#!/usr/bin/env python # GRAPHICAL interface for setup of QMX calculations # # Torsten Kerber, ENS LYON: 2011, 07, 11 # # This work is supported by Award No. UK-C0017, made by King Abdullah # University of Science and Technology (KAUST) #--------------------------------------------------------------------------------------------------- from Tkinter import * from copy import deepcopy import tkFileDialog import StringIO, os #--------------------------------------------------------------------------------------------------- from qmxEMBED import embedDefinitions from qmxJOB import jobDefinitions from qmxSTR import strClusterDefinitions, strSystemDefinitions from qmxCALC import calcDefinitions, QmxCalcDefinition from qmxWRITE import writeData #--------------------------------------------------------------------------------------------------- #--------------------------------------------------------------------------------------------------- #--------------------------------------------------------------------------------------------------- class MyLabelFrame(LabelFrame): def __init__(self, mainWnd, master, title, name, def_list, fields): LabelFrame.__init__(self, master, text=title) self.mainWnd = mainWnd self.definitions=[] for definition in def_list: definition_new = deepcopy(definition) definition_new.system = name self.definitions.append(definition_new) if fields is None: fields = [''] self.entries=[] for key in fields: text=StringVar() text.set('') self.entries.append((key, text, Entry(self, textvariable=text, width=25))) def grid(self, **arguments): LabelFrame.grid(self, arguments, sticky=(N+W+E)) self.listbox.selection_set(first=0) self.select(None) def doLayout(self): irow=0 for (key, text, textfield) in self.entries: Label(self, text=key, width=15, anchor=W).grid(row=irow, column=2) textfield.grid(row=irow, column=3) textfield.bind("", self.update) irow+=1 scrollbar=Scrollbar(self, orient=VERTICAL) self.listbox=Listbox(self, yscrollcommand=scrollbar.set, height=5, width=15, selectmode=SINGLE, exportselection=0) self.listbox.grid(row=0, column=0, rowspan=irow, sticky=NS) self.listbox.bind('', self.select) scrollbar.config(command=self.listbox.yview) scrollbar.grid(row=0, column=1, rowspan=irow, sticky=NS) for item in self.definitions: self.listbox.insert(END, item.name) def select(self, event): selection=self.listbox.curselection() if len(selection) == 1: self.curr_definition=deepcopy(self.definitions[int(selection[0])]) for (key, text, textfield) in self.entries: text.set(self.curr_definition.getValue(key)) self.mainWnd.preview() def getSelection(self): return self.curr_definition def update(self, event): for (key, text, textfield) in self.entries: self.curr_definition.keywords[key]=text.get() self.mainWnd.preview() #--------------------------------------------------------------------------------------------------- class MainWindow(Frame): frames=[] text=None def __init__(self, master): Frame.__init__(self, master) fields=['import', 'class', 'class.options'] irow=0 for calcLabel, strLabel, strDefinitions in ( ("high-level", "cluster", strClusterDefinitions), ("low-level", "system", strSystemDefinitions)): #column icolLocal=0; #build outFrame outFrame = LabelFrame(self, text=calcLabel+" method - "+strLabel) outFrame.grid(row=irow, columnspan=3, sticky=W, pady=5) irow+=1 for title, def_list in ((calcLabel, calcDefinitions), (strLabel, strDefinitions)): # build frame myFrame=MyLabelFrame(self, outFrame, title, title, def_list, fields) myFrame.doLayout() myFrame.grid(row=0, column=icolLocal, padx=5, pady=5) # add frame for analyssis self.frames.append(myFrame) # move column icolLocal += 1 outFrame = LabelFrame(self, text="General") outFrame.grid(row=irow, columnspan=3, pady=5); irow+=1 for title, name, def_list, extra_list, irowLocal, icolLocal, irspan in ( ("Optimization Method", "job", jobDefinitions, fields + ['method', 'method.options'], 0, 0, 2), ("Embedding Method", "embed", embedDefinitions, fields + ['set_calculator'], 0, 1, 1), ("Hybrid Method", "hybrid", [QmxCalcDefinition()], fields, 1, 1, 1)): # build frame myFrame=MyLabelFrame(self, outFrame, title, name, def_list, extra_list) myFrame.doLayout() myFrame.grid(row=irowLocal, column=icolLocal, rowspan=irspan, padx=5, pady=5) # add frame for analyssis self.frames.append(myFrame) outFrame=LabelFrame(self, text="PREVIEW") scrollbar=Scrollbar(outFrame, orient=VERTICAL) scrollbar.set(0.0, 1.0) self.text=Text(outFrame, yscrollcommand=scrollbar.set, width=80, heigh=10, state=DISABLED) self.text.grid(sticky=(N+W+S+E)) scrollbar.config(command=self.text.yview) scrollbar.grid(row=0, column=1, sticky=NS) outFrame.grid(row=irow, column=0, sticky=W, pady=5); myFrame = Frame(self) buttonExit=Button(myFrame, text="Quit!", command=self.quit) buttonExit.grid(row=1, column = 1, rowspan=3, sticky= W+E+N+S) buttonSave=Button(myFrame, text='save settings', state=DISABLED) buttonSave.grid(row=1, column = 2, sticky=(EW)) buttonScript=Button(myFrame, text='Write SCRIPT file', command=self.writeScript) buttonScript.grid(row=2, column = 2, sticky=EW) buttonPython=Button(myFrame, text='Write PYTHON file', command=self.writePython) buttonPython.grid(row=3, column = 2, sticky=EW) myFrame.grid(row=irow, column=2, sticky=SE) #--- MainWindow --- self.grid(sticky=(W+N+S+E)) self.preview() def quit(self): quit() def writePython(self): fileName = tkFileDialog.asksaveasfile(mode='w') if fileName is None: return file = open(fileName,"w") definitions=[] for frame in self.frames: definition = frame.getSelection() if definition is not None: definitions.append(definition) writeData(file, definitions) file.close() os.system("chmod u+x qmx.py") def writeScript(self): fileName = tkFileDialog.asksaveasfile(mode='w') if fileName is None: return file = open(fileName,"w") for frame in self.frames: definition = frame.getSelection() if definition is None: continue system = definition.system.lower() data = system+".program : "+definition.name.lower()+"\n" file.write(data) for key in definition.keywords: data=system+"."+key+" : "+definition.getValue(key)+"\n" file.write(data) file.write("\n") file.close() def preview(self): stream = StringIO.StringIO() definitions=[] for frame in self.frames: definition = frame.getSelection() if definition is not None: definitions.append(definition) writeData(stream, definitions) s = stream.getvalue() if self.text is not None: pos, end = self.text.yview() self.text.config(state=NORMAL) self.text.delete(1.0, END) self.text.insert(END, s) self.text.config(state=DISABLED) self.text.yview(MOVETO, pos) #--------------------------------------------------------------------------------------------------- mainWnd=MainWindow(Tk()) mainWnd.mainloop()