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view.py
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#!/bin/sh
# -*- coding: utf-8
# fumodel Version histrory
# ver.0.1.2 (20Feb2014)
import sys
sys.path.insert(0,'.')
import wxversion
wxversion.select("2.8")
import wx
import os
import shutil
# import psutil
import datetime
import time
import platform
import subprocess
import functools
import threading
import glob
import numpy
import copy
import cPickle as pickel
import wx.glcanvas
import wx.py.crust
#from wx.lib.splitter import MultiSplitterWindow
import scipy
if int(scipy.__version__.split('.')[1]) >= 11:
from scipy.sparse.csgraph import _validation # need for pyinstaller
from scipy.optimize import minimize # need for pyinstaller
from operator import itemgetter
import const
import lib
import molec
import subwin
import ctrl
import draw
import graph
import cube
#try: import fortlib
#except: pass
#import fmopdb
try: import fmopdb
except: pass
import fumodel
class View_Frm(wx.Frame):
# fumodel Main Window
""" Main window of fumodel
:param obj parent: parent window object
:param lst winpos: window position list, [x(int),y(int)]
:param lst winsize: window size list, [width(int),hight(int)]
:param obj model: controller object, 'model'(a instance of 'Model' class) is controller for fumodel
"""
def __init__(self,parent,id,winpos=[],winsize=[]): #,model):
#winsize=(640,400)
super(View_Frm,self).__init__(parent,id,pos=winpos,size=winsize,
name='FUMDLWIN')
self.parent=parent
# controller
#elf.model=model
self.model=parent
# controllers
self.winctrl=None
self.draw=None
self.canvas=None
self.title=''
#
self.mousemode=None
self.molchoice=None
self.setctrl=None
self.mousectrl=None
self.menuctrl=None
#
self.textmess=None
self.textmessage=''
self.textcolor=[]
#
self.windowposition=winpos
self.windowsize=winsize
#
self.textfont = wx.Font(8, wx.FONTFAMILY_DEFAULT, wx.FONTSTYLE_NORMAL,
wx.FONTWEIGHT_BOLD, False, 'Courier 10 Pitch')
self.font1 = wx.Font(10, wx.MODERN, wx.NORMAL, wx.NORMAL, False, u'Consolas')
self.textcol='black'
# set frame font
lib.SetFrameFont(self)
"""
self.font=self.GetFont()
print 'font family',self.font.GetFamily()
print 'font size',self.font.GetPointSize()
print 'font size',self.font.GetFaceName()
self.font1 = wx.Font(8, wx.ROMAN, wx.NORMAL, wx.NORMAL, False, u'Roman')
#self.font.SetPointSize(8)
self.SetFont(self.font1)
"""
#
self.autoopenmolwin=True
#self.molwinshape=0
self.molwinshape=self.model.setctrl.GetParam('molchoice-win-shape')
#self.muswinshape=0
self.muswinshape=self.model.setctrl.GetParam('mousemode-win-shape')
#
self.winopendic={}
self.fmomenu=False
#!!!self.addmenu1=[]; self.addmenu2=[]
# initial setting, current status
self.shlwin=True; self.openshlwin=True; self.hideshlwin=False
self.molwin=True; self.openmolwin=False
self.muswin=True; self.openmuswin=False
self.remwin=False; self.openremwin=False
self.remarkwin=None
self.fmomenu=False
self.Addmenu=False
# Create StatusBar
self.statusbar=self.CreateStatusBar()
self.statusbar.SetFieldsCount(3)
self.statusbar.SetStatusWidths([-8,-2,-1])
self.busyind=0
self.busycount=0
self.busyindicator=None
#self.CreateBysyIndicator()
self.BusyIndicator('Open')
self.busyindicator.Bind(wx.EVT_LEFT_DOWN,self.ResetBusyIndicator)
#self.BusyIndicator('Open')
self.Show()
def CreateViewPanel(self,model,fumode):
# model(ins): Model instance
# fumode(int): 0:for fumodel, 1:for fuplot
self.model=model
self.setctrl=model.setctrl
self.bgcolor=self.setctrl.GetParam('win-color') #bgcolor
#self.fumode=fumode # fumode=0 for fumodel and =1 for fuPlot
#self.fmomenu=fmomenu #fmomenu
self.winctrl=model.winctrl
self.mousectrl=model.mousectrl
self.menuctrl=model.menuctrl
#xxself.ctrlflag=model.ctrlflag
self.title=self.model.fuversion
lib.AttachIcon(self,const.FUMODELICON) # icon
#
self.framesize=self.GetClientSize()
self.canvassize=[]
# Create MenuBar
fmomenu=self.model.setctrl.GetParam('fmo-menu') #fmomenu
addon1menu=self.model.setctrl.GetParam('add-on1-menu') #addon1menu
addon2menu=self.model.setctrl.GetParam('add-on2-menu') #addon2menu
self.menuctrl.CreateMenuBar(fumode,fmomenu,addon1menu,addon2menu)
self.SetMenuBar(self.menuctrl.menubar) # set menubar on the frame
""" project. disabled 06Jan2016. Uncomment the following bloch for revive
# project menu (post edit menu items)
self.menuctrl.CreateProjectMenuItems()
curprj=self.setctrl.GetCurPrj()
self.menuctrl.CheckMenu(curprj,True)
"""
# file history menu (post edit menu items)
if self.model.filehistory.GetNumberOfData() > 0:
self.menuctrl.CreateFileHistoryMenuItems()
# Rmove FMO menu?
if not self.model.setctrl.GetParam('fmo-menu'):
self.menuctrl.RemoveMenuItem('FMO data')
self.popmenu=None # PopupMenu
#XXX#if not self.model.Ready(): self.menuctrl.EnableMenu(False)
self.menuctrl.CheckMenu("Enable MessageBoxOK",True)
# accept drop files
droptarget=lib.DropFileTarget(self)
self.SetDropTarget(droptarget)
#self.canvas=draw.GLCanvas(self)
self.draw=draw.MolDraw(self)
self.canvas=self.draw.canvas
self.model.draw=self.draw
#self.canvas=draw.GLCanvas(self.draw) #self)
# activate event handler for thread execution
#subwin.ExecProg_Frm.EVT_THREADNOTIFY(self,self.OnThreadJobEnded)
# set title
self.SetTitle(self.title)
self.winopendic={} # windows status flags
# open mouse mode setting panel
self.mousemode=MouseMode(self)
if self.muswin:
self.mousemode.ChangeShape(self.muswinshape)
self.OpenMouseModeWin()
# molecule choice panel
self.molchoice=MolChoice(self)
if self.molwin:
self.molchoice.ChangeShape(self.molwinshape)
self.OpenMolChoiceWin()
# open pyshell win
if self.shlwin:
self.model.menuctrl.OnWindow('Open PyShell',True)
#pyshell=self.model.winctrl.GetWin('Open PyShell')
##pyshell.Bind(wx.EVT_SIZE,self.OnResizePyShell)
# set up text message instance, 'textmess'
self.SetUpTextMessage()
# initialize glcanvas
self.draw.Paint()
# window event handlers
self.Bind(wx.EVT_MENU,self.OnMenu)
#
self.Bind(wx.EVT_SET_FOCUS,self.OnFocus)
#self.Bind(wx.EVT_ENTER_WINDOW,self.OnEnterWindow)
#??self.Bind(wx.EVT_LEAVE_WINDOW,self.OnLeaveWindow)
self.Bind(wx.EVT_CLOSE, self.OnClose)
self.Bind(wx.EVT_MOVE,self.OnMove)
self.Bind(wx.EVT_ERASE_BACKGROUND,self.OnEraseBG)
self.Bind(wx.EVT_ICONIZE,self.OnIconize)
# mouse event handler
self.Bind(wx.EVT_LEFT_DOWN,self.OnMouseLeftDown)
self.Bind(wx.EVT_LEFT_UP,self.OnMouseLeftUp)
###self.Bind(wx.EVT_MOTION,self.OnMouseMove)
self.Bind(wx.EVT_MOUSEWHEEL,self.OnMouseWheel)
self.Bind(wx.EVT_RIGHT_DOWN,self.OnMouseRightDown)
self.Bind(wx.EVT_RIGHT_UP,self.OnMouseRightUp)
self.Bind(wx.EVT_LEFT_DCLICK,self.OnMouseLeftDClick)
# keyboard event handlers
self.Bind(wx.EVT_KEY_DOWN,self.OnKeyDown)
self.Bind(wx.EVT_KEY_UP,self.OnKeyUp)
def OpenDropFiles(self,filenames):
if len(filenames) <= 0: return
extlst=['all']
filelst=lib.ExpandFilesInDirectory(filenames,extlst)
#
for file in filelst:
head,ext=os.path.splitext(file)
if ext == '.gz': file=lib.ZipUnzipFile(file,False)
self.model.ReadFiles(file,True,drop=True)
def SetUpTextMessage(self):
self.textmess=TextMessage(self,'update') # create a instance of 'TextMessage' class
self.textmess.SetWinBGColor([]) # default: 'mdlwin' bgcolor
self.textmess.SetTextBGColor([]) # default: yellow
self.textmess.SetPos([10,80])
def SetAutoOpenMolWin(self,on):
if on: self.autoopenmolwin=True
else: self.autoopenmolwin.False
def GetAutoOpenMolWin(self):
return self.autoopenmolwin
def IsAutoOpenMolWin(self):
return self.autoopenmolwin
def SetMolWinFlag(self,on):
if on: self.molwin=True
else: self.molwin=False
def SetMusWinFlag(self,on):
if on: self.muswin=True
else: self.muswin=False
def SetRemWinFlag(self,on):
if on: self.remwin=True
else: self.remwin=False
def IsMolWinOpen(self):
return self.openmolwin
def IsMusWinOpen(self):
return self.openmuswin
def IsRemWinOpen(self):
return self.openremwin
def SetMolChoiceWinShape(self,shape):
if shape < 0 or shape > 1: return
self.molwinshape=shape
def SetMouseModeWinShape(self,shape):
if shape < 0 or shape > 1: return
self.muswinshape=shape
def ChangeMouseModeWinBGColor(self,color=''):
if len(color) == 0: color='light gray'
self.mousemode.win.bgcolor=color
self.mousemode.win.SetBackgroundColour(color)
self.mousemode.win.Refresh()
def ChangeAppearance(self,winsize,bgcolor,molwinshape,muswinshape,fmomenu,addonmenu):
# not completed yet
self.winsize=winsize
self.bgcolor=bgcolor
if self.openmdlwin: self.mdlwin.Destroy()
fumode=0
self.mdlwin.OpenMdlWin(self,fumode,fmomenu)
def OnIconize(self,event):
iconized=event.Iconized()
pyshell=self.model.winctrl.GetWin('Open PyShell')
if iconized: self.Iconize(True)
else:
self.Raise()
pyshell.SetRect(self.model.pyshellrect)
def OnThreadJobEnded(self,event):
# EVT handler to recieve thread job end
jobnam=event.message
#self.fuprog.ThreadJobEnded(jobnam)
self.model.ThreadJobEnded(jobnam)
def SetRemarkPanelSize(self,pansize):
self.wremarkpan=pansize[0]
self.hremarkpan=pansize[1]
def OpenRemarkPanel(self):
# this panel is created on main window in FMOPlot_Frm
size=self.GetClientSize()
w=size.width; h=size.height
xpos=w-82; ypos=40
self.remarkpanel=wx.Panel(self.canvas,-1,pos=(xpos,ypos),size=(self.wremarkpan,self.hremarkpan))
self.remarkpanel.SetBackgroundColour(self.bgcolor)
self.openremwin=True
#self.remarkpanel=remarkpanel
def OpenMouseModeWin(self):
self.mousemode.ChangeShape(self.muswinshape) # has problem
self.mousemode.CreateWin()
self.mousemode.SetOpen(True)
self.openmuswin=True #self.mousemode.IsOpen()
def CloseMouseModeWin(self):
self.mousemode.DestroyWin()
self.mousemode.SetOpen(False)
self.openmuswin=False
def OpenMolChoiceWin(self):
self.molchoice.ChangeShape(self.molwinshape) # has problem
self.molchoice.CreateWin()
self.molchoice.SetOpen(True)
self.openmolwin=self.molchoice.IsOpen()
def CloseMolChoiceWin(self):
self.molchoice.DestroyWin()
self.openmolwin=False
self.molchoice.SetOpen(False)
def OpenRemarkWin(self):
# this panel is created on main window in FMOPlot_Frm
[w,h]=self.GetClientSize()
[x,y]=self.GetScreenPosition()
#[x,y]=self.GetPosition()
x=x+w-80; y=y+100
#xpos=w-82; ypos=40
bgcolor=self.model.setctrl.GetParam('win-color')
bgcolor=[255*bgcolor[0],255*bgcolor[1],255*bgcolor[2],1.0]
self.remarkwin=Remark_Frm(self,-1,[x,y],(self.wremarkpan,self.hremarkpan),bgcolor)
#self.remarkwin.SetBackgroundColour(bgcolor) #self.draw.bgcolor)
#self.remarkpanel=remarkpanel
###self.remarkpanel=wx.Panel(self.remarkwin,-1,pos=(-1,-1),size=(self.wremarkpan,self.hremarkpan))
###self.remarkpanel.SetBackgroundColour(self.bgcolor)
self.remarkwin.Show()
###self.ctrlflag.Set('*RemarkWin',True)
self.openremwin=True
def CloseRemarkWin(self):
self.remarkwin.Destroy()
self.openremwin=False
self.model.SetSelectAll(False)
self.model.SaveAtomColor(False)
self.model.Message('',0,'')
self.model.DrawMol(True)
def OnMenu(self,event):
# menu event handler
self.menuctrl.OnMenu(event)
def ChoiceMusMod(self,event):
#<2013.2 KK>
item=self.cboxmus.GetStringSelection()
self.ctrl.input.CBChoice(item)
self.cboxmus.SetStringSelection(item)
self.canvas.SetFocus()
def ChoiceSelMod(self,event):
#<2013.2 KK>
item=self.cboxselmod.GetStringSelection()
self.ctrl.input.CBChoice(item)
self.cboxselmod.SetStringSelection(item)
self.canvas.SetFocus()
def ChoiceSelObj(self,event):
#<2013.2 KK>
item=self.cboxselobj.GetStringSelection()
self.ctrl.input.CBChoice(item)
self.cboxselobj.SetStringSelection(item)
self.canvas.SetFocus()
def Message(self,message,loc,color):
# message(str): text
# loc(int): 0:1st, 1:2nd field in statusbar
# color(wx.COLOUR): not used
self.SetStatusText(message,loc)
def SetProjectNameOnTitle(self,curprj):
title=self.setctrl.title+' [ Current Project: '+curprj+' ]'
self.SetTitle(title)
def ModeMessage(self,mess):
#(x,y)=self.GetPosition()
#print 'x,y',x,y
#(w,h)=self.GetClientSize()
#print 'w,h',w,h
#pos=(x+w-50,y+h+10)
#print 'pos',pos
#text=wx.StaticText(self.canvas,-1,mess,pos=pos)
#text.Show()
self.SetStatusText(mess,1)
def XXBusyIndicator(self,cmd,mess=''):
""" Busy indicator on StatusBar(Gauge version)
does not work as expected. 20Feb2016
:param str cmd: 'Open','Close','On' or 'Off'
"""
if cmd != 'Open' and self.busyindicator is None: return
#
if cmd == 'On':
self.busyind += 1
const.CONSOLEMESSAGE('Busy is called. cmd='+cmd+', busyind='+str(self.busyind))
if self.busyind == 1:
self.busytimer.Start(20)
self.busyindicator.SetValue(self.busycount)
self.busyindicator.Refresh()
if len(mess) > 0: self.Message(mess,1,'')
elif cmd == "Off":
self.busyind -= 1
const.CONSOLEMESSAGE('Busy is called. cmd='+cmd+', busyind='+str(self.busyind))
if self.busyind <= 0:
try: self.busytimer.Stop()
except: pass
try:
self.busyindicator.SetValue(0)
self.busyindicator.Refresh()
except: pass
#self.busyind=0
self.Message('',1,'')
elif cmd == 'Open':
if self.busyindicator is None:
rect=self.statusbar.GetFieldRect(2)
pos=rect.GetPosition()
posx=pos[0]+15; posy=pos[1]+5
pansize=[30,10]; panpos=(posx,posy) #(pos[0]+15,pos[1]+5)
self.busytimer=wx.Timer(self)
self.Bind(wx.EVT_TIMER,self.OnBusyTimer,self.busytimer)
self.busycount=0
self.busyindicator=wx.Gauge(self.statusbar,-1,50,pos=panpos,
size=pansize,style=wx.GA_HORIZONTAL) #|wx.GA_SMOOTH)
self.busyindicator.SetBackgroundColour('white')
self.busyindicator.Show()
self.busyind=0
self.Message('',1,'')
elif cmd == 'Close':
self.Message('',1,'')
try:
self.busytimer.Stop()
self.busytimer.Destroy()
except: pass
try: self.busyindicator.Destroy()
except: pass
def OnBusyTimer(self,event):
if self.busytimer is None: return
self.busycount += 1
if self.busycount >= 80 : self.busycount=0 # 120
self.busyindicator.SetValue(self.busycount)
self.busyindicator.Refresh()
def BusyIndicator(self,cmd,mess=''):
""" Busy indicator on StatusBar (panel version)
:param str cmd: 'Open','Close','On' or 'Off'
:param str mess: message in the second field of status bar
"""
if cmd == "On":
self.busyind += 1
self.busyindicator.SetBackgroundColour('green')
self.busyindicator.Refresh()
self.Message(mess,1,'')
elif cmd == "Off":
self.busyind -= 1
if self.busyind <= 0:
self.busyindicator.SetBackgroundColour('white')
self.busyindicator.Refresh()
self.busyind=0
self.Message('',1,'')
#self.busyindicator.Destroy()
elif cmd == 'Open':
if self.busyindicator is None:
rect=self.statusbar.GetFieldRect(2)
pos=rect.GetPosition()
posx=pos[0]+15; posy=pos[1]+5
pansize=[30,10]; panpos=(posx,posy) #(pos[0]+15,pos[1]+5)
self.busyindicator=wx.Panel(self.statusbar,-1,pos=panpos,
size=pansize,style=wx.BORDER)
self.busyindicator.SetBackgroundColour('white')
self.busyindicator.SetToolTipString('Left click to reset')
self.busyindicator.Show()
self.busyind=0
elif cmd == "Close":
self.busyindicator.Destroy()
self.busyind=0
def ResetBusyIndicator(self,event):
""" Reset busy indicator """
self.busyind=1
self.BusyIndicator('Off')
event.Skip()
def OnMove(self,event):
[x,y]=self.GetPosition()
[w,h]=self.GetSize()
dx=x-self.windowposition[0]; dy=y-self.windowposition[1]
dw=w-self.windowsize[0]; dh=h-self.windowsize[1]
if dx == 0 and dy == 0 and dw == 0 and dh == 0: return
#
if not self.model.setctrl.GetParam('pyshellwin-move-free'):
try:
winlabel='Open PyShell'
if self.winctrl.IsOpened(winlabel) and not self.hideshlwin:
self.winctrl.Resize(winlabel)
except: pass
#
try:
if self.mousemode.IsOpen(): self.mousemode.Resize(dx,dy)
#self.mousemode.SetOpen(True)
except: pass
# molchoicewin
try:
#if test:
#print 'molchoicewin isopen',self.molchoice.IsOpen()
if self.molchoice.IsOpen(): self.molchoice.Resize(dx,dy)
#self.molchoice.SetOpen(True)
except: pass
# for FMOViewer
"""
if self.model.fumode == 1: # viewer mode
self.parent.SaveCubeParams()
try:
pos=self.parent.cubewin.GetPosition()
pos[0] += dx; pos[1] += dy
self.parent.cubewin.Destroy()
self.parent.OpenDrawCubeWin()
self.parent.cubewin.SetPosition(pos)
self.parent.ResetCubeParams()
except: pass
"""
# textmessage win
try: self.textmess.RecoverText()
except: pass
# for fuplot
#try:
if self.openremwin:
try:
remarkdata=self.remarkwin.GetRemarkData()
self.CloseRemarkWin() #remarkwin.Destroy()
self.OpenRemarkWin()
#bgcolor=self.model.Getctrl.GetParam('win-color')
#self.remarkwin.ChangeBackgroundColor(bgcolor)
self.remarkwin.SetRemarkData(remarkdata)
self.remarkwin.DrawColorRemark()
except: pass
self.windowposition=[x,y]
self.windowsize=[w,h]
def OnResize(self,event):
self.OnMove(1)
event.Skip()
def OnPaint(self, event):
if self.model.Ready(): return
self.draw.Paint()
def OnEraseBG(self, event):
#<2013.2 KK>
self.draw.EraseBG()
# Keyboard event handler
def OnKeyDown(self,event):
if not self.model.Ready(): return
if self.draw.Busy(): return
###self.timer.Stop()
keycode=event.GetKeyCode()
self.mousectrl.KeyDown(keycode)
event.Skip()
# keyboard commands.
def OnKeyUp(self,event):
if not self.model.Ready(): return
if self.draw.Busy(): return
keycode=event.GetKeyCode()
self.mousectrl.KeyUp(keycode)
event.Skip()
def OnMouseLeftDClick(self,event):
###self.timer.Stop()
pos=event.GetPosition()
self.mousectrl.MouseLeftDClick(pos) #PopupMenu(pos)
event.Skip()
def OnMouseMove(self, event):
if not self.model.Ready(): return
if self.draw.Busy(): return
#self.timer.Stop()
pos=event.GetPosition()
self.mousectrl.MouseMove(pos)
event.Skip()
def OnMouseLeftDown(self, event):
if self.model.mol is None: return
if not self.model.Ready(): return
if self.draw.Busy(): return
pos=event.GetPosition()
self.mousectrl.MouseLeftDown(pos)
#self.timer.Stop()
event.Skip()
def OnMouseLeftSClick(self, event):
if not self.model.Ready(): return
if self.draw.Busy(): return
###self.timer.Stop()
#print 'single click'
pos=self.ScreenToClient(wx.GetMousePosition())
#pos=event.GetPosition()
self.mousectrl.MouseLeftDown(pos)
event.Skip()
def OnMouseLeftUp(self,event):
if not self.model.Ready(): return
if self.draw.Busy(): return
###self.timer.Stop()
self.mousectrl.MouseLeftUp()
event.Skip()
def OnMouseRightDown(self,event):
if self.model.mol is None: return
if not self.model.Ready(): return
if self.draw.Busy(): return
#
label='mdlpopupmenu'
menulst,tiplst=self.menuctrl.PopupMenu()
if len(menulst) <= 0: return
retmethod=self.menuctrl.OnPopupMenu
self.popupmenu=subwin.ListBoxMenu_Frm(self,-1,[],[],retmethod,menulst,tiplst)
# #menulabel=label) #,winwidth=180) #,winwidth=200)
self.popupmenu.Show()
self.popupmenu.SetFocus()
"""
pos=self.GetPosition()
winpos=[pos[0]+10,pos[1]+20]
self.popup=subwin.PopupWindow_Frm(self,-1,self.model,winpos,'',menulst,tiplst)
self.popup.Show()
"""
###14Jan### self.popupmenu.SetFocus()
event.Skip()
def OnMouseRightUp(self, event):
if not self.model.Ready(): return
if self.draw.Busy(): return
###self.timer.Stop()
pos=event.GetPosition()
self.mousectrl.MouseRightUp(pos)
event.Skip()
def OnMouseWheel(self, event):
if not self.model.Ready(): return
if self.draw.Busy(): return
###self.timer.Stop()
rot=event.GetWheelRotation()
self.mousectrl.MouseWheel(rot)
event.Skip()
def OnEnterWindow(self,event):
self.draw.canvas.SetFocus()
def OnLeaveWindow(self,event):
return
self.ReleaseMouse()
def OnFocus(self,event):
#lib.ChangeCursor(self,0)
event.Skip()
def OnCloseFromFUTools(self):
# close all subwindows
for w in wx.GetTopLevelWindows(): w.Close()
self.model.ExitModel()
def OnClose(self,event):
# close all subwindows and exit()
self.model.WriteIniFile()
for w in wx.GetTopLevelWindows(): w.Close()
self.model.ExitModel()
"""
if self.model.fumode != 3:
# close all subwindows
for w in wx.GetTopLevelWindows(): w.Close()
self.model.ExitModel()
elif self.model.fumode == 3:
for w in wx.GetTopLevelWindows():
if w != self.winctrl.GetWin('Open PySHell'): w.Hide()
self.Hide()
else:
for w in wx.GetTopLevelWindows(): w.Close()
self.Destroy()
"""
class Remark_Frm(wx.Frame):
def __init__(self,parent,id,winpos,winsize,bgcolor=[]):
wx.Frame.__init__(self,parent,id,pos=winpos,size=winsize,
style=wx.FRAME_FLOAT_ON_PARENT) #|wx.NO_BORDER) #,
# style=wx.SYSTEM_MENU|wx.CAPTION|wx.CLOSE_BOX) #|wx.FRAME_FLOAT_ON_PARENT)
#size=self.GetClientSize()
#self.canvas=parent.canvas
###self.remarkwin=parent.remarkwin
self.mdlwin=parent
self.bgcolor=bgcolor
if len(bgcolor) <= 0:
self.bgcolor=self.mdlwin.model.setctrl.GetParam('win-color')
#self.bgcolor=parent.bgcolor
self.SetBackgroundColour(self.bgcolor)
#self.panel=wx.Panel(self,-1,pos=(0,0),size=winsize)
#self.panel.SetBackgroundColour(self.bgcolor)
self.wremarkpan=parent.wremarkpan
self.hremarkpan=parent.hremarkpan
#
self.remarkwin=None
self.remarkbuffer=None
self.remarkpanel=None
self.remarkdata=[]
self.textfont=None
self.textcol=[]
self.rankposi=0
self.ranknega=0
self.yrange=0
self.extposivalue=0
self.extnegavalue=0
self.xloc=0; self.yloc=0; self.rem=[]
#self.wcolorbox=self.fuprog.wcolorbox; self.hcolorbox=self.fuprog.hcolorbox
self.wcolorbox=0
self.hcolorbox=0
self.width=80; self.hight=200 # remark panel size
self.wcolorbox=0; self.hcolorbox=0
def SetRemarkData(self,remarkdata):
# for fuplot remark panel
self.rem=remarkdata[0]
self.xloc=remarkdata[1]
self.yloc=remarkdata[2]
self.width=remarkdata[3]
self.hight=remarkdata[4]
self.textfont=remarkdata[5]
self.textcol=remarkdata[6]
#self.bgcolordummy=remarkdata[7]
self.wcolorbox=remarkdata[8]
self.hcolorbox=remarkdata[9]
self.rankposi=remarkdata[10]
self.ranknega=remarkdata[11]
self.yrange=remarkdata[12]
self.extposivalue=remarkdata[13]
self.extnegavalue=remarkdata[14]
self.rankcolorposi=remarkdata[15]
self.rankcolornega=remarkdata[16]
self.extcolorposi=remarkdata[17]
self.extcolornega=remarkdata[18]
#
self.remarkdata=remarkdata
def GetRemarkData(self):
return self.remarkdata
def DrawColorRemark(self):
# for fuplot
#canvsize=self.mdlwin.canvas.GetSize()
canvsize=self.mdlwin.GetSize()
wpan=canvsize[0]; hpan=canvsize[1]
#
xpos=wpan-82; ypos=40
#
self.remarkbuffer=wx.EmptyBitmap(self.width,self.hight) #(wpan,hpan)
#dc=wx.BufferedDC(wx.ClientDC(self.remarkpanel),self.remarkbuffer) #(self.remarkpanel,self.remarkbuffer)
dc=wx.BufferedDC(wx.ClientDC(self),self.remarkbuffer) #(self.remarkpanel,self.remarkbuffer)
dc.Clear()
# plot: True: on FMO plot panel, False: on Main Window
wbox=self.wcolorbox; hbox=self.hcolorbox
dc.SetFont(self.textfont)
dc.SetTextForeground(self.textcol)
#
rankposi=self.rankposi
ranknega=self.ranknega
maxrankval=self.yrange
minrankval=-self.yrange
# scaled out negative and positive energy
extposival=self.extposivalue
extnegaval=self.extnegavalue
# make white rectangle for color scale
rgb=self.bgcolor
#rgb=const.RGBColor['black']
dc.SetPen(wx.Pen(rgb)) #"white"))
dc.SetBrush(wx.Brush(rgb,wx.SOLID))
#hplt=self.hplt-self.htitle
x0=self.xloc; y0=self.yloc
dc.DrawRectangle(x0,y0,self.width,self.hight)
# draw remark
if len(self.rem) > 0:
dc.DrawText(self.rem,x0,y0)
y0 += 20
# positive value
x=x0+5; y=y0
if extposival > 0.00001:
dc.SetPen(wx.Pen(self.extcolorposi))
dc.SetBrush(wx.Brush(self.extcolorposi))
dc.DrawRectangle(x,y,wbox,hbox)
xtxt=x+20; ytxt=y-6
if self.yrange > 1.0:
txt=extposival; txt='% 4.1f' % txt
else:
txt=extposival; txt='% 4.2f' % txt
xtxt += (6-len(txt))*6
dc.DrawText(txt,xtxt,y-4)
y=y+hbox+4
yy=y
if maxrankval > 0.0:
delposi=self.yrange/3.0
yy=yy+hbox*(rankposi-1)
for i in range(rankposi):
col=self.rankcolorposi[i]
dc.SetPen(wx.Pen(col))
dc.SetBrush(wx.Brush(col))
dc.DrawRectangle(x,yy,wbox,hbox)
if i == 0 or i == 3 or i == 6 or i == rankposi-1:
xtxt=x+20; ytxt=yy-4
if i == 0: txt=0.0
else: txt=delposi*(float(i)/3.0)
if self.yrange > 1.0:
txt='% 4.1f' % txt
else:
txt='% 4.2f' % txt
xtxt += (6-len(txt))*6
dc.DrawText(txt,xtxt,yy-4)
yy -= hbox
y += hbox
# negative value
if minrankval < 0.0:
delnega=-self.yrange/3.0
for i in range(1,ranknega): # skip zero
col=self.rankcolornega[i]
dc.SetPen(wx.Pen(col))
dc.SetBrush(wx.Brush(col))
dc.DrawRectangle(x,y,wbox,hbox)
if i == 3 or i == 6 or i == ranknega-1:
xtxt=x+20; ytxt=y+4
txt=delnega*(float(i)/3.0)
if self.yrange > 1.0:
txt='%5.1f' % txt
else:
txt='%5.2f' % txt
xtxt += (6-len(txt))*6
dc.DrawText(txt,xtxt,ytxt-4)
y += hbox
if extnegaval < -0.00001:
dc.SetPen(wx.Pen(self.extcolornega))
dc.SetBrush(wx.Brush(self.extcolornega))
y += 4
dc.DrawRectangle(x,y,wbox,hbox)
xtxt=x+20; ytxt=y+4
txt=extnegaval
if self.yrange > 1.0:
txt='% 5.1f' % txt
else:
txt='% 5.2f' % txt
xtxt += (6-len(txt))*6
dc.DrawText(txt,xtxt,ytxt-4)
self.Refresh()
self.Update()
def ChangeBackgroundColor(self,rgba):
rgb=rgba[:3]
for i in range(len(rgb)): rgb[i] *= 255.0
self.bgcolor=rgb
self.SetBackgroundColour(rgb)
self.Refresh()
# mol choice win manager
class MolChoice(object):
def __init__(self,parent):
self.mdlwin=parent
self.model=parent.model
self.molctrl=parent.model.molctrl
#
self.win=None
self.open=False
self.muspos=[0,0]
self.position=[0,46] #40] #46]
self.winpos=[0,0]
#self.winsize=lib.WinSize([150,90]) # [130,50]
self.winsize0=lib.WinSize([150,90])
self.winsize1=lib.WinSize([150,115])
self.shape=0
self.wbox=120
self.molnamlst=[]
self.selectmol=''
def CreateWin(self):
if self.open:
self.win.SetFocus()
return
else:
winpos=[] #self.GetPosition()
if self.shape == 0: winsize=self.winsize0
elif self.shape == 1: winsize=self.winsize1
self.win=MolChoice_Frm(self.mdlwin,-1,winpos,winsize,self,
self.shape)
self.win.Show()
self.molnamlst=[]
self.molnamlst=self.molctrl.GetMolNameList()
if len(self.molnamlst) > 0:
self.selectmol=self.molctrl.GetCurrentMolName()
self.win.cboxmol.SetItems(self.molnamlst)
self.win.cboxmol.SetStringSelection(self.selectmol)
self.open=True
#xxself.model.menuctrl.Check('Open MolChoiceWin',True)
self.model.menuctrl.CheckMenu('Open MolChoiceWin',True)
#self.model.winctrl.SetOpened('Open MolChoiceWin',self.win)
def DestroyWin(self):
try: self.win.Destroy()
except: pass
self.open=False
#xxself.model.menuctrl.Check('Open MolChoiceWin',False)
self.model.menuctrl.CheckMenu('Open MolChoiceWin',False)
#self.model.winctrl.CloseWin('Open MolChoiceWin')
def GetPosition(self):
[x,y]=self.mdlwin.GetScreenPosition()
[w,h]=self.mdlwin.GetSize() #GetClientSize()
xpos=w-237 #232
if self.shape != 0: xpos=w-132
winpos=[x+xpos+self.position[0],y+self.position[1]]
#winpos=[x+xpos+self.position[0],y] # for put on window title
return winpos
def Resize(self,dx,dy):
self.winsize=self.win.GetSize()
pos=self.win.GetPosition()
self.DestroyWin()
self.CreateWin()
if self.shape == 1:
pos[0] += dx; pos[1] += dy
self.win.SetPosition(pos)
def SetPosition(self,winpos):
self.winpos=winpos
def SetOpen(self,on):
if on: self.open=True
else: self.open=False
def IsOpen(self):
return self.open
def GetShape(self):
return self.shape
def SetShape(self,shape):
self.shape=shape
def ChangeShape(self,shape):
self.shape=shape
self.winsize=lib.WinSize([150,90]) #[130,70]
#if lib.GetPlatform() == 'WINDOWS': self.winsize=[150,90]
winpos=self.GetPosition()
self.ChangePosition(winpos)