnChar)
            else:
                var = self.varName[v]
                if var in self.parmDict:
                    val = self.parmDict[var]
                    s = G2fil.FormatSigFigs(val).rstrip('0')
                elif '*' in var:
                    vs = G2obj.LookupWildCard(var,self.parmDict.keys())
                    s = '('+str(len(vs))+' values)'
                else:
                    s = '?'
                wid = wx.StaticText(self.varbox,wx.ID_ANY,s)
                GridSiz.Add(wid,0,wx.ALIGN_LEFT,0)

            # show a refine flag for Free Vars only
            if self.varSelect.get(v) == 0 and self.fit:
                self.varRefflag[v] = self.varRefflag.get(v,True)
                wid = G2G.G2CheckBox(self.varbox,'',self.varRefflag,v)
                GridSiz.Add(wid,0,wx.EXPAND,0)
            else:
                wid = (-1,-1)
                GridSiz.Add(wid,0,wx.EXPAND,0)

        Siz.Add(GridSiz)
        self.varbox.SetSizer(Siz,True)

        # evaluate the expression, displaying errors or the expression value
        try:
            msg = self.CheckVars() 
            if msg:
                self.setEvalResult(msg)
                return
            exprObj.LoadExpression(
                self.expr,
                self.exprVarLst,
                self.varSelect,
                self.varName,
                self.varValue,
                self.varRefflag,
                )
            try:
                calcobj = G2obj.ExpressionCalcObj(exprObj)
                calcobj.SetupCalc(self.parmDict)
                val = calcobj.EvalExpression()
            except Exception as msg:
                self.setEvalResult("Error in evaluation: "+str(msg))
                return
            if not np.isfinite(val):
                self.setEvalResult("Expression value is infinite or out-of-bounds")
                return
            s = G2fil.FormatSigFigs(val).rstrip('0')
            depVal = ""
            if self.depVarDict:
                if not self.dependentVar:
                    self.setEvalResult("A dependent variable must be selected.")
                    return
                depVal = '; Variable "' + self.dependentVar + '" = ' + str(
                    self.depVarDict.get(self.dependentVar,'?')
                    )
            self.setEvalResult("Expression evaluates to: "+str(s)+depVal+
                                   " with first defined values")
            self.OKbtn.Enable()
            if self.ExtraBtn: self.ExtraBtn.Enable()
        finally:  
            xwid,yhgt = Siz.Fit(self.varbox)
            self.varbox.SetMinSize((xwid,130))
            self.varbox.SetAutoLayout(1)
            self.varbox.SetupScrolling()
            self.varbox.Refresh()
            self.Layout()
            self.SendSizeEvent() # force repaint
            
#==========================================================================
class BondDialog(wx.Dialog):
    '''A wx.Dialog that allows a user to select a bond length to be evaluated.
    What needs to be done here? Need phase info for atoms
    0. Select phase
    1. Select 1st atom from dialog
    2. Find neighbors & select one from dialog
    3. Set up distance equation & save it - has to look like result from Show in above ExpressionDialog        
    Use existing bond & esd calculate routines
    '''
    def __init__(self, parent, Phases, parmDict, exprObj=None,
                 header='Select a bond for table',
                 wintitle='Select bond',
                 VarLabel=None,depVarDict=None,
                 ExtraButton=None,usedVars=[]):
        wx.Dialog.__init__(self,parent,wx.ID_ANY,wintitle, 
            pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
        self.panel = wx.Panel(self)         #just a dummy - gets destroyed in Draw!
        self.parent = parent
        self.Phases = Phases
        self.parmDict = parmDict
        self.header = header
        self.pName = list(Phases.keys())[0]
        self.Oatom = ''
        self.Tatom = ''
        if 'DisAglCtls' not in self.Phases[self.pName]['General']:
            self.OnSetRadii(None)
        else:
            self.Draw()
        
    def OnSetRadii(self,event):
        if 'DisAglCtls' in self.Phases[self.pName]['General']:
            DisAglCtls = copy.deepcopy(self.Phases[self.pName]['General']['DisAglCtls'])
        else:
            DisAglCtls = {}
        dlg = G2G.DisAglDialog(self.parent,DisAglCtls,self.Phases[self.pName]['General'],Reset=False)
        if dlg.ShowModal() == wx.ID_OK:
            self.Phases[self.pName]['General']['DisAglCtls'] = dlg.GetData()
        dlg.Destroy()
        wx.CallAfter(self.Draw)
        
    def Draw(self):
        'paints the distance dialog window'
        def OnPhase(event):
            Obj = event.GetEventObject()
            self.pName = Obj.GetValue()
            self.Oatom = ''
            if 'DisAglCtls' not in self.Phases[self.pName]['General']:
                self.OnSetRadii(None)
            else:
                wx.CallAfter(self.Draw)
            
        def OnOrigAtom(event):
            Obj = event.GetEventObject()
            self.Oatom = Obj.GetValue()
            wx.CallAfter(self.Draw)
            
        def OnTargAtom(event):
            Obj = event.GetEventObject()
            self.Tatom = Obj.GetValue()
            wx.CallAfter(self.Draw)

        self.panel.Destroy()
        self.panel = wx.Panel(self)
        mainSizer = wx.BoxSizer(wx.VERTICAL)
        mainSizer.Add(wx.StaticText(self.panel,label=self.header))
        pNames = list(self.Phases.keys())
        phaseSizer = wx.BoxSizer(wx.HORIZONTAL)
        phaseSizer.Add(wx.StaticText(self.panel,label=' Select phase: '),0,WACV)
        phase = wx.ComboBox(self.panel,value=self.pName,choices=pNames,
            style=wx.CB_READONLY|wx.CB_DROPDOWN)
        phase.Bind(wx.EVT_COMBOBOX,OnPhase)
        phaseSizer.Add(phase,0,WACV)
        phaseSizer.Add((15,-1))
        radii = wx.Button(self.panel,label='Set search radii')
        radii.Bind(wx.EVT_BUTTON,self.OnSetRadii)
        phaseSizer.Add(radii,0,WACV)
        mainSizer.Add(phaseSizer)
        Phase = self.Phases[self.pName]
        cx,ct = Phase['General']['AtomPtrs'][:2]
        Atoms = Phase['Atoms']
        aNames = [atom[ct-1] for atom in Atoms]
        atomSizer = wx.BoxSizer(wx.HORIZONTAL)
        atomSizer.Add(wx.StaticText(self.panel,label=' Origin atom: '),0,WACV)
        if not self.Oatom and len(aNames) > 0: # select an atom so distances get computed
            self.Oatom = aNames[0]
        origAtom = wx.ComboBox(self.panel,value=self.Oatom,choices=aNames,
            style=wx.CB_READONLY|wx.CB_DROPDOWN)
        origAtom.Bind(wx.EVT_COMBOBOX,OnOrigAtom)
        atomSizer.Add(origAtom,0,WACV)
        atomSizer.Add(wx.StaticText(self.panel,label=' distance to: '),0,WACV)
        neigh = []
        bNames = []
        if self.Oatom:
            neigh = G2mth.FindAllNeighbors(Phase,self.Oatom,aNames)
        if neigh:
            bNames = [item[0]+' d=%.3f'%(item[2]) for item in neigh[0]]
        if bNames:
            targAtom = wx.ComboBox(self.panel,value=self.Tatom,choices=['']+bNames,
                style=wx.CB_READONLY|wx.CB_DROPDOWN)
            targAtom.Bind(wx.EVT_COMBOBOX,OnTargAtom)
        else:
            targAtom = wx.StaticText(self.panel,label='(none in search range)')
        atomSizer.Add(targAtom,0,WACV)            
        mainSizer.Add(atomSizer)

        OkBtn = wx.Button(self.panel,-1,"Ok")
        OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
        OkBtn.Enable(bool(self.Tatom))
        cancelBtn = wx.Button(self.panel,-1,"Cancel")
        cancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
        btnSizer = wx.BoxSizer(wx.HORIZONTAL)
        btnSizer.Add((20,20),1)
        btnSizer.Add(OkBtn)
        btnSizer.Add((20,20),1)
        btnSizer.Add(cancelBtn)
        btnSizer.Add((20,20),1)
        
        mainSizer.Add(btnSizer,0,wx.EXPAND|wx.BOTTOM|wx.TOP, 10)
        self.panel.SetSizer(mainSizer)
        self.panel.Fit()
        self.Fit()
        self.CenterOnParent()

    def GetSelection(self):
        return self.pName,self.Oatom,self.Tatom

    def OnOk(self,event):
        parent = self.GetParent()
        parent.Raise()
        self.EndModal(wx.ID_OK)

    def OnCancel(self,event):
        parent = self.GetParent()
        parent.Raise()
        self.EndModal(wx.ID_CANCEL)        
            
#==========================================================================
class AngleDialog(wx.Dialog):
    '''A wx.Dialog that allows a user to select a bond angle to be evaluated.
    What needs to be done here? Need phase info for atom
    0. Select phase
    1. Select 1st atom from dialog
    2. Find neighbors & select two from dialog
    3. Set up angle equation & save it - has to look like result from Show in above ExpressionDialog        
    Use existing angle & esd calculate routines
    '''
    def __init__(self, parent, Phases, parmDict, exprObj=None,
                 header='Select an angle for table',
                 wintitle='Select angle',
                 VarLabel=None,depVarDict=None,
                 ExtraButton=None,usedVars=[]):
        wx.Dialog.__init__(self,parent,wx.ID_ANY,wintitle, 
            pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
        self.panel = wx.Panel(self)         #just a dummy - gets destroyed in Draw!
        self.parent = parent
        self.Phases = Phases
        self.parmDict = parmDict
        self.header = header
        self.pName = list(Phases.keys())[0]
        self.Oatom = ''
        self.Tatoms = ''
        if 'DisAglCtls' not in self.Phases[self.pName]['General']:
            self.OnSetRadii(None)
        else:
            self.Draw()

    def OnSetRadii(self,event):
        if 'DisAglCtls' in self.Phases[self.pName]['General']:
            DisAglCtls = copy.deepcopy(self.Phases[self.pName]['General']['DisAglCtls'])
        else:
            DisAglCtls = {}
        dlg = G2G.DisAglDialog(self.parent,DisAglCtls,self.Phases[self.pName]['General'],Reset=False)
        if dlg.ShowModal() == wx.ID_OK:
            self.Phases[self.pName]['General']['DisAglCtls'] = dlg.GetData()
        dlg.Destroy()
        wx.CallAfter(self.Draw)
        
    def Draw(self):
        'paints the angle dialog window'
        def OnPhase(event):
            Obj = event.GetEventObject()
            self.pName = Obj.GetValue()
            self.Oatom = ''
            if 'DisAglCtls' not in self.Phases[self.pName]['General']:
                self.OnSetRadii(None)
            else:
                wx.CallAfter(self.Draw)
            
        def OnOrigAtom(event):
            Obj = event.GetEventObject()
            self.Oatom = Obj.GetValue()
            wx.CallAfter(self.Draw)            

        def OnTargAtoms(event):
            Obj = event.GetEventObject()
            self.Tatoms = Obj.GetValue()
            wx.CallAfter(self.Draw)

        self.panel.Destroy()
        self.panel = wx.Panel(self)
        mainSizer = wx.BoxSizer(wx.VERTICAL)
        mainSizer.Add(wx.StaticText(self.panel,label=self.header))
        pNames = list(self.Phases.keys())
        phaseSizer = wx.BoxSizer(wx.HORIZONTAL)
        phaseSizer.Add(wx.StaticText(self.panel,label=' Select phase: '),0,WACV)
        phase = wx.ComboBox(self.panel,value=self.pName,choices=pNames,
            style=wx.CB_READONLY|wx.CB_DROPDOWN)
        phase.Bind(wx.EVT_COMBOBOX,OnPhase)
        phaseSizer.Add(phase,0,WACV)
        phaseSizer.Add((15,-1))
        radii = wx.Button(self.panel,label='Set search radii')
        radii.Bind(wx.EVT_BUTTON,self.OnSetRadii)
        phaseSizer.Add(radii,0,WACV)
        mainSizer.Add(phaseSizer)
        Phase = self.Phases[self.pName]
        cx,ct = Phase['General']['AtomPtrs'][:2]
        Atoms = Phase['Atoms']
        aNames = [atom[ct-1] for atom in Atoms]
        atomSizer = wx.BoxSizer(wx.HORIZONTAL)
        atomSizer.Add(wx.StaticText(self.panel,label=' Origin atom (O in A-O-B): '),0,WACV)
        if not self.Oatom and len(aNames) > 0: # select an atom so angles get computed
            self.Oatom = aNames[0]
        origAtom = wx.ComboBox(self.panel,value=self.Oatom,choices=aNames,
            style=wx.CB_READONLY|wx.CB_DROPDOWN)
        origAtom.Bind(wx.EVT_COMBOBOX,OnOrigAtom)
        atomSizer.Add(origAtom,0,WACV)        
        mainSizer.Add(atomSizer)
        atomSizer = wx.BoxSizer(wx.HORIZONTAL)
        atomSizer.Add(wx.StaticText(self.panel,label=' A-O-B angle for A,B: '),0,WACV)
        neigh = []
        bNames = []
        if self.Oatom:
            neigh = G2mth.FindAllNeighbors(Phase,self.Oatom,aNames,searchType='Angle')[0]
        if neigh:
            for iA,aName in enumerate(neigh):
                for cName in neigh[iA+1:]:
                    bNames.append('%s;%s'%(aName[0].replace(' ',''),cName[0].replace(' ','')))
        if bNames:
            targAtoms = wx.ComboBox(self.panel,value=self.Tatoms,choices=['']+bNames,
                    style=wx.CB_READONLY|wx.CB_DROPDOWN)
            targAtoms.Bind(wx.EVT_COMBOBOX,OnTargAtoms)
            atomSizer.Add(targAtoms,0,WACV)
            if self.Tatoms:
                aobj = G2obj.makeAngleObj(self.Phases[self.pName],self.Oatom,self.Tatoms)
                calcobj = G2obj.ExpressionCalcObj(aobj)
                calcobj.UpdateDict(self.parmDict)
                atomSizer.Add(wx.StaticText(self.panel,
                    label=' = {:.2f} deg'.format(calcobj.EvalExpression())),
                                                0,WACV)
        else:
            atomSizer.Add(wx.StaticText(self.panel,label='(none in search range)'))
        mainSizer.Add(atomSizer)

        OkBtn = wx.Button(self.panel,-1,"Ok")
        OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
        OkBtn.Enable(bool(self.Tatoms))
        cancelBtn = wx.Button(self.panel,-1,"Cancel")
        cancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
        btnSizer = wx.BoxSizer(wx.HORIZONTAL)
        btnSizer.Add((20,20),1)
        btnSizer.Add(OkBtn)
        btnSizer.Add((20,20),1)
        btnSizer.Add(cancelBtn)
        btnSizer.Add((20,20),1)
        
        mainSizer.Add(btnSizer,0,wx.EXPAND|wx.BOTTOM|wx.TOP, 10)
        self.panel.SetSizer(mainSizer)
        self.panel.Fit()
        self.Fit()
        self.CenterOnParent()

    def GetSelection(self):
        return self.pName,self.Oatom,self.Tatoms

    def OnOk(self,event):
        parent = self.GetParent()
        parent.Raise()
        self.EndModal(wx.ID_OK)

    def OnCancel(self,event):
        parent = self.GetParent()
        parent.Raise()
        self.EndModal(wx.ID_CANCEL)        
                    
        
if __name__ == "__main__":
    app = wx.PySimpleApp() # create the App
    frm = wx.Frame(None)
    frm.Show()
    PSvarDict = {'::a':1.0,'::b':1.1,'0::c':1.2,'::AlongVaraiableName':1000.}
    #PSvars = PSvarDict.keys()
    indepvarDict = {'Temperature':1.0,'Pressure':1.1,'Phase of Moon':1.2,'1:1:HAP':1.3}
    dlg = ExpressionDialog(frm,indepvarDict,
                           header="Edit the PseudoVar expression",
                           fit=False,
                           depVarDict=PSvarDict,
                           #VarLabel="New PseudoVar",                           
                           )
    newobj = dlg.Show(True)
    dlg = ExpressionDialog(frm,indepvarDict,newobj,
                           header="Edit the PseudoVar expression",
                           fit=False,
                           depVarDict=PSvarDict,
                           #VarLabel="New PseudoVar",                           
                           )
    newobj = dlg.Show(True)
    print (dlg.GetDepVar())
    dlg = ExpressionDialog(frm,PSvarDict,
                           header="Edit the PseudoVar expression",
                           fit=True)
    newobj = dlg.Show(True)
    print (dlg.GetDepVar())

    #app.MainLoop()

    if '2' in platform.python_version_tuple()[0]:
        import cPickle
    else:
        import pickle as cPickle
    def showEQ(calcobj):
        print
        print (calcobj.eObj.expression)
        for v in sorted(calcobj.eObj.freeVars.keys()+calcobj.eObj.assgnVars.keys()):
            print ("  ",v,'=',calcobj.exprDict[v])
        print (calcobj.EvalExpression())
    print ("starting test")
    obj = G2obj.ExpressionObj()
    obj.expression = "A*np.exp(B)"
    obj.assgnVars =  {'B': '0::Afrac:*'}
    obj.freeVars =  {'A': [u'A', 0.5, True]}
    obj.CheckVars()
    parmDict2 = {'0::Afrac:0':1.0, '0::Afrac:1': 1.0}
    calcobj = G2obj.ExpressionCalcObj(obj)
    calcobj.SetupCalc(parmDict2)
    showEQ(calcobj)
    fp = open('/tmp/obj.pickle','w')
    cPickle.dump(obj,fp)
    fp.close()
    
    obj.expression = "A*np.exp(-2/B)"
    obj.assgnVars =  {'A': '0::Afrac:0', 'B': '0::Afrac:1'}
    obj.freeVars =  {}
    parmDict1 = {'0::Afrac:0':1.0, '0::Afrac:1': -2.0}
    calcobj = G2obj.ExpressionCalcObj(obj)
    calcobj.SetupCalc(parmDict1)
    showEQ(calcobj)

    fp = open('/tmp/obj.pickle','r')
    obj = cPickle.load(fp)
    fp.close()
    parmDict2 = {'0::Afrac:0':0.0, '0::Afrac:1': 1.0}
    calcobj = G2obj.ExpressionCalcObj(obj)
    calcobj.SetupCalc(parmDict2)
    showEQ(calcobj)

    parmDict2 = {'0::Afrac:0':1.0, '0::Afrac:1': 1.0}
    calcobj = G2obj.ExpressionCalcObj(obj)
    calcobj.SetupCalc(parmDict2)
    showEQ(calcobj)