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custom.py
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custom.py
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#!/bin/sh
# -*- coding: utf-8 -*-
import os
import shutil
try: import psutil # downloaded from http://code.google.com/p/psutil/downloads/detail?name=psutil-1.0.1.win32-py2.7.exe&can=2&q=
except: pass
import getpass
import wxversion
wxversion.select("2.8")
import wx
import wx.py
import numpy
import copy
import datetime
import time
import molec
#import model
import draw
import const
import lib
import ctrl
class Customize_Frm(wx.Frame):
""" Custamize class
:param obj parent: parent object
:param int id: object id (typically -1 or wx.AnyId)
:param obj model: instance of Model class
:param lst winpos: [posx(int),posy(int)]
:param str winlabel: window label
"""
def __init__(self,parent,id,model,winpos,winlabel):
self.title='Custom Setting Panel'
#winsize=(410,400)
winsize=lib.WinSize((410,400)) # 410,400
wx.Frame.__init__(self,parent,id,self.title,pos=winpos,size=winsize,
style=wx.SYSTEM_MENU|wx.CAPTION|wx.CLOSE_BOX) #|wx.FRAME_FLOAT_ON_PARENT)
self.mdlwin=parent
#xxself.ctrlflag=model.ctrlflag
self.model=model
self.winctrl=model.winctrl
self.setctrl=model.setctrl
self.winlabel=winlabel
#self.platform=self.setctrl.GetParam('platform')
self.SetBackgroundColour('light gray')
#
classnam='Customize_Frm'
self.pagenamlst=['Setting','General','Model','Add-on','Shortcut','Project'] #,'Mouse','Misc']
self.parampagedic={'Setting':0,'General':1,'Model':2,'Add-on':3,'Shortcut':4,'Project':5}
self.pages=[self.Page0,self.Page1,self.Page2,self.Page3,self.Page4,self.Page5]
self.pageinslst=len(self.pagenamlst)*[None]
self.fileext=['.py','.general','.model','.add-on','.shortcut'] #,'.project']
#
self.customdir=self.setctrl.GetDir('Customize')
self.prjdir=self.setctrl.GetDir('Projects')
#
self.curparamsetdic=self.MakeCurParamSetDic()
self.paramsetfiledic=self.MakeParamSetFileDic()
# statusbar
self.statusbar=self.CreateStatusBar()
#
self.notebook=wx.Notebook(self,wx.ID_ANY)
self.pagepanels=[]
self.curpage=0
#
self.gonewpage=True
self.prvpage=0
#
self.CreatePagePanels()
self.StatusMessage('Make parameter set file and set them in "Setting" file')
#self.Bind(wx.EVT_MENU,self.OnMenu)
#self.Bind(wx.EVT_KEY_DOWN,self.OnKeyDown)
self.Bind(wx.EVT_CLOSE,self.OnClose)
self.Bind(wx.EVT_NOTEBOOK_PAGE_CHANGED,self.OnPageChanged)
self.Bind(wx.EVT_NOTEBOOK_PAGE_CHANGING,self.OnPageChanging)
self.Show()
def CreatePagePanels(self):
npage=len(self.pagenamlst); pagecolor='light gray' #; pagecolors=npage*['light gray']
# set panels
for i in range(npage):
self.pagepanels.append(wx.Panel(self.notebook,wx.ID_ANY))
self.pagepanels[i].SetBackgroundColour(pagecolor) #s[i])
self.notebook.InsertPage(i,self.pagepanels[i],self.pagenamlst[i])
# page method
for i in range(npage): self.pages[i]()
def Page0(self): # Setting
self.pageinslst[0]=CustomSetting(self,self.pagepanels[0],self.model)
def Page1(self): # General
self.pageinslst[1]=CustomGeneral(self,self.pagepanels[1],self.model)
def Page2(self): # Model
self.pageinslst[2]=CustomModel(self,self.pagepanels[2],self.model)
def Page3(self): # Add-on
self.pageinslst[3]=CustomAddOns(self,self.pagepanels[3],self.model)
def Page4(self): # Shortcut
self.pageinslst[4]=CustomShortcut(self,self.pagepanels[4],self.model)
def Page5(self): # Project
self.pageinslst[5]=CustomProject(self,self.pagepanels[5],self.model,'Setting')
def StatusMessage(self,mess):
self.SetStatusText(mess)
def Message(self,mess):
self.SetStatusText(mess)
def OnPageChanged(self,event):
messlst=['Make/modify/delete "Setting" script','Make/modify/delete general parameters',
'Make/modify/delete model parameters','Make/modify/delete "Add-on" menus',
'Define/modify/delete shortcut-key','Make/modify/delete projects']
if not self.gonewpage: newpage=self.notebook.ChangeSelection(self.prvpage)
else:
self.curpage=self.notebook.GetSelection()
self.StatusMessage(messlst[self.curpage])
self.pageinslst[self.curpage].Initialize()
#event.Skip() # may need to work properly ?
def OnPageChanging(self,event):
self.prvpage=self.curpage
self.gonewpage=True
if not self.pageinslst[self.prvpage].IsSaved():
try:
prvpage=self.pagenamlst[self.prvpage]
mess='"'+prvpage+'" is not saved. Are you sure to move?'
except: mess='previou page is not saved. Are you sure to move?'
dlg=lib.MessageBoxYesNo(mess,"")
if not dlg: self.gonewpage=False
def MenuBar(self):
filemenu=wx.Menu()
submenu=wx.Menu()
filemenu.Append(-1,"Load setting file","Load file")
filemenu.AppendSeparator()
filemenu.Append(-1,"Save","Save current settings")
filemenu.Append(-1,"Save As","Save current settings")
filemenu.AppendSeparator()
filemenu.Append(-1,"Close","SClose the window")
#filemenu.AppendSubMenu(submenu,"File","Load/Save setting file")
editmenu=wx.Menu()
editmenu.Append(-1,"Edit setting file","Edit/View setting file")
#menu.AppendSubMenu(submenu,"edit","Edit setting file")
menubar=wx.MenuBar()
menubar.Append(filemenu,"File")
menubar.Append(editmenu,"Edit")
return menubar
def OnMenu(self,event):
menuid=event.GetId()
label=self.menubar.GetLabel(menuid)
if label == "Load setting file":
print 'Load setting file'
elif label == "Save":
print 'Save'
elif label == "Save As":
print 'Save As'
elif label == "Close":
self.OnClose(1)
elif label == "Edit setting file":
print "Edit/View settting file"
def OnClose(self,event):
try: self.winctrl.Close(self.winlabel)
except: pass
self.Destroy()
def OnKeyDown(self,event):
if self.keyset.IsEnabled(): self.keyset.OnKeyDown(event)
def MakeCurParamSetDic(self):
curparamsetdic={}
cursetfile=self.setctrl.GetSetFile()
curset=os.path.split(cursetfile)[1]
curprj=os.path.split(self.setctrl.GetCurPrj())[1]
curparamsetdic["Setting"]=curset.split('.')[0]
curparamsetdic["Project"]=curprj.split('.')[0]
cursetfile=os.path.expanduser(cursetfile)
curfilelst=Customize_Frm.ReadSetFile(cursetfile)
for i in range(len(curfilelst)):
curparamsetdic[self.pagenamlst[i+1]]=curfilelst[i].split('.')[0]
return curparamsetdic
def ChangeCurFile(self,prmnam,curfile):
self.curfiledic[prmnam]=curfile
idx=self.panellabels(prmnam)
self.pagefunc[idx].SetCurFileInComboBox(prmnam)
def MakeParamSetFileDic(self):
""" not completed """
""" self.pagenamlst=['Setting','General','Model','Add-on','Shortcut','Project'] """
paramsetfiledic={}
for i in range(len(self.pagenamlst)-1):
filelst=lib.GetFilesInDirectory(self.customdir,[self.fileext[i]])
paramsetfiledic[self.pagenamlst[i]]=self.MakeParamSetName(filelst)
# project files
filelst=lib.GetFilesInDirectory(self.prjdir,[self.fileext[i]])
paramsetfiledic['Project']=self.MakeParamSetName(filelst)
return paramsetfiledic
def ResetSettingFile(self,setnam,curparamsetdic):
self.curparamsetdic=curparamsetdic
# setting panel instance
self.pageinslst[0].curparamsetdic=self.curparamsetdic
# reset current param set
if setnam == 'all' or setnam == 'General':
self.pageinslst[1].ResetCurrentSet(self.curparamsetdic['General'])
if setnam == 'all' or setnam == 'Model':
self.pageinslst[2].ResetCurrentSet(self.curparamsetdic['Model'])
if setnam == 'all' or setnam == 'Add-on':
self.pageinslst[3].ResetCurrentSet(self.curparamsetdic['Add-on'])
if setnam == 'all' or setnam == 'Shortcut':
self.pageinslst[4].ResetCurrentSet(self.curparamsetdic['Shortcut'])
# project panel instance ???
self.pageinslst[5].SetCurSetFileInComboBox(self.curparamsetdic['Setting'])
def GetParamSetFilelst(self,prmset,fileext):
# prmset: Projects,...
# fileext: '.project'
filelst=[]
prmdir=self.setctrl.GetDir(prmset)
filelst=lib.GetFilesInDirectory(prmdir,[fileext])
self.filelst=self.MakeParamSetName(filelst)
return filelst
def MakeParamSetName(self,filelst):
for i in range(len(filelst)):
head,tail=os.path.split(filelst[i])
base,ext=os.path.splitext(tail)
filelst[i]=base
return filelst
def ConvertParamsForCustomize(self,paramsdic,paramtypedic):
modeldic={0:'line',1:'stick',2:'ball-and-stick',3:'CPK'}
for prmnam,value in paramsdic.iteritems():
if paramtypedic[prmnam] == 'dic-color':
paramsdic[prmnam]=self.ConvertColor4To3InDic(paramsdic[prmnam])
if paramtypedic[prmnam] == 'color':
value=numpy.array(value); value=255*value; value=value[:3]
paramsdic[prmnam]=value
if prmnam == 'mol-model' and modeldic.has_key(paramsdic[prmnam]):
paramsdic[prmnam]=modeldic[paramsdic[prmnam]]
return paramsdic
def ConvertColor4To3InDic(self,colordic):
for item,color in colordic.iteritems():
color=numpy.array(color); color=255*color; color=color[:3]
colordic[item]=color
return colordic
def GetCurrentParamSet(self,setnam):
if self.curparamsetdic.has_key(setnam): return self.curparamsetdic[setnam]
else: return None
def SetCurrentParamSet(self,setnam,curset):
self.curparamsetdic[setnam]=curset
self.pageinslst[0].ResetCurrentParamFile(setnam,curset)
def GetCurrentParamSetDic(self):
return self.curparamsetdic
def SetCurrentParamSetDic(self,paramsetdic):
self.curparamsetdic=paramsetdic
def AddExtToFilename(self,filename,filext):
ns=filename.find(filext)
if ns < 0: filename=filename+filext
return filename
def MakeFullPathName(self,filename,filext): #,panelnam):
ns=filename.find(filext)
if ns < 0: filename=filename+filext
filename=os.path.join(self.customdir,filename)
return filename
def IsFileExists(self,filename):
if os.path.exists(filename): return True
else:
mess='"'+filename+'" does not exist.'
self.StatusMessage(mess)
return False
def GetSelectedFileNameInCombo(self,comboboxobj):
filename=comboboxobj.GetValue()
#if len(filename) <= 0:
# mess='Input file name in the left window.'
# lib..MessageBoxOK(mess,"")
return filename
def MakeParamTypeDic(self,paramdata):
paramtypedic={}
for prmnam,data in paramdata.iteritems():
paramtypedic[prmnam]=data[3]
return paramtypedic
def MakeParamWidgetDic(self,paramobjdic):
paramwidgetdic={}
for prmnam,lst in paramobjdic.iteritems():
paramwidgetdic[prmnam]=[lst[0],lst[1],lst[2]]
return paramwidgetdic
def GetButtonColors(self,buttonobjdic):
""" Get button color in RGB form
:param dic buttonobjdic: {'varibale name:buttonobject,...}
:return dic colordic: {'variable naem:color,...}
"""
colordic={}
for varnam,obj in buttonobjdic.iteritems():
wxcolor=obj[0].GetBackgroundColour()
colordic[varnam]=wxcolor.Get()
return colordic
def XXGetButtonColorRGB(self,buttonobj):
""" Get button color and convert it to RGB(0-1)
:param obj buttonobj: button object
:return: color: [R,G,B] (R,G,B range 0-1)
:rtype: lst
"""
wxcolor=buttonobj.GetBackgroundColour() # wx.Colour object
color=numpy.array(wxcolor.Get())/255.0 # convert to RGB [0-255]/255
return color
def SetColorOnButtons(self,colorobjdic,colordic): #,objlabel,varnamlst,colordic):
"""
panel: self.atmpan,self.respan, self.chapan
objlabel: 'element', 'residue','chain'
varnamlst elmcolordic.keys(), ex. varnam=' H' for elmcolorlst
coloddic elmcolordic
evthandler self.OnButtonColor
colorobjdic[objlabel]=[varnam,btncol]
"""
for item, color in colordic.iteritems(): colorobjdic[item][0].SetBackgroundColour(color)
def ViewSelectedFile(self,cmbfil,filext):
filename=cmbfil.GetStringSelection()
if len(filename) <= 0: return
filename=self.MakeFullPathName(filename,filext)
ans=self.IsFileExists(filename)
if not ans: return
lib.Editor(filename) #1(self.platform,filename)
def ViewFile(self,filename,filext):
ans=self.IsFileExists(filename)
if not ans: return
lib.Editor(filename) #1(self.platform,filename)
def DelSelectedFile(self,cmbfil,filext):
filename=cmbfil.GetStringSelection()
if len(filename) <= 0: return
filename=self.MakeFullPathName(filename,filext)
ans=self.IsFileExists(filename)
if not ans: return
os.remove(filename)
@staticmethod
def WriteProjectFile(filename,prjnam,prjitems):
#prjitems=[prjpath,curdir,setting,createdby,createddate,comment]
#prjdir=self.GetDir(self.panelnam)
#prjfile=prjdat[0]+'.txt'
#filename=os.path.join(prjdir,prjfile)
f=open(filename,'w')
f.write('# project file. '+lib.CreatedByText()+'\n')
f.write('prjnam='+prjnam+'\n')
f.write('prjpath='+prjitems[1]+'\n')
f.write('curdir='+prjitems[2]+'\n')
f.write('setting='+prjitems[3]+'\n')
f.write('createdby='+prjitems[4]+'\n')
f.write('createddate='+prjitems[5]+'\n')
f.write('comment='+prjitems[6]+'\n')
f.close()
@staticmethod
def CreateProjectDirectory(prjnam,prjdirnam):
""" create project file 'fudir/Projects/prjnam.project' and project diretory ('prjrootdir/prjnam')
and its subsirectories (/Images, /Draws and /Docs)
:param str prjnam: project name
:param str prjrootdir: root directory of the project. the project directory is
prjrootdir/prjnam
:return: retcode: True for succeeded, False for Failed
:rtype: bool
"""
retmess=''
prjsubdirs=['Docs','Images','Draws']
# make project directory
if not os.path.isdir(prjdirnam):
try: os.mkdir(prjdirnam)
except:
retmess='Failed to create project dirctory "'+prjdirnam+'"'
# make sub-directories
if os.path.isdir(prjdirnam):
try:
for d in prjsubdirs:
ddir=os.path.join(prjdirnam,d)
if not os.path.isdir(ddir): os.mkdir(ddir)
except:
retmess='Failed to create project sub-directories in "'+prjdirnam+'"'
return retmess
@staticmethod
def WriteParamSetFile(filename,text,paramtypedic,paramsdic):
modeldic={'line':0,'stick':1,'ball-and-stick':2,'CPK':3}
rgb=255.0 # r,g,b in Customize range 0-255
paramlabel=paramtypedic.keys()
f=open(filename,"w")
f.write('# fu '+text+' '+lib.CreatedByText()+'\n')
for prmnam in paramlabel:
if not paramsdic.has_key(prmnam): continue
f.write("'"+prmnam+"'"+'\n')
if paramtypedic[prmnam] == 'dic-color':
colordic=paramsdic[prmnam]
for name, color in colordic.iteritems():
if not isinstance(name,str): name=str(name)
if prmnam == 'element-color':
if len(name) <= 1: name=name.rjust(2,' ')
f.write(name+' '+str(color[0]/rgb)+' '+str(color[1]/rgb)+' '+str(color[2]/rgb)+' 1.0\n')
elif paramtypedic[prmnam] == 'color':
color=paramsdic[prmnam]
f.write(str(color[0]/rgb)+' '+str(color[1]/rgb)+' '+str(color[2]/rgb)+' 1.0\n')
elif paramtypedic[prmnam] == 'int':
f.write(str(paramsdic[prmnam])+'\n')
elif paramtypedic[prmnam] == 'float':
f.write(str(paramsdic[prmnam])+'\n')
elif paramtypedic[prmnam] == 'bool':
f.write(str(paramsdic[prmnam])+'\n')
elif paramtypedic[prmnam] == 'model':
if paramsdic[prmnam] == '': f.write('0\n')
else: f.write(str(modeldic[paramsdic[prmnam]])+'\n')
else: pass
f.close()
@staticmethod
def ReadSetFile(filename):
general=''; model=''; addon=''; shortcut=''
if not os.path.exists(filename):
return [general,model,addon,shortcut]
f=open(filename,'r')
for s in f.readlines():
s=s.strip()
if s[1:] == '#': continue
if len(s) <= 0: continue
items=s.split('(')
if items[0] == 'fum.setctrl.LoadGeneralParamSet':
general=items[1][:-1]; general=general[1:-1]
if items[0] == 'fum.setctrl.LoadModelParamSet':
model=items[1][:-1]; model=model[1:-1]
if items[0] == 'fum.setctrl.LoadAddonMenuItems':
addon=items[1][:-1]; addon=addon[1:-1]
if items[0] == 'fum.setctrl.LoadShortcut':
shortcut=items[1][:-1]; shortcut=shortcut[1:-1]
f.close()
return [general,model,addon,shortcut]
@staticmethod
def XXReadParamSetFile(filename,paramtypedic):
modeldic={'0':'line','1':'stick','2':'ball-and-stick','3':'CPK'}
booldic={'True':1,'False':0}
if not os.path.exists(filename): return
paramdic={}; colordic={}; prmnam=''
f=open(filename,"r")
for s in f.readlines():
s=s.strip()
if len(s) <= 0: continue
if s[:1] == '#': continue
ns=s.find('#')
if ns > 0:
s=s[:ns]; s=s.strip()
if s[:1] == "'" or s[:1] == '"':
if len(colordic) > 0: paramdic[prmnam]=colordic
s=s[1:]; prmnam=s[:-1]
colordic={}
continue
else:
if paramtypedic[prmnam] == 'dic-color':
items=s.split()
name=items[0].strip()
if prmnam == 'element-color':
if len(name) <= 1: name=name.rjust(2,' ')
if prmnam == 'aa-chain-color':
name=int(name)
else:
if not isinstance(name,str): name=str(name)
r=float(items[1]); g=float(items[2]); b=float(items[3])
colordic[name]=[r,g,b]
elif paramtypedic[prmnam] == 'color':
items=s.split()
r=float(items[0]); g=float(items[1]); b=float(items[2])
paramdic[prmnam]=[r*255,g*255,b*255]
elif paramtypedic[prmnam] == 'int':
paramdic[prmnam]=s.strip()
elif paramtypedic[prmnam] == 'float':
paramdic[prmnam]=s.strip()
elif paramtypedic[prmnam] == 'bool':
paramdic[prmnam]=booldic[s.strip()]
elif paramtypedic[prmnam] == 'model':
model=modeldic[str(s.strip())]
paramdic[prmnam]=model #modeldic[s.strip()]
else: paramdic[prmnam]=s.strip() # 'str'
f.close()
return paramdic
class CustomSetting():
""" Setting setting panel called in 'Setting_Frm' class
:param obj parent: 'Setting_Frm'
:param obj pagepanel: parent notebook panel.
:param obj model: instance of 'Model' class
"""
def __init__(self,parent,pagepanel,model):
self.classnam='SettingModel'
self.panelnam='Setting'
self.parent=parent
self.pagepanel=pagepanel
self.model=model #parent.model #self.parent.model
self.winctrl=model.winctrl
self.setctrl=model.setctrl
self.menuctrl=model.menuctrl
self.pagepanel.SetBackgroundColour('light gray')
#
self.saved=True
self.saveas=False
self.rename=False
# itemlabels: ['General','Model','Add-on','Shortcut']
self.itemlabels=self.parent.pagenamlst
del self.itemlabels[0] # Setting
try: del self.itemlabels[4] # Project
except: pass
self.genfile=''
self.modelfile=''
self.addon1file=''
self.addon2file=''
self.fmoflag=False
self.curparamsetdic=self.parent.curparamsetdic
#
self.curset=self.parent.curparamsetdic[self.panelnam] #self.parent.curset
self.curprj='None'
self.paramsetfiledic=self.parent.paramsetfiledic
#
# create setting panel
self.CreatePanel()
# set data on widgets
self.OnProject(-1)
def CreatePanel(self):
size=self.parent.GetSize(); w=size[0]; h=size[1]
self.panel=self.pagepanel
self.viewiddic={}; self.comboboxlabeldic={}; self.statictextdic={} #self.browseiddic={}; self.tcliddic={}
hcb=const.HCBOX
yloc=10; xloc=0
# create file button
title='Setting file:'
sttip=wx.StaticText(self.panel,-1,title,pos=(10,yloc),size=(90,18))
sttip.SetToolTipString('Select setting name(file,*setting)')
self.cmbfil=wx.ComboBox(self.panel,wx.ID_ANY,"",pos=(100,yloc-2),size=(200,hcb))
self.cmbfil.Bind(wx.EVT_COMBOBOX,self.OnSetFile)
self.cmbfil.Bind(wx.EVT_TEXT_ENTER,self.OnNewFile)
self.cmbfil.SetItems(self.paramsetfiledic[self.panelnam])
#self.cmbfil.SetValue(self.curset)
self.cmbfil.SetStringSelection(self.curparamsetdic[self.panelnam])
#self.cmbfil.SetStringSelection(self.cursetfile)
btnview=wx.Button(self.panel,-1,"View",pos=(320,yloc-2),size=(40,20))
btnview.SetToolTipString('View or edit the file with editor')
btnview.Bind(wx.EVT_BUTTON,self.OnViewFile)
#
yloc += 25
wx.StaticLine(self.panel,pos=(-1,yloc),size=(w,4),style=wx.LI_HORIZONTAL)
yloc += 10
text="Param set in the loaded setting file: "+'"'+self.curparamsetdic[self.panelnam]+'"'
self.stseting=wx.StaticText(self.panel,-1,text,pos=(xloc+10,yloc),size=(w-20,18))
yloc += 25; # general
for label in self.itemlabels:
text=label+' params set file '+'"'+self.curparamsetdic[label]+'"'
stlabel=wx.StaticText(self.panel,-1,text,pos=(xloc+20,yloc),size=(w-120,18))
self.statictextdic[label]=stlabel
yloc += 20
wx.StaticText(self.panel,-1,'change to',pos=(xloc+80,yloc),size=(70,18))
#ID=wx.NewId()
cmb=wx.ComboBox(self.panel,-1,"",pos=(xloc+150,yloc-4),size=(180,hcb))
cmb.SetItems(['None']+self.paramsetfiledic[label])
cmb.SetStringSelection(self.curparamsetdic[label])
cmb.Bind(wx.EVT_COMBOBOX,self.OnParamFile)
self.comboboxlabeldic[label]=cmb
ID=wx.NewId()
btn=wx.Button(self.panel,ID,"View",pos=(xloc+345,yloc-4),size=(40,20))
btn.Bind(wx.EVT_BUTTON,self.OnViewParamSetFile)
self.viewiddic[ID]=[label,btn]
yloc += 20
# put buttons
pos=[-1,yloc]
self.butnpan=CommonActionButtons(self.parent,self.pagepanel,self,pos)
yloc += 40
wx.StaticLine(self.panel,pos=(-1,yloc),size=(w,4),style=wx.LI_HORIZONTAL)
yloc += 15
# setting button
btncur=wx.Button(self.panel,-1,"Apply as current setting",pos=(130,yloc-2),size=(150,20))
btncur.Bind(wx.EVT_BUTTON,self.OnSetCurrent)
yloc += 25
sttip=wx.StaticText(self.panel,-1,'to project: ',pos=(30,yloc),size=(60,18))
sttip.SetToolTipString('Select project for settings')
self.cmbprj=wx.ComboBox(self.panel,wx.ID_ANY,"",pos=(100,yloc-2),size=(200,hcb))
self.cmbprj.Bind(wx.EVT_COMBOBOX,self.OnProject)
self.cmbprj.SetItems(self.paramsetfiledic['Project'])
self.cmbprj.SetValue(self.curprj) #SetStringSelection(self.curparamsetdic['Project'])
btnviewprj=wx.Button(self.panel,-1,"View",pos=(320,yloc-2),size=(40,20))
btnviewprj.SetToolTipString('View or edit the file with editor')
btnviewprj.Bind(wx.EVT_BUTTON,self.OnViewProjectFile)
#self.butnpan.btndefa.Disable()
def Initialize(self):
self.filelst=self.parent.paramsetfiledic[self.panelnam]
#self.prjfilelst=self.parent.paramsetfiledic[self.panelnam]
#self.prjfilelst=['None']+self.prjfilelst
#prjdir=self.setctrl.GetDir('Projects')
#prjfilelst=lib.GetFilesInDirectory(prjdir,['.project'])
#self.prjfilelst=self.parent.MakeParamSetName(prjfilelst)
#self.prjfilelst=['None']+self.prjfilelst
self.prjfilelst=self.parent.GetParamSetFilelst('Projects','.project')
self.curset=self.parent.curparamsetdic[self.panelnam]
self.curprj='None' #self.curparamsetdic['Project'] #self.parent.curprj #os.path.split(self.curprjfile)[1]
self.cmbfil.SetItems(self.filelst)
self.cmbfil.SetValue(self.curset)
self.cmbprj.SetItems(self.prjfilelst)
self.cmbprj.SetValue(self.curprj)
#if self.curset == "":
# self.cmbfil.SetValue(self.curset)
# self.LoadDefault()
# mess='No paramter set file. Default param set is loaded.'
# wx.MessageBox(mess,"",style=wx.OK|wx.ICON_EXCLAMATION)
#else: self.cmbfil.SetStringSelection(self.curset)
#
self.OnSetFile(1)
#
self.saveas=False
self.saved=True
def OnSetCurrent(self,event):
# setfile name
setnam=self.cmbfil.GetValue()
setfile=setnam+'.py'
setfile=self.parent.MakeFullPathName(setfile,'.py')
if not os.path.exists(setfile): self.SaveFile()
# project name
prjnam=self.cmbprj.GetValue()
if len(prjnam) <= 0:
self.parent.Message('No project name in "to project" window.')
return
prjdir=self.setctrl.GetDir('Projects')
# rewrite "setting" file name in project file
filename=prjnam+'.project'
filename=os.path.join(prjdir,filename)
if not os.path.exists(filename):
self.parent.Message('project file "'+filename+'" does not exists.')
return
prjitems=self.setctrl.ReadProjectFile(filename)
#prjitems=[prjpath,curdir,setting,createdby,createddate,comment]
#prjitems[5]=setnam
#
Customize_Frm.WriteProjectFile(filename,prjnam,prjitems)
# rewrite fumodel.ini file
self.parent.Message('"'+prjnam+'" project is set as current in fumodel.ini file.')
self.saved=True
def OnSetFile(self,event):
# get setfile in combobox
setfile=self.cmbfil.GetValue()
self.curparamsetdic[self.panelnam]=setfile
setfile=setfile+'.py'
filename=os.path.join(self.parent.customdir,setfile)
setdat=self.parent.ReadSetFile(filename)
for i in range(len(self.itemlabels)): self.curparamsetdic[self.itemlabels[i]]=setdat[i]
#
for label,cmb in self.comboboxlabeldic.iteritems():
cmb.SetStringSelection(self.curparamsetdic[label])
# set labels
text="Param set in the loaded setting file: "+'"'+self.curparamsetdic[self.panelnam]+'"'
self.stseting.SetLabel(text)
for label, obj in self.statictextdic.iteritems():
text=label+' params set file '+'"'+self.curparamsetdic[label]+'"'
obj.SetLabel(text)
# reset curparamset in all pagepanels
if event != -1: self.parent.ResetSettingFile('all',self.curparamsetdic)
self.parent.Message('Saved "'+filename+'".')
self.saved=True
def OnParamFile(self,event):
#ID=event.GetId()
#cmb=self.comboboxiddic[ID][1]
#label=self.comboboxiddic[ID][0]
for prmnam, cmb in self.comboboxlabeldic.iteritems():
curset=cmb.GetStringSelection()
self.curparamsetdic[prmnam]=curset
self.parent.ResetSettingFile(prmnam,self.curparamsetdic)
def ResetCurrentParamFile(self,setnam,curset):
#comboboxlabeldic={}
#for id, labobj in self.comboboxiddic.iteritems():
# comboboxlabeldic[labobj[0]]=labobj[1]
return
if not self.comboboxlabeldic.has_key(setnam): return
self.comboboxlabeldic[setnam].SetStringSelection(curset)
def OnProject(self,event):
curprj=self.cmbprj.GetStringSelection()
filename=curprj+'.project'
filename=os.path.join(self.parent.prjdir,filename)
if not os.path.exists(filename): return
# prjdat:[prjdir,createdby,createddate,comment,curdir,setting]
prjdat=self.setctrl.ReadProjectFile(filename)
setfile=prjdat[6]
self.curparamsetdic['Setting']=setfile
self.cmbfil.SetStringSelection(setfile)
self.OnSetFile(event)
def OnNewFile(self,event):
self.parent.Message('')
if not self.saveas and not self.rename: return
setnam=self.cmbfil.GetValue() #GetStringSelection()
print 'setnam',setnam
if len(setnam) <= 0:
self.parent.Message('No file name in "Setting file" window')
return
try: idx=self.paramsetfiledic[self.panelnam].index(setnam) #self.filelst.index(setnam)
except: idx=-1
if idx >= 0:
mess='the name is duplicate. please input a different name'
lib.MessageBoxOK(mess,"")
return
#
if self.rename:
retcode=self.Rename(self.curset,setnam)
self.cmbfil.SetValue(self.curset)
if self.saveas:
self.SaveFile()
#
self.curset=setnam
self.filelst.append(self.curset)
self.cmbfil.SetItems(self.paramsetfiledic[self.panelnam])
self.cmbfil.SetStringSelection(self.curset)
#
self.parent.Message('Created new setting file '+'"'+setnam+'"')
# update 'Model' current and filelst
self.parent.SetCurrentParamSet(self.panelnam,self.curset)
#self.parent.paramsetfiledic[self.panelnam]=self.filelst
#
self.saveas=False
#
self.saveas=False
self.rename=False
def OnViewFile(self,event):
self.parent.ViewSelectedFile(self.cmbfil,'.py') #,self.panelnam)
def OnViewParamSetFile(self,event):
ID=event.GetId()
label=self.viewiddic[ID][0]; cmb=None
#for key, labobj in self.comboboxlabeldic.iteritems():
# if labobj[0] == label: cmb=labobj[1]; break
if self.comboboxlabeldic.has_key(label): cmb=self.comboboxlabeldic[label]
else: cmb=None
filext='.'+label.lower()
self.parent.ViewSelectedFile(cmb,filext)
def OnViewProjectFile(self,event):
filename=self.cmbprj.GetValue()
filename=filename+'.project'
filename=os.path.join(self.parent.prjdir,filename)
self.parent.ViewFile(filename,'.project')
def ClearAllTextInTCL(self):
for key, value in self.tcliddic.iteritems():
print 'label',value[0]
value[1].SetValue('')
def SetCurFileInComboBox(self,prmnam):
for key,lst in self.comboboxlabeldic.iteritems():
if key == prmnam: lst.SetValue(self.curfiledic[prmnam])
def Apply(self):
self.saved=True
pass
def IsSaved(self):
return self.saved
def Undo(self):
self.saved=True
def Cancel(self):
mess='Setting was canceled.'
self.parent.StatusMessage(mess)
self.saved=True
def GetParamsFromWidgets(self):
"""
:return lst paramset: paramset:[general param set name,model param set name,
'add-on menu items,'shortcut definition name]
"""
# itemlabels: ['General','Model','Add-on','Shortcut']
self.paramsdic={}
for label in self.itemlabels:
prmset=self.comboboxlabeldic[label].GetValue()
if len(prmset) > 0: self.paramsdic[label]=prmset
def Rename(self,oldnam,newnam):
customdir=self.setctrl.GetDir('Customize')
oldfile=os.path.join(customdir,oldnam+'.py')
newfile=oldfile.replace(oldnam,newnam)
if os.path.exists(newfile):
mess='the file "'+newfile+' " already exists. try a diferent name.'
self.parant.Message(mess)
return False
# remame project file name
try: os.rename(oldfile,newfile)
except:
mess='Failed rename "'+oldnam+'" to "'+newnam+'"'
return False
idx=self.filelst.index(oldnam)
if idx >= 0:
#self.filelst[idx]=newnam
self.paramsetfiledic[self.panelnam][idx]=newnam
else:
self.parent.Message('Error occured in renaming '+'"'+oldnam+'" to "'+newnam+'"')
return False
self.curset=newnam
# set items to widget
self.cmbfil.SetItems(self.paramsetfiledic[self.panelnam]) #self.filelst)
self.cmbfil.SetValue(self.curset)
# update 'Project' current and filelst
self.parent.SetCurrentParamSet(self.panelnam,self.curset)
#self.parent.paramsetfiledic[self.panelnam]=self.filelst
self.parent.Message('Renamed '+'"'+oldnam+'" to "'+newnam+'"')
return True
def RenameFile(self):
self.rename=True
mess='Input name in "Setting file" window and hit "Enter"'
lib.MessageBoxOK(mess,"")
self.cmbfil.SetValue('')
def SaveFile(self):
self.saveas=False
self.GetParamsFromWidgets()
if len(self.paramsdic) <= 0:
self.parent.Message('Nothing to write in setting file')
return
filename=self.cmbfil.GetValue()
if len(filename) <= 0:
self.parent.Message('No file name in "Setting file" window')
return
filename=self.parent.MakeFullPathName(filename,'.py')
print 'filename in save',filename
self.lblgen='fum.setctrl.LoadGeneralParamSet('
self.lblmdl='fum.setctrl.LoadModelParamSet('
self.lblsht='fum.setctrl.LoadShortcut('
self.lbladd='fum.setctrl.LoadAddonMenuItems('
textlst=[]
if os.path.exists(filename):
# read
f=open(filename,'r')
for s in f.readlines(): textlst.append(s)
f.close()
textlst=self.UpdateParamSetInSetting(textlst)
else:
for prmnam,prmfile in self.paramsdic.iteritems():
if prmnam == 'General':
textlst.append(self.lblgen+"'"+prmfile+"')\n")
elif prmnam == 'Model':
textlst.append(self.lblmdl+"'"+prmfile+"')\n")
elif prmnam == 'Shortcut':
textlst.append(self.lblsht+"'"+prmfile+"')\n")
elif prmnam == 'Add-on':
textlst.append(self.lbladd+"'"+prmfile+"')\n")
# write
f=open(filename,'w')
for s in textlst: f.write(s)
f.close()
def UpdateParamSetInSetting(self,textlst):
newtextlst=[]
ngen=len(self.lblgen); nmdl=len(self.lblmdl); nsht=len(self.lblsht); nadd=len(self.lbladd)
for text in textlst:
ns=text.find(self.lblgen)
if ns >= 0 and self.paramsdic.has_key('General'):
head=text[:ns+ngen]; ne=text.find(')'); tail=text[ne:]
text=head+"'"+self.paramsdic['General']+"'"+tail+'\n'
newtextlst.append(text); continue
ns=text.find(self.lblmdl)
if ns >= 0 and self.paramsdic.has_key('Model'):
head=text[:ns+nmdl]; ne=text.find(')'); tail=text[ne:]
text=head+"'"+self.paramsdic['Model']+"'"+tail+'\n'
newtextlst.append(text); continue
ns=text.find(self.lblsht)
if ns >= 0 and self.paramsdic.has_key('Shortcut'):
head=text[:ns+nsht]; ne=text.find(')'); tail=text[ne:]
text=head+"'"+self.paramsdic['Shortcut']+"'"+tail+'\n'
newtextlst.append(text); continue
ns=text.find(self.lbladd)
if ns >= 0 and self.paramsdic.has_key('Add-on'):
head=text[:ns+nadd]; ne=text.find(')'); tail=text[ne:]
text=head+"'"+self.paramsdic['Add-on']+"'"+tail+'\n'
newtextlst.append(text); continue
newtextlst.append(text)
return newtextlst
def LoadDefault(self):
for prmnam, cmb in self.comboboxlabeldic.iteritems(): cmb.SetValue('None')
def SaveFileAs(self):
self.saveas=True
mess='Input file name in "Setting file" window and hit "Enter"'
lib.MessageBoxOK(mess,"")
self.cmbfil.SetValue('')
def DelFile(self):
self.parent.DelSelectedFile(self.cmbfil,'.py')
setnam=self.cmbfil.GetValue()
self.filelst.remove(setnam)
self.cmbfil.SetItems(self.filelst)
if len(self.filelst) > 0: self.curset=self.filelst[0]
else: self.curset=''
self.cmbfil.SetStringSelection(self.curset)
self.parent.SetCurrentParamSet(self.panelnam,self.curset)
self.parent.paramsetfiledic[self.panelnam]=self.filelst
self.parent.Message('setting file "'+setnam+'" was deleted')
def Cancel(self):
mess='Setting was canceled.'
self.parent.StatusMessage(mess)
self.saved=True
class CustomModel():
""" Model setting panel called in 'Setting_Frm' class
:param obj parent: 'Setting_Frm'
:param obj pagepanel: parent notebook panel.
:param obj model: instance of 'Model' class
"""
def __init__(self,parent,pagepanel,model):
self.classnam='SettingModel'
self.panelnam='Model'
self.parent=parent
self.pagepanel=pagepanel
self.model=model #parent.model #self.parent.model
self.winctrl=model.winctrl
self.setctrl=model.setctrl
self.menuctrl=model.menuctrl
self.pagepanel.SetBackgroundColour('light gray')
#
self.saved=True
self.newfile=False
self.rename=False
self.itemcolordic={} # rgb:0-255
#
self.filelst=self.parent.paramsetfiledic[self.panelnam]
self.curset=self.parent.curparamsetdic[self.panelnam]
#
self.paramtypedic=self.setctrl.MakeParamTypeDic()
""" note: rewrite the program using paramtipsdic """
self.paramtipsdic=self.setctrl.MakeParamTipsDic()
# setup default parameters
self.defaultparamsdic=self.GetDefaultModelParams()
self.paramsdic=copy.deepcopy(self.defaultparamsdic)
# define values in panels
self.modellst=['line','stick','ball-and-stick','CPK']
self.model=self.paramsdic['mol-model']
self.bndthick=self.paramsdic['bond-thick']
self.atmsphererad=self.paramsdic['atom-sphere-radius']
self.hbcolor=self.paramsdic['hydrogen-bond-color']
self.hbthick=self.paramsdic['hydrogen-bond-thick']
self.tubecolor=self.paramsdic['aa-tube-color']
self.tuberad=self.paramsdic['aa-tube-radius']
#
self.elmcolordic=self.defaultparamsdic['element-color']
self.elmnamlst=self.elmcolordic.keys()
self.rescolordic=self.defaultparamsdic['aa-residue-color']
self.resnamlst=self.rescolordic.keys()
self.chaincolordic=self.defaultparamsdic['aa-chain-color']
self.chainnamlst=self.chaincolordic.keys()
# create panel
self.CreatePanel()
# make type and widget object dictionary
paramobj=self.ParamObjDefinition()
self.paramwidgetdic=self.parent.MakeParamWidgetDic(paramobj)