def build(self):
""" build the widgets"""
entry_width = 10
# types strings
self._notype = '< select type >'
self.stringToType = {
'HB donor' : 'hbd',
'HB acceptor' : 'hba',
'HB any' : 'hb',
'Metal coord': 'metal',
'vdW contact': 'vdw',
'Pi-stacking': 'ppi', # XXX check this
'T-stacking' : 'tpi', # XXX check this
'Any stacking': 'pi', # XXX check this
}
self.typeToString = {}
for k,v in self.stringToType.items():
self.typeToString[v] = k
# active checkbutton
self.active_var = tk.BooleanVar(value=False)
self.active = tk.Checkbutton(self, variable=self.active_var,
bg=self.color, command=self.trigger)
#self.active.pack(side='left', anchor='w', expand=0, fill='none')
# interaction type
self.typeChoice = OptionMenuFix(self,
menubutton_font = self.FONT,
menubutton_bg = self.color,
menu_font = self.FONT,
menubutton_width = 15,
menubutton_bd = 1, menubutton_highlightbackground = 'black',
menubutton_borderwidth=1, menubutton_highlightcolor='black',
menubutton_highlightthickness = 1,
menubutton_height=1,
command = self.trigger, # self.typeValidator, # self.trigger,
items = sorted(self.stringToType.keys())
)
self.typeChoice.setvalue(self._notype)
self.typeChoice.pack(side='left', anchor='w', expand=1, fill='x', padx=3, pady=1)
self._widgets.append(self.typeChoice)
# strings
f = tk.Frame(self) # nested frames to have a decent alignment (Tk sucks(TM) )
ef = tk.Frame(f)
# chain
self.chain = Pmw.EntryField(ef, entry_font=self.FONT,
labelpos = 'n', label_font=self.FONT, label_text='chain',
hull_bg = self.color,
entry_width=4, entry_justify='center',
entry_bd = 1, entry_highlightbackground = 'black',
entry_borderwidth=1, entry_highlightcolor='black',
entry_highlightthickness = 1,
)
self.chain.pack(side='left', anchor='n', expand=0, fill='x', padx=3 )
self.chain.component('entry').bind('<Return>', self.return_cb)
self.chain.component('entry').bind('<Leave>', self.focusLeave_cb)
self._widgets.append(self.chain)
# residue
self.residue = Pmw.EntryField(ef, entry_font=self.FONT,
labelpos = 'n', label_font=self.FONT, label_text='residue',
hull_bg = self.color,
entry_width=entry_width, entry_justify='center',
entry_highlightbackground = 'black',
entry_borderwidth=1, entry_highlightcolor='black',
entry_highlightthickness = 1,
)
self.residue.pack(side='left', anchor='n', expand=1, fill='x', padx=3)
self.residue.component('entry').bind('<Return>', self.return_cb)
self.residue.component('entry').bind('<Leave>', self.focusLeave_cb)
self._widgets.append(self.residue)
# atom
self.atom = Pmw.EntryField(ef, entry_font=self.FONT,
labelpos = 'n', label_font=self.FONT, label_text='atom',
hull_bg = self.color,
entry_width=entry_width, entry_justify='center',
entry_highlightbackground = 'black',
entry_borderwidth=1, entry_highlightcolor='black',
entry_highlightthickness = 1,
)
self.atom.pack(side='left', anchor='n', expand=1, fill='x', padx=3)
self.atom.component('entry').bind('<Return>', self.return_cb)
self._widgets.append(self.atom)
s = tk.Frame(f, height=15)
s.pack(side='bottom', anchor='w', expand=1, fill='both')
ef.pack(side='top', anchor='w', expand=1, fill='x', padx=3)
f.pack(side='left', anchor='w', expand=1, fill='both')
self._widgets.append(s)
self._widgets.append(ef)
self._widgets.append(f)
# wanted/not wanted
self.wanted = True
self.wantedButton = tk.Button(self, font=self.FONTbold, image=self._ICON_filtoff, relief='flat')
selmenu = [ None,
['wanted', 'normal', self.setPositive],
['not wanted', 'normal', self.setNegative],
['disable', 'normal', self.setOff],
]
menu = rb.RacMenu(self.wantedButton, selmenu, placement='under')
self.wantedButton.pack(side='left', anchor='w', expand=0, fill='none', padx=1, pady=1)
self._widgets.append(self.wantedButton)
# destroy button
self.destruction = tk.Button(self, text="X", image=self._ICON_del, command=self.destroy,
bg=self.color,
relief='flat') #,width=22) #, **self.BORDER)
self.destruction.pack(side='left', anchor='w', expand=0, fill='none')
self._widgets.append(self.destruction)
def __init__(self, parent, update_cb=None, debug=False): #, destroy_cb):
rb.RaccoonDefaultWidget.__init__(self, parent)
DebugTools.DebugObj.__init__(self, debug)
Pmw.Group.__init__(self, parent=parent, tag_text = 'Target interactions', tag_font=self.FONTbold,
ring_border=1, ring_highlightcolor='black', ring_highlightbackground='black',
ring_highlightthickness=1,ring_relief='flat')
self.eventManager = RaccoonEvents.RaccoonEventManager()
self.eventManager.registerListener(RaccoonEvents.FilterInteractionEvent, self.update)
self.initIcons()
self.filters = []
self.update_cb = update_cb
self.container = tk.Frame(self.interior()) # this contains the widgets on the left
# build toolbar
self.toolbar = tk.Frame(self.container)
# add button
b = tk.Button(self.toolbar, text='+', image=self._ICON_add, command=self.add, **self.BORDER)
b.pack(anchor='w', side='left')
# remove button
b = tk.Button(self.toolbar, text='-', image=self._ICON_del, **self.BORDER)
b.pack(anchor='w', side='left',padx=1)
selmenu = [ None,
['Remove inactive', 'normal', self.removeInactive],
['Remove all', 'normal', self.nuke],
]
menu = rb.RacMenu(b, selmenu, placement='under')
# selection button menu
b = tk.Button(self.toolbar, text='s', image=self._ICON_selmenu, **self.BORDER)
b.pack(anchor='w', side='left',padx=0)
selmenu = [ None,
['Activate all', 'normal', self.setAllActive],
['Deactivate all', 'normal', self.setAllInactive],
['Invert active/inactive', 'normal', self.invertStatus],
]
menu = rb.RacMenu(b, selmenu, placement='under')
# mode pulldown
self._mode_choices = { 'match all': 'all', 'match any': 'any'}
self.modeChoice = OptionMenuFix(self.toolbar,
menubutton_font = self.FONT,
menu_font = self.FONT,
menubutton_width = 10,
menubutton_bd = 1, menubutton_highlightbackground = 'black',
menubutton_borderwidth=1, menubutton_highlightcolor='black',
menubutton_highlightthickness = 1,
menubutton_height=1,
#command = self.trigger,
items = sorted(self._mode_choices.keys(), reverse=True),
)
f = tk.Frame(self.toolbar)
self.labelActiveFilt = tk.IntVar(value='0')
tk.Label(f, text='active filters:', font=self.FONT).pack(anchor='w',side='left')
tk.Label(f, textvar=self.labelActiveFilt, font=self.FONTbold).pack(anchor='w',side='left')
f.pack(anchor='w', side='left', padx=15)
self.modeChoice.pack(anchor='w', side='right', padx=1)
self.toolbar.pack(anchor='w', side='top', expand=1, fill='x', padx=4, pady=2)
# build filter filtFrame
self.filtFrame = Pmw.ScrolledFrame(self.container, horizflex='expand', # vertflex='expand',
vscrollmode='static', hscrollmode='dynamic')
#self.filtFrame.component('hull').configure(**self.BORDER)
self.filtFrame.component('clipper').configure(bg='white')
self.filtFrame.component('frame').configure(relief='flat', bg='white')
#self.filtFrame.component('vertscrollbar').bind("<Button-4>", self.mousescroll)
for c in [ 'borderframe', 'clipper', 'frame', 'horizscrollbar', 'hull', 'vertscrollbar']:
self.filtFrame.component(c).bind("<Button-4>", self.mousescroll)
self.filtFrame.component(c).bind("<Button-5>", self.mousescroll)
self.interior().bind("<Button-4>", self.mousescroll)
self.interior().bind("<Button-5>", self.mousescroll)
self.filtFrame.pack(anchor='w', side='top', expand=1, fill='both',padx=4, pady=2)
self.container.pack(anchor='w',side='left', expand=1, fill='both')
self.percentageFrame = tk.Frame(self.interior()) # this contains the widgets on the right
# pie
self.pie = hf.PercentPie(self.percentageFrame, radius=50)
self.pie.pack(anchor='n', side='top', padx=5, pady=5)
#self.pie.set_percent(20)
# passed label
f = tk.Frame(self.percentageFrame)
tk.Label(f, text='passed :', font=self.FONTbold).pack(side='left',anchor='w')
self.statusLabel = tk.Label(f, text='0', width=8, anchor='w', font=self.FONT)
self.statusLabel.pack(side='left', anchor='w')
f.pack(anchor='n', side='top')
#self.percentageFrame.pack(anchor='e',side='left', expand=1, fill='y')
self.percentageFrame.pack(expand=0,fill=None, anchor='e', side='left')
class InteractionFilterWidget(rb.RaccoonDefaultWidget, DebugTools.DebugObj, tk.Frame):
""" provide the interaction filter widget
with different types:
HBa
HBd
HB
Metal
vdW
Pi-stack
T-stack
Generic stack
checkbutton pulldown entry button (remove)
[x] | | [type..] | [ string ] [ x ]
"""
def __init__(self, parent, manager, settings={}, color=None, debug = False): #, destroy_cb):
self.color = '#bbff33'
self.color = color # differenciate filter types?
rb.RaccoonDefaultWidget.__init__(self, parent)
DebugTools.DebugObj.__init__(self, debug)
tk.Frame.__init__(self, master=self.parent, relief='raised', bg=color, **self.BORDER)
self.manager = manager
self._widgets = [self]
self.initIcons()
self.destroy_cb = None # destroy_cb
self.eventManager = self.manager.eventManager
#self.eventManager = eventManager
#self.event = RaccoonEvents.FilterSetSelection()
self.settings = settings
self.build()
self.setfilter()
# hack to have mouse wheel to work all the time
for w in self._widgets:
w.bind("<Button-4>", self.manager.mousescroll)
w.bind("<Button-5>", self.manager.mousescroll)
if hasattr(w, 'components'):
for c in w.components():
w.component(c).bind("<Button-4>", self.manager.mousescroll)
w.component(c).bind("<Button-5>", self.manager.mousescroll)
def build(self):
""" build the widgets"""
entry_width = 10
# types strings
self._notype = '< select type >'
self.stringToType = {
'HB donor' : 'hbd',
'HB acceptor' : 'hba',
'HB any' : 'hb',
'Metal coord': 'metal',
'vdW contact': 'vdw',
'Pi-stacking': 'ppi', # XXX check this
'T-stacking' : 'tpi', # XXX check this
'Any stacking': 'pi', # XXX check this
}
self.typeToString = {}
for k,v in self.stringToType.items():
self.typeToString[v] = k
# active checkbutton
self.active_var = tk.BooleanVar(value=False)
self.active = tk.Checkbutton(self, variable=self.active_var,
bg=self.color, command=self.trigger)
#self.active.pack(side='left', anchor='w', expand=0, fill='none')
# interaction type
self.typeChoice = OptionMenuFix(self,
menubutton_font = self.FONT,
menubutton_bg = self.color,
menu_font = self.FONT,
menubutton_width = 15,
menubutton_bd = 1, menubutton_highlightbackground = 'black',
menubutton_borderwidth=1, menubutton_highlightcolor='black',
menubutton_highlightthickness = 1,
menubutton_height=1,
command = self.trigger, # self.typeValidator, # self.trigger,
items = sorted(self.stringToType.keys())
)
self.typeChoice.setvalue(self._notype)
self.typeChoice.pack(side='left', anchor='w', expand=1, fill='x', padx=3, pady=1)
self._widgets.append(self.typeChoice)
# strings
f = tk.Frame(self) # nested frames to have a decent alignment (Tk sucks(TM) )
ef = tk.Frame(f)
# chain
self.chain = Pmw.EntryField(ef, entry_font=self.FONT,
labelpos = 'n', label_font=self.FONT, label_text='chain',
hull_bg = self.color,
entry_width=4, entry_justify='center',
entry_bd = 1, entry_highlightbackground = 'black',
entry_borderwidth=1, entry_highlightcolor='black',
entry_highlightthickness = 1,
)
self.chain.pack(side='left', anchor='n', expand=0, fill='x', padx=3 )
self.chain.component('entry').bind('<Return>', self.return_cb)
self.chain.component('entry').bind('<Leave>', self.focusLeave_cb)
self._widgets.append(self.chain)
# residue
self.residue = Pmw.EntryField(ef, entry_font=self.FONT,
labelpos = 'n', label_font=self.FONT, label_text='residue',
hull_bg = self.color,
entry_width=entry_width, entry_justify='center',
entry_highlightbackground = 'black',
entry_borderwidth=1, entry_highlightcolor='black',
entry_highlightthickness = 1,
)
self.residue.pack(side='left', anchor='n', expand=1, fill='x', padx=3)
self.residue.component('entry').bind('<Return>', self.return_cb)
self.residue.component('entry').bind('<Leave>', self.focusLeave_cb)
self._widgets.append(self.residue)
# atom
self.atom = Pmw.EntryField(ef, entry_font=self.FONT,
labelpos = 'n', label_font=self.FONT, label_text='atom',
hull_bg = self.color,
entry_width=entry_width, entry_justify='center',
entry_highlightbackground = 'black',
entry_borderwidth=1, entry_highlightcolor='black',
entry_highlightthickness = 1,
)
self.atom.pack(side='left', anchor='n', expand=1, fill='x', padx=3)
self.atom.component('entry').bind('<Return>', self.return_cb)
self._widgets.append(self.atom)
s = tk.Frame(f, height=15)
s.pack(side='bottom', anchor='w', expand=1, fill='both')
ef.pack(side='top', anchor='w', expand=1, fill='x', padx=3)
f.pack(side='left', anchor='w', expand=1, fill='both')
self._widgets.append(s)
self._widgets.append(ef)
self._widgets.append(f)
# wanted/not wanted
self.wanted = True
self.wantedButton = tk.Button(self, font=self.FONTbold, image=self._ICON_filtoff, relief='flat')
selmenu = [ None,
['wanted', 'normal', self.setPositive],
['not wanted', 'normal', self.setNegative],
['disable', 'normal', self.setOff],
]
menu = rb.RacMenu(self.wantedButton, selmenu, placement='under')
self.wantedButton.pack(side='left', anchor='w', expand=0, fill='none', padx=1, pady=1)
self._widgets.append(self.wantedButton)
# destroy button
self.destruction = tk.Button(self, text="X", image=self._ICON_del, command=self.destroy,
bg=self.color,
relief='flat') #,width=22) #, **self.BORDER)
self.destruction.pack(side='left', anchor='w', expand=0, fill='none')
self._widgets.append(self.destruction)
def initIcons(self):
""" initialize the icons for the interface"""
icon_path = CADD.Raccoon2.ICONPATH
f = icon_path + os.sep + 'removeSmall.png'
f = icon_path + os.sep + 'removeSmallbw.png'
self._ICON_del = ImageTk.PhotoImage(Image.open(f))
f = icon_path + os.sep + 'filt_positive.png'
f = icon_path + os.sep + 'filt_positiveLight.png'
self._ICON_filtpos = ImageTk.PhotoImage(Image.open(f))
f = icon_path + os.sep + 'filt_negativeLight.png'
self._ICON_filtneg = ImageTk.PhotoImage(Image.open(f))
f = icon_path + os.sep + 'filt_inactiveLight.png'
self._ICON_filtoff = ImageTk.PhotoImage(Image.open(f))
def setPositive(self, event=None):
""" set the interaction to be wanted"""
self.wanted = True
self.wantedButton.configure(image=self._ICON_filtpos, text='A')
self.enable()
#self.trigger()
def setNegative(self, event=None):
""" set the interaction to be not wanted"""
self.wanted = False
self.wantedButton.configure(image=self._ICON_filtneg, text='R')
self.enable()
#self.trigger()
def setOff(self, event=None):
""" turn off the filter"""
self.wantedButton.configure(image=self._ICON_filtoff, text='R')
current = self.active_var.get()
self.active_var.set(False)
# the filter was active, it has been disabled
# so we need to send event for filterEngine to
# be triggered
if not self.active_var.get() == current:
self.sendEvent()
def return_cb(self, event=None):
""" function called when return is pressed
in the text fields
"""
if self.wanted == True:
self.setPositive()
else:
self.setNegative()
def focusLeave_cb(self, event=None):
""" trigger status check for entries
when they loose focus
Important when the filter has been alread
activated, then the user changes the text in the
field
"""
if not self.isActive():
return
self.entryValidator(quiet=False)
def isActive(self, event=None):
""" return if the filter is active"""
return self.active_var.get()
def disable(self, event=None):
""" disable the filter"""
self.active_var.set(False)
def enable(self, event=None, quiet=True):
""" enable the filter"""
self.active_var.set(True)
self.trigger(quiet=quiet)
def entryValidator(self, string=None, quiet=True):
""" validate the text entry field
"""
#if string == None:
# string = self.entry.getvalue()
chain = self.chain.getvalue().strip()
res = self.residue.getvalue().strip()
atom = self.atom.getvalue().strip()
if not chain and not res and not atom:
self.setOff()
if not quiet:
t = 'Interaction specification not valid'
i = 'error'
m = ('The interaction must be defined by typing at '
'least a chain, residue or atom string.\n'
'Single character "?" and multi-character "*" wildcards can be used.'
)
tmb.showinfo(parent=self, title=t, icon=i, message=m)
return False
return True
def typeValidator(self, string=None, quiet=False):
""" validate type selection """
_type = self.typeChoice.getvalue()
if _type == self._notype:
if not quiet:
t = 'Filter type error'
i = 'warning'
m = ('An interaction type must be selected')
tmb.showinfo(parent=self, title=t, icon=i, message=m)
self.setOff()
return False
return True
def isvalid(self, quiet=True):
"""return if the entry is valid"""
typeCheck = self.typeValidator(quiet=quiet)
if not typeCheck: # or not self.isActive():
return
if not self.isActive():
return
entryCheck = self.entryValidator(quiet=quiet)
return (typeCheck and entryCheck)
def trigger(self, event=None, quiet=False):
""" command executed when the filter is activated"""
#curr_state = self.isActive() # active_var.get()
if not self.isvalid(quiet=quiet):
return
self.active_var.set(True)
self.sendEvent()
def sendEvent(self):
""" trigger the event"""
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def getType(self):
""" return interaction type"""
return self.stringToType[ self.typeChoice.getvalue() ]
def getPattern(self):
""" return interaction text pattern"""
c = self.chain.getvalue().strip()
r = self.residue.getvalue().strip()
a = self.atom.getvalue().strip()
if c == "": c = "*"
if r == "": r = "*"
if a == "": a = "*"
return "%s:%s:%s" % (c,r,a)
def setfilter(self, settings={}):
""" initialize filter with requested values"""
if settings == {}:
settings == self.settings
if settings == {}:
return
t = self.settings['type']
t = self.typeToString[t]
e = self.settings['patter']
self.typeChoice.setvalue(t)
self.entry.setvalue(e)
if self.isvalid(): self.active_var.set(True)
# FIXME set this to active?
#return { 'type' : t, 'pattern' : e }
def destroy(self, event=None):
""" remove itself from the list of filters
and unpack the widget
"""
t = 'Delete filter'
i = 'info'
m = ('Remove this filter?')
if self.isvalid():
if not tmb.askyesno(parent=self, title=t, message=m, icon=i):
return
self.destroy_cb()
def build(self):
# get info from the current manager
self.info = self.jmanager.getTreeGraph()
self.prj_list = sorted(self.info.keys()) + [self._new]
#self.prj_list.append(self._new)
self.win = Pmw.Dialog(parent=self.parent, buttons=('OK', 'Cancel'),
title = 'Submit jobs', command = self.close)
w = self.win.interior()
bbox = self.win.component('buttonbox')
for i in range(bbox.numbuttons()):
bbox.button(i).configure(font=self.FONT, default='disabled', **self.BORDER)
tk.Label(w, text='Select the new VS properties', font=self.FONT).grid(row=0,column=1, sticky='we', columnspan=3,padx=5,pady=5)
tk.Frame(w,height=2,bd=1,relief='sunken').grid(row=1, column=0, sticky='ew', columnspan=3, pady=3)
# project
tk.Label(w, text='Project', font=self.FONTbold, width=12,anchor='e').grid(row=3,column=1,sticky='we')
tk.Label(w, text='', font=self.FONT, width=10).grid(row=4,column=1,sticky='we',pady=5) # placeholder for entry
self.prj_pull = OptionMenuFix(w,
menubutton_width=30,
menubutton_font=self.FONT,
menu_font=self.FONT,
menubutton_bd = 1, menubutton_highlightbackground = 'black',
menubutton_borderwidth=1, menubutton_highlightcolor='black',
menubutton_highlightthickness = 1,
menubutton_height=1,
items = self.prj_list,
initialitem=-1,
command = self._setprjname)
self.prj_pull.grid(row=3,column=2,sticky='we',padx=3)
self.prj_new = Pmw.EntryField(w, value='', validate = {'validator' : hf.validateAscii, 'minstrict': 0}) #,
self.prj_new.component('entry').configure(justify='left', font=self.FONT, bg='pink',width=33, **self.BORDER)
# --------------------------------
tk.Frame(w,height=2,bd=1,relief='sunken').grid(row=6, column=0, sticky='ew', columnspan=3, pady=3)
# experiment
tk.Label(w, text='Experiment', font=self.FONTbold, width=12,anchor='e').grid(row=7,column=1,sticky='we')
tk.Label(w, text='', font=self.FONT, width=10).grid(row=8,column=1,sticky='we',pady=5) # placeholder for entry
self.exp_pull = OptionMenuFix(w,labelpos='w',
menubutton_width=30,
menubutton_font=self.FONT,
menu_font=self.FONT,
menubutton_bd = 1, menubutton_highlightbackground = 'black',
menubutton_borderwidth=1, menubutton_highlightcolor='black',
menubutton_highlightthickness = 1,
menubutton_height=1,
items=[self._new],
initialitem=-1,
command = self._setexpname)
self.exp_pull.grid(row=7, column =2, sticky='we',padx=3)
self.exp_new = Pmw.EntryField(w, value='', validate = {'validator' : hf.validateAscii, 'minstrict':0}) #,
self.exp_new.component('entry').configure(justify='left', font=self.FONT, bg='pink',width=30, **self.BORDER)
# initialize the interface with the projects
self._setprjname()
self.prj_pull.setvalue( self.prj_list[-1])
# --------------------------------
tk.Frame(w,height=2,bd=1,relief='sunken').grid(row=9, column=0, sticky='ew', columnspan=3, pady=3)
# job tag
tk.Label(w, text='Optional jobs name tag', font=self.FONT).grid(row=10, column=1,columnspan=3,sticky='we',padx=5)
self.tag_entry = Pmw.EntryField(w, value='', validate = hf.validateAsciiEmpty) #,
self.tag_entry.component('entry').configure(justify='left', font=self.FONT, bg='white',width=30, **self.BORDER)
self.tag_entry.grid(row=11,column=1, columnspan=3, sticky='we', padx=4,pady=4)
self.win.bind('<Escape>', self.close)
self.setSuggest()
self.win.activate()
class InteractFiltManager(rb.RaccoonDefaultWidget, DebugTools.DebugObj, Pmw.Group):
""" provide the interaction filters manager widget
"""
def __init__(self, parent, update_cb=None, debug=False): #, destroy_cb):
rb.RaccoonDefaultWidget.__init__(self, parent)
DebugTools.DebugObj.__init__(self, debug)
Pmw.Group.__init__(self, parent=parent, tag_text = 'Target interactions', tag_font=self.FONTbold,
ring_border=1, ring_highlightcolor='black', ring_highlightbackground='black',
ring_highlightthickness=1,ring_relief='flat')
self.eventManager = RaccoonEvents.RaccoonEventManager()
self.eventManager.registerListener(RaccoonEvents.FilterInteractionEvent, self.update)
self.initIcons()
self.filters = []
self.update_cb = update_cb
self.container = tk.Frame(self.interior()) # this contains the widgets on the left
# build toolbar
self.toolbar = tk.Frame(self.container)
# add button
b = tk.Button(self.toolbar, text='+', image=self._ICON_add, command=self.add, **self.BORDER)
b.pack(anchor='w', side='left')
# remove button
b = tk.Button(self.toolbar, text='-', image=self._ICON_del, **self.BORDER)
b.pack(anchor='w', side='left',padx=1)
selmenu = [ None,
['Remove inactive', 'normal', self.removeInactive],
['Remove all', 'normal', self.nuke],
]
menu = rb.RacMenu(b, selmenu, placement='under')
# selection button menu
b = tk.Button(self.toolbar, text='s', image=self._ICON_selmenu, **self.BORDER)
b.pack(anchor='w', side='left',padx=0)
selmenu = [ None,
['Activate all', 'normal', self.setAllActive],
['Deactivate all', 'normal', self.setAllInactive],
['Invert active/inactive', 'normal', self.invertStatus],
]
menu = rb.RacMenu(b, selmenu, placement='under')
# mode pulldown
self._mode_choices = { 'match all': 'all', 'match any': 'any'}
self.modeChoice = OptionMenuFix(self.toolbar,
menubutton_font = self.FONT,
menu_font = self.FONT,
menubutton_width = 10,
menubutton_bd = 1, menubutton_highlightbackground = 'black',
menubutton_borderwidth=1, menubutton_highlightcolor='black',
menubutton_highlightthickness = 1,
menubutton_height=1,
#command = self.trigger,
items = sorted(self._mode_choices.keys(), reverse=True),
)
f = tk.Frame(self.toolbar)
self.labelActiveFilt = tk.IntVar(value='0')
tk.Label(f, text='active filters:', font=self.FONT).pack(anchor='w',side='left')
tk.Label(f, textvar=self.labelActiveFilt, font=self.FONTbold).pack(anchor='w',side='left')
f.pack(anchor='w', side='left', padx=15)
self.modeChoice.pack(anchor='w', side='right', padx=1)
self.toolbar.pack(anchor='w', side='top', expand=1, fill='x', padx=4, pady=2)
# build filter filtFrame
self.filtFrame = Pmw.ScrolledFrame(self.container, horizflex='expand', # vertflex='expand',
vscrollmode='static', hscrollmode='dynamic')
#self.filtFrame.component('hull').configure(**self.BORDER)
self.filtFrame.component('clipper').configure(bg='white')
self.filtFrame.component('frame').configure(relief='flat', bg='white')
#self.filtFrame.component('vertscrollbar').bind("<Button-4>", self.mousescroll)
for c in [ 'borderframe', 'clipper', 'frame', 'horizscrollbar', 'hull', 'vertscrollbar']:
self.filtFrame.component(c).bind("<Button-4>", self.mousescroll)
self.filtFrame.component(c).bind("<Button-5>", self.mousescroll)
self.interior().bind("<Button-4>", self.mousescroll)
self.interior().bind("<Button-5>", self.mousescroll)
self.filtFrame.pack(anchor='w', side='top', expand=1, fill='both',padx=4, pady=2)
self.container.pack(anchor='w',side='left', expand=1, fill='both')
self.percentageFrame = tk.Frame(self.interior()) # this contains the widgets on the right
# pie
self.pie = hf.PercentPie(self.percentageFrame, radius=50)
self.pie.pack(anchor='n', side='top', padx=5, pady=5)
#self.pie.set_percent(20)
# passed label
f = tk.Frame(self.percentageFrame)
tk.Label(f, text='passed :', font=self.FONTbold).pack(side='left',anchor='w')
self.statusLabel = tk.Label(f, text='0', width=8, anchor='w', font=self.FONT)
self.statusLabel.pack(side='left', anchor='w')
f.pack(anchor='n', side='top')
#self.percentageFrame.pack(anchor='e',side='left', expand=1, fill='y')
self.percentageFrame.pack(expand=0,fill=None, anchor='e', side='left')
def setpassed(self, count, percentage):
""" set the numerical value of
items that passed this filter
"""
self.statusLabel.configure(text=count)
self.pie.set_percent(percentage)
def setAllActive(self, event=None):
""" set all filters active"""
change = False
for o in self.filters:
if not o.isActive():
o.enable(quiet=True)
if o.isActive():
change = False
if change:
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def setAllInactive(self, event=None):
""" set all filters inactive"""
change = False
for o in self.filters:
if o.isActive():
o.disable()
change = True
if change:
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def invertStatus(self, event=None):
""" invert filter status"""
change = False
for o in self.filters:
if o.isActive():
o.disable()
change = True
else:
o.enable(quiet=True)
if o.isActive():
change = True
if change:
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def countActive(self, event=None):
""" update count label of active filters"""
c = 0
for o in self.filters:
if o.active_var.get():
c+= 1
self.labelActiveFilt.set(c)
def mousescroll(self, event):
""" manage mousescroll events"""
if event.num == 5 or event.delta == -120:
self.filtFrame.yview(tk.SCROLL, +1, tk.UNITS)
if event.num ==4 or event.delta == 120:
self.filtFrame.yview(tk.SCROLL, -1, tk.UNITS)
def initIcons(self):
""" initialize the icons for the interface"""
icon_path = CADD.Raccoon2.ICONPATH
f = icon_path + os.sep + 'removeSmall.png'
self._ICON_del = ImageTk.PhotoImage(Image.open(f))
f = icon_path + os.sep + 'addSmall.png'
self._ICON_add = ImageTk.PhotoImage(Image.open(f))
f = icon_path + os.sep + 'select_menu.png'
self._ICON_selmenu = ImageTk.PhotoImage(Image.open(f))
def add(self, event=None, settings={}):
""" add a new filter widget
if settings is not empty, the new filter
will be initialized with the specified values
"""
f = InteractionFilterWidget( self.filtFrame.interior(),
manager = self, settings=settings)
cb = CallbackFunction(self.destroy, f)
f.destroy_cb = cb
self.filters.append(f)
f.pack(anchor='w', side='top', padx=2, pady=1, expand=1,fill='x')
# NOTE no event when adding (empty filter!) nor when
# settings are restored, otherwise restoting a pre-saved
# set of multi-interaction settings will trigger
# a lot of filter updates (i.e. troubles, when many ligands
# are loaded.
# the function creating
# the filter (i.e. FiltSettingManager) should
# take care of populating all filters first
# *then* initial kick is given.
# trigger event # XXX no! it's empty
#if not settings == {}
# e = RaccoonEvents.FilterInteractionEvent()
# self.eventManager.dispatchEvent(e)
def nuke(self, event=None, quiet=False):
""" remove all the filters at once"""
if len(self.filters) ==0 : return
if not quiet:
for o in self.filters:
if o.isActive():
t = 'Remove all filters'
i = 'info'
m = ('All interaction filters are going to be removed.\n\nAre you sure?')
if not tmb.askyesno(parent=self.interior(), title=t, message=m, icon=i):
return
break
for o in self.filters:
o.pack_forget()
self.filters = []
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def removeInactive(self, event=None):
""" remove inactive filters"""
if len(self.filters) ==0 : return
rem = []
for o in self.filters:
if not o.isActive():
o.pack_forget()
rem.append(o)
for o in rem:
self.filters.remove(o)
def destroy(self, obj, event=None):
""" remove a filter from the filters db
and destroy the widget
"""
obj.pack_forget()
self.filters.remove(obj)
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def getvalues(self, event=None):
""" return the dictionary of all filters and the mode"""
settings = { 'mode' : self._mode_choices[ self.modeChoice.getvalue() ] ,
'pattern': {} }
for o in self.filters:
if o.isActive():
otype = o.getType()
opatt = o.getPattern()
wanted = o.wanted
if not otype in settings['pattern'].keys():
settings['pattern'][otype] = []
self.dprint("iteractFilt[%s] = [%s][%s]" % (otype, opatt, wanted))
settings['pattern'][otype].append((opatt,wanted))
return settings
def update(self, event=None):
""" when updating, fire this"""
self.countActive()
self.update_cb()
def build(self):
# get info from the current manager
self.info = self.jmanager.getTreeGraph()
self.prj_list = sorted(self.info.keys()) + [self._new]
#self.prj_list.append(self._new)
self.win = Pmw.Dialog(parent=self.parent,
buttons=('OK', 'Cancel'),
title='Submit jobs',
command=self.close)
w = self.win.interior()
bbox = self.win.component('buttonbox')
for i in range(bbox.numbuttons()):
bbox.button(i).configure(font=self.FONT,
default='disabled',
**self.BORDER)
tk.Label(w, text='Select the new VS properties',
font=self.FONT).grid(row=0,
column=1,
sticky='we',
columnspan=3,
padx=5,
pady=5)
tk.Frame(w, height=2, bd=1, relief='sunken').grid(row=1,
column=0,
sticky='ew',
columnspan=3,
pady=3)
# project
tk.Label(w, text='Project', font=self.FONTbold, width=12,
anchor='e').grid(row=3, column=1, sticky='we')
tk.Label(w, text='', font=self.FONT,
width=10).grid(row=4, column=1, sticky='we',
pady=5) # placeholder for entry
self.prj_pull = OptionMenuFix(w,
menubutton_width=30,
menubutton_font=self.FONT,
menu_font=self.FONT,
menubutton_bd=1,
menubutton_highlightbackground='black',
menubutton_borderwidth=1,
menubutton_highlightcolor='black',
menubutton_highlightthickness=1,
menubutton_height=1,
items=self.prj_list,
initialitem=-1,
command=self._setprjname)
self.prj_pull.grid(row=3, column=2, sticky='we', padx=3)
self.prj_new = Pmw.EntryField(w,
value='',
validate={
'validator': hf.validateAscii,
'minstrict': 0
}) #,
self.prj_new.component('entry').configure(justify='left',
font=self.FONT,
bg='pink',
width=33,
**self.BORDER)
# --------------------------------
tk.Frame(w, height=2, bd=1, relief='sunken').grid(row=6,
column=0,
sticky='ew',
columnspan=3,
pady=3)
# experiment
tk.Label(w,
text='Experiment',
font=self.FONTbold,
width=12,
anchor='e').grid(row=7, column=1, sticky='we')
tk.Label(w, text='', font=self.FONT,
width=10).grid(row=8, column=1, sticky='we',
pady=5) # placeholder for entry
self.exp_pull = OptionMenuFix(w,
labelpos='w',
menubutton_width=30,
menubutton_font=self.FONT,
menu_font=self.FONT,
menubutton_bd=1,
menubutton_highlightbackground='black',
menubutton_borderwidth=1,
menubutton_highlightcolor='black',
menubutton_highlightthickness=1,
menubutton_height=1,
items=[self._new],
initialitem=-1,
command=self._setexpname)
self.exp_pull.grid(row=7, column=2, sticky='we', padx=3)
self.exp_new = Pmw.EntryField(w,
value='',
validate={
'validator': hf.validateAscii,
'minstrict': 0
}) #,
self.exp_new.component('entry').configure(justify='left',
font=self.FONT,
bg='pink',
width=30,
**self.BORDER)
# initialize the interface with the projects
self._setprjname()
self.prj_pull.setvalue(self.prj_list[-1])
# --------------------------------
tk.Frame(w, height=2, bd=1, relief='sunken').grid(row=9,
column=0,
sticky='ew',
columnspan=3,
pady=3)
# job tag
tk.Label(w, text='Optional jobs name tag',
font=self.FONT).grid(row=10,
column=1,
columnspan=3,
sticky='we',
padx=5)
self.tag_entry = Pmw.EntryField(w,
value='',
validate=hf.validateAsciiEmpty) #,
self.tag_entry.component('entry').configure(justify='left',
font=self.FONT,
bg='white',
width=30,
**self.BORDER)
self.tag_entry.grid(row=11,
column=1,
columnspan=3,
sticky='we',
padx=4,
pady=4)
self.win.bind('<Escape>', self.close)
self.setSuggest()
self.win.activate()
class JobSubmissionInterface(rb.RaccoonDefaultWidget):
""" ask for Project, Exp, VS info..."""
def __init__(self, parent, jmanager, app, suggest={}):
""" parent : tkparent
jmanager : job manager tree (to query current prj,exp...)
app : containing app
"""
rb.RaccoonDefaultWidget.__init__(self, parent)
self.jmanager = jmanager
self.app = app
self._new = '<new>'
self.jobdata = None
self.suggest = suggest
self.initIcons()
self.build()
def initIcons(self):
pass
def close(self, result):
""" close the window and decides what to do
if OK requested, check values and start submission
"""
if result == 'OK':
if not self.checkinfo():
return
p = self.getPrj()
e = self.getExp()
t = self.tag_entry.getvalue().strip()
self.jobdata = {'prj' : p, 'exp': e, 'tag':t}
self.win.deactivate(self.jobdata)
else:
self.win.deactivate(False)
def getPrj(self):
""" return the project name"""
m = ('The project name is not valid.\n')
p = self.prj_pull.getvalue() # old project
if p == self._new:
if not self.prj_new.valid():
self.errorMsg(m)
return False
p = self.prj_new.getvalue()
return p
def getExp(self):
""" return the experiment name"""
m = ('The experiment name is not valid.\n')
e = self.exp_pull.getvalue() # old project
if e == self._new:
if not self.exp_new.valid():
self.errorMsg(m)
return False
e = self.exp_new.getvalue()
return e
def getTag(self):
""" return the tag"""
tag = self.tag_entry.getvalue()
return tag
def checkDuplicates(self):
""" check that the jobs that are going to be
submitted do not have the same name of
already submitted jobs
"""
m = ('The submission cannot be performed because there '
'are already jobs with the same name stored in project %s '
'/experiment %s.\n\n'
'Either create new project/experiments or use a different tag.')
job_info = {'prj' : self.getPrj(),
'exp' : self.getExp(),
'tag' : self.getTag()
}
report = self.app.testSshJobs(job_info)
e = []
if len(report['server_duplicates']):
e.append('the current server')
if len(report['local_duplicates']):
e.append('the local client')
if len(e):
m = m % ( job_info['prj'], job_info['exp'])
self.errorMsg(m)
return False
return True
def checkinfo(self):
""" check that user provided info are valid"""
if not self.getPrj():
return False
if not self.getExp():
return False
if not self.checkDuplicates():
return False
return True
def errorMsg(self, message):
""" display submission entries error"""
t = 'Incorrect name entry'
i = 'error'
tmb.showinfo(parent=self.win.interior(), title=t, message=message, icon=i)
return
def getinfo(self):
""" return the user provided info"""
return self.jobdata
def _setprjname(self, event=None):
choice = self.prj_pull.getvalue()
if choice == self._new:
self.prj_new.grid(row=4, column=2, sticky='we',padx=4,pady=4)
self.prj_new.checkentry()
else:
self.prj_new.grid_forget()
exp_list = self._getexplist()
self.exp_pull.setitems( exp_list )
self.exp_pull.setvalue( exp_list[-1])
self.exp_pull.invoke()
def _getexplist(self, event=None):
prj = self.prj_pull.getvalue()
if prj == self._new:
return [self._new]
else:
exp_list = sorted(self.info[prj].keys())
return exp_list + [self._new]
def _setexpname(self, event=None):
choice = self.exp_pull.getvalue()
if choice == self._new:
self.exp_new.grid(row=8,column=2, sticky='we', padx=4,pady=4)
self.exp_new.checkentry()
else:
self.exp_new.grid_forget()
def build(self):
# get info from the current manager
self.info = self.jmanager.getTreeGraph()
self.prj_list = sorted(self.info.keys()) + [self._new]
#self.prj_list.append(self._new)
self.win = Pmw.Dialog(parent=self.parent, buttons=('OK', 'Cancel'),
title = 'Submit jobs', command = self.close)
w = self.win.interior()
bbox = self.win.component('buttonbox')
for i in range(bbox.numbuttons()):
bbox.button(i).configure(font=self.FONT, default='disabled', **self.BORDER)
tk.Label(w, text='Select the new VS properties', font=self.FONT).grid(row=0,column=1, sticky='we', columnspan=3,padx=5,pady=5)
tk.Frame(w,height=2,bd=1,relief='sunken').grid(row=1, column=0, sticky='ew', columnspan=3, pady=3)
# project
tk.Label(w, text='Project', font=self.FONTbold, width=12,anchor='e').grid(row=3,column=1,sticky='we')
tk.Label(w, text='', font=self.FONT, width=10).grid(row=4,column=1,sticky='we',pady=5) # placeholder for entry
self.prj_pull = OptionMenuFix(w,
menubutton_width=30,
menubutton_font=self.FONT,
menu_font=self.FONT,
menubutton_bd = 1, menubutton_highlightbackground = 'black',
menubutton_borderwidth=1, menubutton_highlightcolor='black',
menubutton_highlightthickness = 1,
menubutton_height=1,
items = self.prj_list,
initialitem=-1,
command = self._setprjname)
self.prj_pull.grid(row=3,column=2,sticky='we',padx=3)
self.prj_new = Pmw.EntryField(w, value='', validate = {'validator' : hf.validateAscii, 'minstrict': 0}) #,
self.prj_new.component('entry').configure(justify='left', font=self.FONT, bg='pink',width=33, **self.BORDER)
# --------------------------------
tk.Frame(w,height=2,bd=1,relief='sunken').grid(row=6, column=0, sticky='ew', columnspan=3, pady=3)
# experiment
tk.Label(w, text='Experiment', font=self.FONTbold, width=12,anchor='e').grid(row=7,column=1,sticky='we')
tk.Label(w, text='', font=self.FONT, width=10).grid(row=8,column=1,sticky='we',pady=5) # placeholder for entry
self.exp_pull = OptionMenuFix(w,labelpos='w',
menubutton_width=30,
menubutton_font=self.FONT,
menu_font=self.FONT,
menubutton_bd = 1, menubutton_highlightbackground = 'black',
menubutton_borderwidth=1, menubutton_highlightcolor='black',
menubutton_highlightthickness = 1,
menubutton_height=1,
items=[self._new],
initialitem=-1,
command = self._setexpname)
self.exp_pull.grid(row=7, column =2, sticky='we',padx=3)
self.exp_new = Pmw.EntryField(w, value='', validate = {'validator' : hf.validateAscii, 'minstrict':0}) #,
self.exp_new.component('entry').configure(justify='left', font=self.FONT, bg='pink',width=30, **self.BORDER)
# initialize the interface with the projects
self._setprjname()
self.prj_pull.setvalue( self.prj_list[-1])
# --------------------------------
tk.Frame(w,height=2,bd=1,relief='sunken').grid(row=9, column=0, sticky='ew', columnspan=3, pady=3)
# job tag
tk.Label(w, text='Optional jobs name tag', font=self.FONT).grid(row=10, column=1,columnspan=3,sticky='we',padx=5)
self.tag_entry = Pmw.EntryField(w, value='', validate = hf.validateAsciiEmpty) #,
self.tag_entry.component('entry').configure(justify='left', font=self.FONT, bg='white',width=30, **self.BORDER)
self.tag_entry.grid(row=11,column=1, columnspan=3, sticky='we', padx=4,pady=4)
self.win.bind('<Escape>', self.close)
self.setSuggest()
self.win.activate()
def setSuggest(self):
""" fill the submission with the suggestions"""
if self.suggest == {}:
return
if 'prj' in self.suggest.keys():
prj = self.suggest.pop('prj')
self.prj_pull.setvalue(prj)
self.prj_pull.invoke()
if 'exp' in self.suggest.keys():
exp = self.suggest.pop('exp')
self.exp_pull.setvalue(exp)
self.exp_pull.invoke()
if 'tag' in self.suggest.keys():
tag = self.suggest.pop('tag')
else:
tag = 'RESTARTED'
self.tag_entry.setvalue(tag)
class JobSubmissionInterface(rb.RaccoonDefaultWidget):
""" ask for Project, Exp, VS info..."""
def __init__(self, parent, jmanager, app, suggest={}):
""" parent : tkparent
jmanager : job manager tree (to query current prj,exp...)
app : containing app
"""
rb.RaccoonDefaultWidget.__init__(self, parent)
self.jmanager = jmanager
self.app = app
self._new = '<new>'
self.jobdata = None
self.suggest = suggest
self.initIcons()
self.build()
def initIcons(self):
pass
def close(self, result):
""" close the window and decides what to do
if OK requested, check values and start submission
"""
if result == 'OK':
if not self.checkinfo():
return
p = self.getPrj()
e = self.getExp()
t = self.tag_entry.getvalue().strip()
self.jobdata = {'prj': p, 'exp': e, 'tag': t}
self.win.deactivate(self.jobdata)
else:
self.win.deactivate(False)
def getPrj(self):
""" return the project name"""
m = ('The project name is not valid.\n')
p = self.prj_pull.getvalue() # old project
if p == self._new:
if not self.prj_new.valid():
self.errorMsg(m)
return False
p = self.prj_new.getvalue()
return p
def getExp(self):
""" return the experiment name"""
m = ('The experiment name is not valid.\n')
e = self.exp_pull.getvalue() # old project
if e == self._new:
if not self.exp_new.valid():
self.errorMsg(m)
return False
e = self.exp_new.getvalue()
return e
def getTag(self):
""" return the tag"""
tag = self.tag_entry.getvalue()
return tag
def checkDuplicates(self):
""" check that the jobs that are going to be
submitted do not have the same name of
already submitted jobs
"""
m = ('The submission cannot be performed because there '
'are already jobs with the same name stored in project %s '
'/experiment %s.\n\n'
'Either create new project/experiments or use a different tag.')
job_info = {
'prj': self.getPrj(),
'exp': self.getExp(),
'tag': self.getTag()
}
report = self.app.testSshJobs(job_info)
e = []
if len(report['server_duplicates']):
e.append('the current server')
if len(report['local_duplicates']):
e.append('the local client')
if len(e):
m = m % (job_info['prj'], job_info['exp'])
self.errorMsg(m)
return False
return True
def checkinfo(self):
""" check that user provided info are valid"""
if not self.getPrj():
return False
if not self.getExp():
return False
if not self.checkDuplicates():
return False
return True
def errorMsg(self, message):
""" display submission entries error"""
t = 'Incorrect name entry'
i = 'error'
tmb.showinfo(parent=self.win.interior(),
title=t,
message=message,
icon=i)
return
def getinfo(self):
""" return the user provided info"""
return self.jobdata
def _setprjname(self, event=None):
choice = self.prj_pull.getvalue()
if choice == self._new:
self.prj_new.grid(row=4, column=2, sticky='we', padx=4, pady=4)
self.prj_new.checkentry()
else:
self.prj_new.grid_forget()
exp_list = self._getexplist()
self.exp_pull.setitems(exp_list)
self.exp_pull.setvalue(exp_list[-1])
self.exp_pull.invoke()
def _getexplist(self, event=None):
prj = self.prj_pull.getvalue()
if prj == self._new:
return [self._new]
else:
exp_list = sorted(self.info[prj].keys())
return exp_list + [self._new]
def _setexpname(self, event=None):
choice = self.exp_pull.getvalue()
if choice == self._new:
self.exp_new.grid(row=8, column=2, sticky='we', padx=4, pady=4)
self.exp_new.checkentry()
else:
self.exp_new.grid_forget()
def build(self):
# get info from the current manager
self.info = self.jmanager.getTreeGraph()
self.prj_list = sorted(self.info.keys()) + [self._new]
#self.prj_list.append(self._new)
self.win = Pmw.Dialog(parent=self.parent,
buttons=('OK', 'Cancel'),
title='Submit jobs',
command=self.close)
w = self.win.interior()
bbox = self.win.component('buttonbox')
for i in range(bbox.numbuttons()):
bbox.button(i).configure(font=self.FONT,
default='disabled',
**self.BORDER)
tk.Label(w, text='Select the new VS properties',
font=self.FONT).grid(row=0,
column=1,
sticky='we',
columnspan=3,
padx=5,
pady=5)
tk.Frame(w, height=2, bd=1, relief='sunken').grid(row=1,
column=0,
sticky='ew',
columnspan=3,
pady=3)
# project
tk.Label(w, text='Project', font=self.FONTbold, width=12,
anchor='e').grid(row=3, column=1, sticky='we')
tk.Label(w, text='', font=self.FONT,
width=10).grid(row=4, column=1, sticky='we',
pady=5) # placeholder for entry
self.prj_pull = OptionMenuFix(w,
menubutton_width=30,
menubutton_font=self.FONT,
menu_font=self.FONT,
menubutton_bd=1,
menubutton_highlightbackground='black',
menubutton_borderwidth=1,
menubutton_highlightcolor='black',
menubutton_highlightthickness=1,
menubutton_height=1,
items=self.prj_list,
initialitem=-1,
command=self._setprjname)
self.prj_pull.grid(row=3, column=2, sticky='we', padx=3)
self.prj_new = Pmw.EntryField(w,
value='',
validate={
'validator': hf.validateAscii,
'minstrict': 0
}) #,
self.prj_new.component('entry').configure(justify='left',
font=self.FONT,
bg='pink',
width=33,
**self.BORDER)
# --------------------------------
tk.Frame(w, height=2, bd=1, relief='sunken').grid(row=6,
column=0,
sticky='ew',
columnspan=3,
pady=3)
# experiment
tk.Label(w,
text='Experiment',
font=self.FONTbold,
width=12,
anchor='e').grid(row=7, column=1, sticky='we')
tk.Label(w, text='', font=self.FONT,
width=10).grid(row=8, column=1, sticky='we',
pady=5) # placeholder for entry
self.exp_pull = OptionMenuFix(w,
labelpos='w',
menubutton_width=30,
menubutton_font=self.FONT,
menu_font=self.FONT,
menubutton_bd=1,
menubutton_highlightbackground='black',
menubutton_borderwidth=1,
menubutton_highlightcolor='black',
menubutton_highlightthickness=1,
menubutton_height=1,
items=[self._new],
initialitem=-1,
command=self._setexpname)
self.exp_pull.grid(row=7, column=2, sticky='we', padx=3)
self.exp_new = Pmw.EntryField(w,
value='',
validate={
'validator': hf.validateAscii,
'minstrict': 0
}) #,
self.exp_new.component('entry').configure(justify='left',
font=self.FONT,
bg='pink',
width=30,
**self.BORDER)
# initialize the interface with the projects
self._setprjname()
self.prj_pull.setvalue(self.prj_list[-1])
# --------------------------------
tk.Frame(w, height=2, bd=1, relief='sunken').grid(row=9,
column=0,
sticky='ew',
columnspan=3,
pady=3)
# job tag
tk.Label(w, text='Optional jobs name tag',
font=self.FONT).grid(row=10,
column=1,
columnspan=3,
sticky='we',
padx=5)
self.tag_entry = Pmw.EntryField(w,
value='',
validate=hf.validateAsciiEmpty) #,
self.tag_entry.component('entry').configure(justify='left',
font=self.FONT,
bg='white',
width=30,
**self.BORDER)
self.tag_entry.grid(row=11,
column=1,
columnspan=3,
sticky='we',
padx=4,
pady=4)
self.win.bind('<Escape>', self.close)
self.setSuggest()
self.win.activate()
def setSuggest(self):
""" fill the submission with the suggestions"""
if self.suggest == {}:
return
if 'prj' in self.suggest.keys():
prj = self.suggest.pop('prj')
self.prj_pull.setvalue(prj)
self.prj_pull.invoke()
if 'exp' in self.suggest.keys():
exp = self.suggest.pop('exp')
self.exp_pull.setvalue(exp)
self.exp_pull.invoke()
if 'tag' in self.suggest.keys():
tag = self.suggest.pop('tag')
else:
tag = 'RESTARTED'
self.tag_entry.setvalue(tag)
class InteractionFilterWidget(rb.RaccoonDefaultWidget, DebugTools.DebugObj,
tk.Frame):
""" provide the interaction filter widget
with different types:
HBa
HBd
HB
Metal
vdW
Pi-stack
T-stack
Generic stack
checkbutton pulldown entry button (remove)
[x] | | [type..] | [ string ] [ x ]
"""
def __init__(self,
parent,
manager,
settings={},
color=None,
debug=False): #, destroy_cb):
self.color = '#bbff33'
self.color = color # differenciate filter types?
rb.RaccoonDefaultWidget.__init__(self, parent)
DebugTools.DebugObj.__init__(self, debug)
tk.Frame.__init__(self,
master=self.parent,
relief='raised',
bg=color,
**self.BORDER)
self.manager = manager
self._widgets = [self]
self.initIcons()
self.destroy_cb = None # destroy_cb
self.eventManager = self.manager.eventManager
#self.eventManager = eventManager
#self.event = RaccoonEvents.FilterSetSelection()
self.settings = settings
self.build()
self.setfilter()
# hack to have mouse wheel to work all the time
for w in self._widgets:
w.bind("<Button-4>", self.manager.mousescroll)
w.bind("<Button-5>", self.manager.mousescroll)
if hasattr(w, 'components'):
for c in w.components():
w.component(c).bind("<Button-4>", self.manager.mousescroll)
w.component(c).bind("<Button-5>", self.manager.mousescroll)
def build(self):
""" build the widgets"""
entry_width = 10
# types strings
self._notype = '< select type >'
self.stringToType = {
'HB donor': 'hbd',
'HB acceptor': 'hba',
'HB any': 'hb',
'Metal coord': 'metal',
'vdW contact': 'vdw',
'Pi-stacking': 'ppi', # XXX check this
'T-stacking': 'tpi', # XXX check this
'Any stacking': 'pi', # XXX check this
}
self.typeToString = {}
for k, v in self.stringToType.items():
self.typeToString[v] = k
# active checkbutton
self.active_var = tk.BooleanVar(value=False)
self.active = tk.Checkbutton(self,
variable=self.active_var,
bg=self.color,
command=self.trigger)
#self.active.pack(side='left', anchor='w', expand=0, fill='none')
# interaction type
self.typeChoice = OptionMenuFix(
self,
menubutton_font=self.FONT,
menubutton_bg=self.color,
menu_font=self.FONT,
menubutton_width=15,
menubutton_bd=1,
menubutton_highlightbackground='black',
menubutton_borderwidth=1,
menubutton_highlightcolor='black',
menubutton_highlightthickness=1,
menubutton_height=1,
command=self.trigger, # self.typeValidator, # self.trigger,
items=sorted(self.stringToType.keys()))
self.typeChoice.setvalue(self._notype)
self.typeChoice.pack(side='left',
anchor='w',
expand=1,
fill='x',
padx=3,
pady=1)
self._widgets.append(self.typeChoice)
# strings
f = tk.Frame(
self) # nested frames to have a decent alignment (Tk sucks(TM) )
ef = tk.Frame(f)
# chain
self.chain = Pmw.EntryField(
ef,
entry_font=self.FONT,
labelpos='n',
label_font=self.FONT,
label_text='chain',
hull_bg=self.color,
entry_width=4,
entry_justify='center',
entry_bd=1,
entry_highlightbackground='black',
entry_borderwidth=1,
entry_highlightcolor='black',
entry_highlightthickness=1,
)
self.chain.pack(side='left', anchor='n', expand=0, fill='x', padx=3)
self.chain.component('entry').bind('<Return>', self.return_cb)
self.chain.component('entry').bind('<Leave>', self.focusLeave_cb)
self._widgets.append(self.chain)
# residue
self.residue = Pmw.EntryField(
ef,
entry_font=self.FONT,
labelpos='n',
label_font=self.FONT,
label_text='residue',
hull_bg=self.color,
entry_width=entry_width,
entry_justify='center',
entry_highlightbackground='black',
entry_borderwidth=1,
entry_highlightcolor='black',
entry_highlightthickness=1,
)
self.residue.pack(side='left', anchor='n', expand=1, fill='x', padx=3)
self.residue.component('entry').bind('<Return>', self.return_cb)
self.residue.component('entry').bind('<Leave>', self.focusLeave_cb)
self._widgets.append(self.residue)
# atom
self.atom = Pmw.EntryField(
ef,
entry_font=self.FONT,
labelpos='n',
label_font=self.FONT,
label_text='atom',
hull_bg=self.color,
entry_width=entry_width,
entry_justify='center',
entry_highlightbackground='black',
entry_borderwidth=1,
entry_highlightcolor='black',
entry_highlightthickness=1,
)
self.atom.pack(side='left', anchor='n', expand=1, fill='x', padx=3)
self.atom.component('entry').bind('<Return>', self.return_cb)
self._widgets.append(self.atom)
s = tk.Frame(f, height=15)
s.pack(side='bottom', anchor='w', expand=1, fill='both')
ef.pack(side='top', anchor='w', expand=1, fill='x', padx=3)
f.pack(side='left', anchor='w', expand=1, fill='both')
self._widgets.append(s)
self._widgets.append(ef)
self._widgets.append(f)
# wanted/not wanted
self.wanted = True
self.wantedButton = tk.Button(self,
font=self.FONTbold,
image=self._ICON_filtoff,
relief='flat')
selmenu = [
None,
['wanted', 'normal', self.setPositive],
['not wanted', 'normal', self.setNegative],
['disable', 'normal', self.setOff],
]
menu = rb.RacMenu(self.wantedButton, selmenu, placement='under')
self.wantedButton.pack(side='left',
anchor='w',
expand=0,
fill='none',
padx=1,
pady=1)
self._widgets.append(self.wantedButton)
# destroy button
self.destruction = tk.Button(
self,
text="X",
image=self._ICON_del,
command=self.destroy,
bg=self.color,
relief='flat') #,width=22) #, **self.BORDER)
self.destruction.pack(side='left', anchor='w', expand=0, fill='none')
self._widgets.append(self.destruction)
def initIcons(self):
""" initialize the icons for the interface"""
icon_path = CADD.Raccoon2.ICONPATH
f = icon_path + os.sep + 'removeSmall.png'
f = icon_path + os.sep + 'removeSmallbw.png'
self._ICON_del = ImageTk.PhotoImage(Image.open(f))
f = icon_path + os.sep + 'filt_positive.png'
f = icon_path + os.sep + 'filt_positiveLight.png'
self._ICON_filtpos = ImageTk.PhotoImage(Image.open(f))
f = icon_path + os.sep + 'filt_negativeLight.png'
self._ICON_filtneg = ImageTk.PhotoImage(Image.open(f))
f = icon_path + os.sep + 'filt_inactiveLight.png'
self._ICON_filtoff = ImageTk.PhotoImage(Image.open(f))
def setPositive(self, event=None):
""" set the interaction to be wanted"""
self.wanted = True
self.wantedButton.configure(image=self._ICON_filtpos, text='A')
self.enable()
#self.trigger()
def setNegative(self, event=None):
""" set the interaction to be not wanted"""
self.wanted = False
self.wantedButton.configure(image=self._ICON_filtneg, text='R')
self.enable()
#self.trigger()
def setOff(self, event=None):
""" turn off the filter"""
self.wantedButton.configure(image=self._ICON_filtoff, text='R')
current = self.active_var.get()
self.active_var.set(False)
# the filter was active, it has been disabled
# so we need to send event for filterEngine to
# be triggered
if not self.active_var.get() == current:
self.sendEvent()
def return_cb(self, event=None):
""" function called when return is pressed
in the text fields
"""
if self.wanted == True:
self.setPositive()
else:
self.setNegative()
def focusLeave_cb(self, event=None):
""" trigger status check for entries
when they loose focus
Important when the filter has been alread
activated, then the user changes the text in the
field
"""
if not self.isActive():
return
self.entryValidator(quiet=False)
def isActive(self, event=None):
""" return if the filter is active"""
return self.active_var.get()
def disable(self, event=None):
""" disable the filter"""
self.active_var.set(False)
def enable(self, event=None, quiet=True):
""" enable the filter"""
self.active_var.set(True)
self.trigger(quiet=quiet)
def entryValidator(self, string=None, quiet=True):
""" validate the text entry field
"""
#if string == None:
# string = self.entry.getvalue()
chain = self.chain.getvalue().strip()
res = self.residue.getvalue().strip()
atom = self.atom.getvalue().strip()
if not chain and not res and not atom:
self.setOff()
if not quiet:
t = 'Interaction specification not valid'
i = 'error'
m = (
'The interaction must be defined by typing at '
'least a chain, residue or atom string.\n'
'Single character "?" and multi-character "*" wildcards can be used.'
)
tmb.showinfo(parent=self, title=t, icon=i, message=m)
return False
return True
def typeValidator(self, string=None, quiet=False):
""" validate type selection """
_type = self.typeChoice.getvalue()
if _type == self._notype:
if not quiet:
t = 'Filter type error'
i = 'warning'
m = ('An interaction type must be selected')
tmb.showinfo(parent=self, title=t, icon=i, message=m)
self.setOff()
return False
return True
def isvalid(self, quiet=True):
"""return if the entry is valid"""
typeCheck = self.typeValidator(quiet=quiet)
if not typeCheck: # or not self.isActive():
return
if not self.isActive():
return
entryCheck = self.entryValidator(quiet=quiet)
return (typeCheck and entryCheck)
def trigger(self, event=None, quiet=False):
""" command executed when the filter is activated"""
#curr_state = self.isActive() # active_var.get()
if not self.isvalid(quiet=quiet):
return
self.active_var.set(True)
self.sendEvent()
def sendEvent(self):
""" trigger the event"""
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def getType(self):
""" return interaction type"""
return self.stringToType[self.typeChoice.getvalue()]
def getPattern(self):
""" return interaction text pattern"""
c = self.chain.getvalue().strip()
r = self.residue.getvalue().strip()
a = self.atom.getvalue().strip()
if c == "": c = "*"
if r == "": r = "*"
if a == "": a = "*"
return "%s:%s:%s" % (c, r, a)
def setfilter(self, settings={}):
""" initialize filter with requested values"""
if settings == {}:
settings == self.settings
if settings == {}:
return
t = self.settings['type']
t = self.typeToString[t]
e = self.settings['patter']
self.typeChoice.setvalue(t)
self.entry.setvalue(e)
if self.isvalid(): self.active_var.set(True)
# FIXME set this to active?
#return { 'type' : t, 'pattern' : e }
def destroy(self, event=None):
""" remove itself from the list of filters
and unpack the widget
"""
t = 'Delete filter'
i = 'info'
m = ('Remove this filter?')
if self.isvalid():
if not tmb.askyesno(parent=self, title=t, message=m, icon=i):
return
self.destroy_cb()
def __init__(self, parent, update_cb=None, debug=False): #, destroy_cb):
rb.RaccoonDefaultWidget.__init__(self, parent)
DebugTools.DebugObj.__init__(self, debug)
Pmw.Group.__init__(self,
parent=parent,
tag_text='Target interactions',
tag_font=self.FONTbold,
ring_border=1,
ring_highlightcolor='black',
ring_highlightbackground='black',
ring_highlightthickness=1,
ring_relief='flat')
self.eventManager = RaccoonEvents.RaccoonEventManager()
self.eventManager.registerListener(
RaccoonEvents.FilterInteractionEvent, self.update)
self.initIcons()
self.filters = []
self.update_cb = update_cb
self.container = tk.Frame(
self.interior()) # this contains the widgets on the left
# build toolbar
self.toolbar = tk.Frame(self.container)
# add button
b = tk.Button(self.toolbar,
text='+',
image=self._ICON_add,
command=self.add,
**self.BORDER)
b.pack(anchor='w', side='left')
# remove button
b = tk.Button(self.toolbar,
text='-',
image=self._ICON_del,
**self.BORDER)
b.pack(anchor='w', side='left', padx=1)
selmenu = [
None,
['Remove inactive', 'normal', self.removeInactive],
['Remove all', 'normal', self.nuke],
]
menu = rb.RacMenu(b, selmenu, placement='under')
# selection button menu
b = tk.Button(self.toolbar,
text='s',
image=self._ICON_selmenu,
**self.BORDER)
b.pack(anchor='w', side='left', padx=0)
selmenu = [
None,
['Activate all', 'normal', self.setAllActive],
['Deactivate all', 'normal', self.setAllInactive],
['Invert active/inactive', 'normal', self.invertStatus],
]
menu = rb.RacMenu(b, selmenu, placement='under')
# mode pulldown
self._mode_choices = {'match all': 'all', 'match any': 'any'}
self.modeChoice = OptionMenuFix(
self.toolbar,
menubutton_font=self.FONT,
menu_font=self.FONT,
menubutton_width=10,
menubutton_bd=1,
menubutton_highlightbackground='black',
menubutton_borderwidth=1,
menubutton_highlightcolor='black',
menubutton_highlightthickness=1,
menubutton_height=1,
#command = self.trigger,
items=sorted(self._mode_choices.keys(), reverse=True),
)
f = tk.Frame(self.toolbar)
self.labelActiveFilt = tk.IntVar(value='0')
tk.Label(f, text='active filters:', font=self.FONT).pack(anchor='w',
side='left')
tk.Label(f, textvar=self.labelActiveFilt,
font=self.FONTbold).pack(anchor='w', side='left')
f.pack(anchor='w', side='left', padx=15)
self.modeChoice.pack(anchor='w', side='right', padx=1)
self.toolbar.pack(anchor='w',
side='top',
expand=1,
fill='x',
padx=4,
pady=2)
# build filter filtFrame
self.filtFrame = Pmw.ScrolledFrame(
self.container,
horizflex='expand', # vertflex='expand',
vscrollmode='static',
hscrollmode='dynamic')
#self.filtFrame.component('hull').configure(**self.BORDER)
self.filtFrame.component('clipper').configure(bg='white')
self.filtFrame.component('frame').configure(relief='flat', bg='white')
#self.filtFrame.component('vertscrollbar').bind("<Button-4>", self.mousescroll)
for c in [
'borderframe', 'clipper', 'frame', 'horizscrollbar', 'hull',
'vertscrollbar'
]:
self.filtFrame.component(c).bind("<Button-4>", self.mousescroll)
self.filtFrame.component(c).bind("<Button-5>", self.mousescroll)
self.interior().bind("<Button-4>", self.mousescroll)
self.interior().bind("<Button-5>", self.mousescroll)
self.filtFrame.pack(anchor='w',
side='top',
expand=1,
fill='both',
padx=4,
pady=2)
self.container.pack(anchor='w', side='left', expand=1, fill='both')
self.percentageFrame = tk.Frame(
self.interior()) # this contains the widgets on the right
# pie
self.pie = hf.PercentPie(self.percentageFrame, radius=50)
self.pie.pack(anchor='n', side='top', padx=5, pady=5)
#self.pie.set_percent(20)
# passed label
f = tk.Frame(self.percentageFrame)
tk.Label(f, text='passed :', font=self.FONTbold).pack(side='left',
anchor='w')
self.statusLabel = tk.Label(f,
text='0',
width=8,
anchor='w',
font=self.FONT)
self.statusLabel.pack(side='left', anchor='w')
f.pack(anchor='n', side='top')
#self.percentageFrame.pack(anchor='e',side='left', expand=1, fill='y')
self.percentageFrame.pack(expand=0, fill=None, anchor='e', side='left')
class InteractFiltManager(rb.RaccoonDefaultWidget, DebugTools.DebugObj,
Pmw.Group):
""" provide the interaction filters manager widget
"""
def __init__(self, parent, update_cb=None, debug=False): #, destroy_cb):
rb.RaccoonDefaultWidget.__init__(self, parent)
DebugTools.DebugObj.__init__(self, debug)
Pmw.Group.__init__(self,
parent=parent,
tag_text='Target interactions',
tag_font=self.FONTbold,
ring_border=1,
ring_highlightcolor='black',
ring_highlightbackground='black',
ring_highlightthickness=1,
ring_relief='flat')
self.eventManager = RaccoonEvents.RaccoonEventManager()
self.eventManager.registerListener(
RaccoonEvents.FilterInteractionEvent, self.update)
self.initIcons()
self.filters = []
self.update_cb = update_cb
self.container = tk.Frame(
self.interior()) # this contains the widgets on the left
# build toolbar
self.toolbar = tk.Frame(self.container)
# add button
b = tk.Button(self.toolbar,
text='+',
image=self._ICON_add,
command=self.add,
**self.BORDER)
b.pack(anchor='w', side='left')
# remove button
b = tk.Button(self.toolbar,
text='-',
image=self._ICON_del,
**self.BORDER)
b.pack(anchor='w', side='left', padx=1)
selmenu = [
None,
['Remove inactive', 'normal', self.removeInactive],
['Remove all', 'normal', self.nuke],
]
menu = rb.RacMenu(b, selmenu, placement='under')
# selection button menu
b = tk.Button(self.toolbar,
text='s',
image=self._ICON_selmenu,
**self.BORDER)
b.pack(anchor='w', side='left', padx=0)
selmenu = [
None,
['Activate all', 'normal', self.setAllActive],
['Deactivate all', 'normal', self.setAllInactive],
['Invert active/inactive', 'normal', self.invertStatus],
]
menu = rb.RacMenu(b, selmenu, placement='under')
# mode pulldown
self._mode_choices = {'match all': 'all', 'match any': 'any'}
self.modeChoice = OptionMenuFix(
self.toolbar,
menubutton_font=self.FONT,
menu_font=self.FONT,
menubutton_width=10,
menubutton_bd=1,
menubutton_highlightbackground='black',
menubutton_borderwidth=1,
menubutton_highlightcolor='black',
menubutton_highlightthickness=1,
menubutton_height=1,
#command = self.trigger,
items=sorted(self._mode_choices.keys(), reverse=True),
)
f = tk.Frame(self.toolbar)
self.labelActiveFilt = tk.IntVar(value='0')
tk.Label(f, text='active filters:', font=self.FONT).pack(anchor='w',
side='left')
tk.Label(f, textvar=self.labelActiveFilt,
font=self.FONTbold).pack(anchor='w', side='left')
f.pack(anchor='w', side='left', padx=15)
self.modeChoice.pack(anchor='w', side='right', padx=1)
self.toolbar.pack(anchor='w',
side='top',
expand=1,
fill='x',
padx=4,
pady=2)
# build filter filtFrame
self.filtFrame = Pmw.ScrolledFrame(
self.container,
horizflex='expand', # vertflex='expand',
vscrollmode='static',
hscrollmode='dynamic')
#self.filtFrame.component('hull').configure(**self.BORDER)
self.filtFrame.component('clipper').configure(bg='white')
self.filtFrame.component('frame').configure(relief='flat', bg='white')
#self.filtFrame.component('vertscrollbar').bind("<Button-4>", self.mousescroll)
for c in [
'borderframe', 'clipper', 'frame', 'horizscrollbar', 'hull',
'vertscrollbar'
]:
self.filtFrame.component(c).bind("<Button-4>", self.mousescroll)
self.filtFrame.component(c).bind("<Button-5>", self.mousescroll)
self.interior().bind("<Button-4>", self.mousescroll)
self.interior().bind("<Button-5>", self.mousescroll)
self.filtFrame.pack(anchor='w',
side='top',
expand=1,
fill='both',
padx=4,
pady=2)
self.container.pack(anchor='w', side='left', expand=1, fill='both')
self.percentageFrame = tk.Frame(
self.interior()) # this contains the widgets on the right
# pie
self.pie = hf.PercentPie(self.percentageFrame, radius=50)
self.pie.pack(anchor='n', side='top', padx=5, pady=5)
#self.pie.set_percent(20)
# passed label
f = tk.Frame(self.percentageFrame)
tk.Label(f, text='passed :', font=self.FONTbold).pack(side='left',
anchor='w')
self.statusLabel = tk.Label(f,
text='0',
width=8,
anchor='w',
font=self.FONT)
self.statusLabel.pack(side='left', anchor='w')
f.pack(anchor='n', side='top')
#self.percentageFrame.pack(anchor='e',side='left', expand=1, fill='y')
self.percentageFrame.pack(expand=0, fill=None, anchor='e', side='left')
def setpassed(self, count, percentage):
""" set the numerical value of
items that passed this filter
"""
self.statusLabel.configure(text=count)
self.pie.set_percent(percentage)
def setAllActive(self, event=None):
""" set all filters active"""
change = False
for o in self.filters:
if not o.isActive():
o.enable(quiet=True)
if o.isActive():
change = False
if change:
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def setAllInactive(self, event=None):
""" set all filters inactive"""
change = False
for o in self.filters:
if o.isActive():
o.disable()
change = True
if change:
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def invertStatus(self, event=None):
""" invert filter status"""
change = False
for o in self.filters:
if o.isActive():
o.disable()
change = True
else:
o.enable(quiet=True)
if o.isActive():
change = True
if change:
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def countActive(self, event=None):
""" update count label of active filters"""
c = 0
for o in self.filters:
if o.active_var.get():
c += 1
self.labelActiveFilt.set(c)
def mousescroll(self, event):
""" manage mousescroll events"""
if event.num == 5 or event.delta == -120:
self.filtFrame.yview(tk.SCROLL, +1, tk.UNITS)
if event.num == 4 or event.delta == 120:
self.filtFrame.yview(tk.SCROLL, -1, tk.UNITS)
def initIcons(self):
""" initialize the icons for the interface"""
icon_path = CADD.Raccoon2.ICONPATH
f = icon_path + os.sep + 'removeSmall.png'
self._ICON_del = ImageTk.PhotoImage(Image.open(f))
f = icon_path + os.sep + 'addSmall.png'
self._ICON_add = ImageTk.PhotoImage(Image.open(f))
f = icon_path + os.sep + 'select_menu.png'
self._ICON_selmenu = ImageTk.PhotoImage(Image.open(f))
def add(self, event=None, settings={}):
""" add a new filter widget
if settings is not empty, the new filter
will be initialized with the specified values
"""
f = InteractionFilterWidget(self.filtFrame.interior(),
manager=self,
settings=settings)
cb = CallbackFunction(self.destroy, f)
f.destroy_cb = cb
self.filters.append(f)
f.pack(anchor='w', side='top', padx=2, pady=1, expand=1, fill='x')
# NOTE no event when adding (empty filter!) nor when
# settings are restored, otherwise restoting a pre-saved
# set of multi-interaction settings will trigger
# a lot of filter updates (i.e. troubles, when many ligands
# are loaded.
# the function creating
# the filter (i.e. FiltSettingManager) should
# take care of populating all filters first
# *then* initial kick is given.
# trigger event # XXX no! it's empty
#if not settings == {}
# e = RaccoonEvents.FilterInteractionEvent()
# self.eventManager.dispatchEvent(e)
def nuke(self, event=None, quiet=False):
""" remove all the filters at once"""
if len(self.filters) == 0: return
if not quiet:
for o in self.filters:
if o.isActive():
t = 'Remove all filters'
i = 'info'
m = (
'All interaction filters are going to be removed.\n\nAre you sure?'
)
if not tmb.askyesno(
parent=self.interior(), title=t, message=m,
icon=i):
return
break
for o in self.filters:
o.pack_forget()
self.filters = []
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def removeInactive(self, event=None):
""" remove inactive filters"""
if len(self.filters) == 0: return
rem = []
for o in self.filters:
if not o.isActive():
o.pack_forget()
rem.append(o)
for o in rem:
self.filters.remove(o)
def destroy(self, obj, event=None):
""" remove a filter from the filters db
and destroy the widget
"""
obj.pack_forget()
self.filters.remove(obj)
e = RaccoonEvents.FilterInteractionEvent()
self.eventManager.dispatchEvent(e)
def getvalues(self, event=None):
""" return the dictionary of all filters and the mode"""
settings = {
'mode': self._mode_choices[self.modeChoice.getvalue()],
'pattern': {}
}
for o in self.filters:
if o.isActive():
otype = o.getType()
opatt = o.getPattern()
wanted = o.wanted
if not otype in settings['pattern'].keys():
settings['pattern'][otype] = []
self.dprint("iteractFilt[%s] = [%s][%s]" %
(otype, opatt, wanted))
settings['pattern'][otype].append((opatt, wanted))
return settings
def update(self, event=None):
""" when updating, fire this"""
self.countActive()
self.update_cb()
def build(self):
""" build the widgets"""
entry_width = 10
# types strings
self._notype = '< select type >'
self.stringToType = {
'HB donor': 'hbd',
'HB acceptor': 'hba',
'HB any': 'hb',
'Metal coord': 'metal',
'vdW contact': 'vdw',
'Pi-stacking': 'ppi', # XXX check this
'T-stacking': 'tpi', # XXX check this
'Any stacking': 'pi', # XXX check this
}
self.typeToString = {}
for k, v in self.stringToType.items():
self.typeToString[v] = k
# active checkbutton
self.active_var = tk.BooleanVar(value=False)
self.active = tk.Checkbutton(self,
variable=self.active_var,
bg=self.color,
command=self.trigger)
#self.active.pack(side='left', anchor='w', expand=0, fill='none')
# interaction type
self.typeChoice = OptionMenuFix(
self,
menubutton_font=self.FONT,
menubutton_bg=self.color,
menu_font=self.FONT,
menubutton_width=15,
menubutton_bd=1,
menubutton_highlightbackground='black',
menubutton_borderwidth=1,
menubutton_highlightcolor='black',
menubutton_highlightthickness=1,
menubutton_height=1,
command=self.trigger, # self.typeValidator, # self.trigger,
items=sorted(self.stringToType.keys()))
self.typeChoice.setvalue(self._notype)
self.typeChoice.pack(side='left',
anchor='w',
expand=1,
fill='x',
padx=3,
pady=1)
self._widgets.append(self.typeChoice)
# strings
f = tk.Frame(
self) # nested frames to have a decent alignment (Tk sucks(TM) )
ef = tk.Frame(f)
# chain
self.chain = Pmw.EntryField(
ef,
entry_font=self.FONT,
labelpos='n',
label_font=self.FONT,
label_text='chain',
hull_bg=self.color,
entry_width=4,
entry_justify='center',
entry_bd=1,
entry_highlightbackground='black',
entry_borderwidth=1,
entry_highlightcolor='black',
entry_highlightthickness=1,
)
self.chain.pack(side='left', anchor='n', expand=0, fill='x', padx=3)
self.chain.component('entry').bind('<Return>', self.return_cb)
self.chain.component('entry').bind('<Leave>', self.focusLeave_cb)
self._widgets.append(self.chain)
# residue
self.residue = Pmw.EntryField(
ef,
entry_font=self.FONT,
labelpos='n',
label_font=self.FONT,
label_text='residue',
hull_bg=self.color,
entry_width=entry_width,
entry_justify='center',
entry_highlightbackground='black',
entry_borderwidth=1,
entry_highlightcolor='black',
entry_highlightthickness=1,
)
self.residue.pack(side='left', anchor='n', expand=1, fill='x', padx=3)
self.residue.component('entry').bind('<Return>', self.return_cb)
self.residue.component('entry').bind('<Leave>', self.focusLeave_cb)
self._widgets.append(self.residue)
# atom
self.atom = Pmw.EntryField(
ef,
entry_font=self.FONT,
labelpos='n',
label_font=self.FONT,
label_text='atom',
hull_bg=self.color,
entry_width=entry_width,
entry_justify='center',
entry_highlightbackground='black',
entry_borderwidth=1,
entry_highlightcolor='black',
entry_highlightthickness=1,
)
self.atom.pack(side='left', anchor='n', expand=1, fill='x', padx=3)
self.atom.component('entry').bind('<Return>', self.return_cb)
self._widgets.append(self.atom)
s = tk.Frame(f, height=15)
s.pack(side='bottom', anchor='w', expand=1, fill='both')
ef.pack(side='top', anchor='w', expand=1, fill='x', padx=3)
f.pack(side='left', anchor='w', expand=1, fill='both')
self._widgets.append(s)
self._widgets.append(ef)
self._widgets.append(f)
# wanted/not wanted
self.wanted = True
self.wantedButton = tk.Button(self,
font=self.FONTbold,
image=self._ICON_filtoff,
relief='flat')
selmenu = [
None,
['wanted', 'normal', self.setPositive],
['not wanted', 'normal', self.setNegative],
['disable', 'normal', self.setOff],
]
menu = rb.RacMenu(self.wantedButton, selmenu, placement='under')
self.wantedButton.pack(side='left',
anchor='w',
expand=0,
fill='none',
padx=1,
pady=1)
self._widgets.append(self.wantedButton)
# destroy button
self.destruction = tk.Button(
self,
text="X",
image=self._ICON_del,
command=self.destroy,
bg=self.color,
relief='flat') #,width=22) #, **self.BORDER)
self.destruction.pack(side='left', anchor='w', expand=0, fill='none')
self._widgets.append(self.destruction)
