def openSaveDialog(self, title='Save Animation', fileext="_animation"):
dialog = Pmw.Dialog(self.master,
buttons=('OK', 'Cancel'),
defaultbutton='OK',
title=title)
dialog.withdraw()
savesession = Tkinter.IntVar()
savesession.set(1)
frame = dialog.interior()
checkb = Tkinter.Checkbutton(frame,
text="Save Pmv Session",
variable=savesession)
checkb.pack(side='top', anchor='w')
entry = Pmw.EntryField(frame, label_text="File name:", labelpos='w')
entry.pack(expand=1, fill='both', padx=4, pady=4, side='left')
self.balloon.bind(
entry,
"Enter a filename.\nfilename%s.py and filename_session.psf\nwill be created"
% (fileext, ))
button = Tkinter.Button(frame,
text="BROWSE",
command=CallbackFunction(
self.saveFileDialog_cb, entry, fileext))
button.pack(side='left')
ans = dialog.activate(
geometry='+%d+%d' %
(self.master.winfo_x() + 300, self.master.winfo_y() + 100))
filename = entry.get()
return ans, filename, savesession.get()
def set(self, column, value):
tree = self.tree()
col = tree.columns[column]
fill = col.buttonColors
val = self.chkbtval[column]
#print 'AAAAAAAA SET', col.name, value, val, len(self.chkbtid)
if value:
if val:
#tree.redraw()
return
val = self.chkbtval[column] = 1
else:
if not val:
#tree.redraw()
return
val = self.chkbtval[column] = 0
if len(self.chkbtid): # length==0 when node is not drawn
if self.chkbtid[column] and not col.showPercent:
tree.canvas.itemconfigure(self.chkbtid[column], fill=fill[val])
if col.commandType=='button' and val==1:
cb = CallbackFunction(self.resetButtons, column)
tree.master.after(100, cb)
if col.inherited:
tree.manageChildren(self, column)
def createColHeader(self, columnDescr, number):
cw = self.colWidth
x = self.treeWidth + (0.5*self.colWidth)
# add column background
if number%2:
_id = self.canvas.create_rectangle(
x+number*cw-cw/2, 0, x+number*cw+cw/2, 10000,
tags=('backgroundStripes',), fill='#EEEEEE', outline='#EEEEEE')
# add title and icon
_id = self.canvas.create_text(
x+number*cw, 7, text=columnDescr.title, justify='center',
tags=('ColHeaders',), fill=columnDescr.color, font=self.font)
cb = CallbackFunction(self.rightButtonClick, columnDescr)
self.canvas.tag_bind(_id, "<Button-3>", cb)
self.colLabIds.append(_id)
# add column header icons
if columnDescr.iconfile:
if columnDescr.icon is None:
columnDescr.getIcon(columnDescr.iconfile)
_id = self.canvas.create_image(
x+number*cw, 19,tags=('ColHeaders',),
image=columnDescr.icon)
self.colLabIds.append(_id)
def makewin(self):
""" """
self.win = Pmw.MegaToplevel(master = self.parent, title = 'Library Manager')
topbar = tk.Frame(self.win.interior())
tk.Label(topbar, text='Add files to create a new %s library...' % self._type, font=self.FONT,
compound='left', image = self._ICON_package).pack(anchor='w',side='left',pady=5, expand=1,fill='x')
topbar.pack(anchor='n', side='top',expand=0, fill='x',padx=5, pady=1)
### # settings button # XXX DISABLED
### b = tk.Button(left_tbar, image= self._ICON_sys, **self.BORDER)
### b.pack(anchor='n', side='top',expand=0, fill='x')
self.center = Pmw.Group(self.win.interior(), tag_text = 'Local files [ 0 ]', tag_font=self.FONTbold)
left_tbar = tk.Frame(self.center.interior())
b = tk.Button(left_tbar, text='', image=self._ICON_open, **self.BORDER)
b.pack(anchor='n', side='top',expand=0, fill='x')
addlig_items = [ ['Add ligands'],
['Import files...', 'normal', self.openfiles],
[],
['Scan directory...', 'normal', self.open_dirs],
['Scan directory (recursively)...', 'normal', self.open_dirs_recursive],
]
menu = rb.RacMenu(b, addlig_items, toolbar=left_tbar)
b = tk.Button(left_tbar, text='[X]', image=self._ICON_remove, **self.BORDER)
b.pack(anchor='n', side='top',expand=0, fill='x', pady=1)
addlig_items = [ ['Remove ligands'],
['Remove selected', 'normal', self.delete],
['Remove all', 'normal', self.delete_all],
]
menu = rb.RacMenu(b, addlig_items, toolbar=left_tbar)
left_tbar.pack(anchor='w', side='left', expand=0,fill='y',pady=2,padx=2)
self.fmanager = Pmw.ScrolledListBox(self.center.interior(), listbox_font=self.FONT,
listbox_selectmode='extended')
self.fmanager.pack(expand=1, fill='both', anchor='n', side='top',padx=2, pady=1)
delkey = CallbackFunction(self.delete, **{'nuke':False})
self.fmanager.component('listbox').bind('<Delete>', delkey)
#damjan begin
if not self.app.guse == None:
self.uploadButton = tk.Button(self.center.interior(), text='Prepare for gUSE', width=400,
image=self._ICON_upload, compound='left', command=self.prepare_ligands_for_guse,
font=self.FONT, state='disabled', **self.BORDER)
else:
self.uploadButton = tk.Button(self.center.interior(), text='Upload...', width=400,
image=self._ICON_upload, compound='left', command=self.ask_upload,
font=self.FONT, state='disabled', **self.BORDER)
#damjan end
self.uploadButton.pack(anchor='s', side='bottom', expand=0, fill='x',padx=2, pady=2)
self.center.pack(expand=1, fill='both', side='left',anchor='n',padx=3)
right = tk.Frame(self.win.interior())
b6 = tk.Button(right, text='Close', command=self.destroy, font=self.FONT, **self.BORDER)
b6.pack(anchor='s', side='bottom',expand=1,fill='x')
right.pack(anchor='e', side='bottom', expand=0, fill='y', pady=6,padx=5)
self.win.activate()
def openLoadDialog(self, title='Save Animation', fileext="_animation"):
dialog = Pmw.Dialog(self.master,
buttons=('OK', 'Cancel'),
defaultbutton='OK',
title=title)
dialog.withdraw()
frame = dialog.interior()
entry1 = Pmw.EntryField(frame,
label_text="Animation file:",
labelpos='w')
entry1.grid(row=0, column=0, padx=5, pady=5, sticky='w')
button1 = Tkinter.Button(frame, text="BROWSE")
button1.grid(row=0, column=1, padx=5, pady=5, sticky='w')
loadsession = Tkinter.IntVar()
loadsession.set(1)
checkb = Tkinter.Checkbutton(frame,
text="Load Pmv Session",
variable=loadsession)
checkb.grid(row=1, column=0, padx=5, pady=5, sticky='w')
entry2 = Pmw.EntryField(frame,
label_text="Session file:",
labelpos='w')
entry2.grid(row=2, column=0, padx=5, pady=5, sticky='w')
button2 = Tkinter.Button(frame, text="BROWSE")
button2.grid(row=2, column=1, padx=5, pady=5, sticky='w')
button1.configure(command=CallbackFunction(
self.openFileDialog_cb, entry1, entry2, title, fileext))
button2.configure(command=CallbackFunction(
self.openFileDialog_cb, entry2, entry1, title, fileext))
self.balloon.bind(entry1, "Enter path to the animation file.")
self.balloon.bind(entry2, "Enter path to the Pmv session file.")
ans = dialog.activate(
geometry='+%d+%d' %
(self.master.winfo_x() + 300, self.master.winfo_y() + 100))
animfile = entry1.get()
sessionfile = entry2.get()
return ans, animfile, sessionfile, loadsession.get()
def makeMAAButton(self, maa):
"""
Places a button into created Actions group
"""
assert isinstance(maa, MultipleActorsActions)
# add the maa
self.maas.append(maa)
master = self.createdActionsG.interior()
cb = CallbackFunction(self.runMaa, maa)
b = Tkinter.Button(master=master,
compound='left',
command=cb,
width=0,
height=0)
self.maaButtons.append(b)
if hasattr(maa, "shortName"):
shortName = maa.shortName
else:
shortName = maa.__class__.__name__
if not self.maaButtonNames.has_key(shortName):
self.maaButtonNames[shortName] = 1
count = self.maaButtonNames[shortName]
self.maaButtonNames[shortName] += 1
text = "%s%d" % (maa.shortName, count)
b.configure(text=text)
nbuttons = len(self.maas) - 1
row = nbuttons / 4
col = nbuttons % 4
b.grid(row=row, column=col, sticky='w')
#self.balloon.bind(b, maa.name)
# the balloon will display a string returned by maa.__repr__()
self.balloon.bind(b, maa)
b.bind('<Button-3>', CallbackFunction(self.maaMenu_cb, maa, b))
def __init__(self, pmv, master=None):
assert isinstance(pmv, MoleculeViewer)
from Pmv.GeomFilter import GeomFilter
self.gf = GeomFilter(pmv)
filterFunction = self.gf.filter
vi = pmv.GUI.VIEWER
kw = {
'showAll': False,
'filterFunction': filterFunction,
'refreshButton': True,
'showAllButton': True
}
gcOpt = [(), kw]
ShowHideGeomPanel.__init__(self,
vi,
'pmv.GUI.VIEWER',
GeomChooser,
gcOpt,
master=master)
self.lastRow += 1
# select 'All' entry by default
gc = self.geomChooser
gc.chooserW.lb.select_set(0)
self.selectedGeom = [[0], [vi.rootObject]]
frame = self.effectsContainer
# partial fade in button
cb = CallbackFunction(self.makeMAA, PartialFadeMolGeomsMAA, (gc, ),
{'pmv': pmv})
parent = self.makeActionsG.interior()
w = self.pfadeB = Tkinter.Button(parent,
text='Partial fade',
command=cb)
w.grid(column=0, row=self.lastRow, sticky='ew')
w.bind(
'<Button-3>',
CallbackFunction(self.showMaaEditor_cb, PartialFadeMolGeomsMAA, (),
{'pmv': pmv}))
def __init__(self, pmv, master=None):
assert isinstance(pmv, MoleculeViewer)
vi = pmv.GUI.VIEWER
self.pmv = pmv
AnimationPanel.__init__(self, vi, 'pmv.GUI.VIEWER', master)
gc = self.geomChooser = PmvGeomChooser(
pmv,
root=self.geomChooserG.interior(),
showAll=False,
refreshButton=True,
showAllButton=True,
command=self.onSelect_cb)
gc.pack(side='top', fill='both', expand=1, anchor="w")
# select 'All' entry by default
gc.chooserW.lb.select_set(0)
self.selectedGeom = [[0], [pmv.GUI.VIEWER.rootObject]]
# add action creating buttons
parent = self.makeActionsG.interior()
self.colorClips = {}
for lastRow, txt in enumerate(colorCmds.keys()):
#if txt == "choose color": continue
cb = CallbackFunction(self.makeMAA, PmvColorObjectMAA, (), {
'pmv': pmv,
'colortype': txt
})
w = Tkinter.Button(parent, text=txt, command=cb)
w.grid(column=0, row=lastRow, columnspan=2, sticky='ew')
w.bind(
'<Button-3>',
CallbackFunction(self.showMaaEditor_cb, PmvColorObjectMAA, (),
{
'pmv': pmv,
'colortype': txt
}))
self.lastRow = lastRow
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')
def displayValue(self):
"""Add things to the rigth side of the tree
"""
if len(self.chkbtVar)==0: return
master = self.tree.master
canvas = self.tree.scrolledCanvas.interior()
tree = self.tree
dx = self.x-self.tree.offx
level = dx/OFFSET
col = ['gray75', 'red', 'cyan', 'green', 'yellow']
for i in range(tree.nbColumns):
if not tree.colHasButtton(i, self.objectKey.__class__):
self.chkbt.append(None)
continue
v = self.chkbtVar[i]
cb = CallbackFunction(self.buttonClick, self, i )
button = Tkinter.Checkbutton(canvas, variable=v, command=cb,
padx=0, pady=0,
background=col[level-1],
activeforeground='pink')
self.chkbt.append(button)
cid = canvas.create_window( 20 + self.tree.offx + 175 + i*35,
self.y, window=button,
width=20, height=15)
self.canvasIDs.append(cid)
# add secondary structure glyph
molFrag = self.objectKey
if isinstance(molFrag, Residue):
if hasattr(molFrag, 'secondarystructure'):
ssname = molFrag.secondarystructure.name
if ssname[:6]=='Strand': color = '#FFF700'
elif ssname[:4]=='Coil': color = 'grey45'
elif ssname[:5]=='Helix': color = '#FF198C'
elif ssname[:4]=='Turn': color = 'blue'
cid = canvas.create_rectangle(
150 + self.tree.offx, self.y-10,
160 + self.tree.offx, self.y+10, outline=color,fill=color)
self.canvasIDs.append(cid)
cid = canvas.create_text( 162 + self.tree.offx,
self.y, text=ssname, anchor=Tkinter.W)
# fill=color)
self.canvasIDs.append(cid)
func = tree.buttonValFunc[i]
if func:
func(self)
def maaMenu_cb(self, maa, button, event=None):
"""
Opens the saved clip menu (right mouse click on the clip button)
"""
menu = Tkinter.Menu(self.master, title=maa.name)
## cb = CallbackFunction(_clipboard.addMaa, maa)
## menu.add_command(label="Add to Clipboard", command=cb)
from Scenario2 import addTargetsToMenu
addTargetsToMenu(menu, maa)
if maa.editorClass:
cb = CallbackFunction(self.editMAA_cb, maa, button)
menu.add_command(label="Edit ...", command=cb)
menu.add_command(label="Delete",
command=CallbackFunction(self.deleteMAA_cb, maa,
button))
menu.add_command(label="Dismiss menu")
menu.post(event.x_root, event.y_root)
def shiftButtonClick(self, column, event=None):
# get called for each checkbutton
tree = self.tree()
menu = self.menu
if menu.index(0) == 0: # there is something in the menu, remove it
menu.delete(0, 100)
for i, menuEntry in enumerate(tree.menuEntries[column]):
v = self.menuVars[column][i]
cb = CallbackFunction(self.menu_cb, column, menuEntry, i)
menu.add_checkbutton(label=menuEntry, variable=v, command=cb)
menu.post(event.x_root, event.y_root)
def createCheckbuttons(self, object):
# get menu button
if isinstance(object, Geom): menuB = self.animObjMenuB
elif isinstance(object, Camera): menuB = self.animCamMenuB
elif isinstance(object, Light): menuB = self.animLightMenuB
elif isinstance(object, ClippingPlane): menuB = self.animClipMenuB
else:
print 'no menu button for object:', object, object.__class__
return
# clear menu's content
menuB.menu.delete(0, 'end')
# get list of properties
p1 = object.animatableProps[0].keys()
p1.sort()
propnames = p1
#p2 = object.animatableProps[1].keys()
#p2.sort()
#propnames = p1+p2
# get dict of currently animated properties for this object
#aprop = object.animatedProperties
aprop = self.animatedProperties
for i, name in enumerate(propnames):
var = Tkinter.IntVar()
actorname = getActorName(object, name)
if aprop.has_key(actorname):
var.set(1)
aprop[actorname].guiVar = var
cb = CallbackFunction( self.toggleAnimatePropVar, name, var, object)
menuB.menu.add_checkbutton(
label=name, command=cb, variable = var)
menuB.menu.add_separator()
cb = CallbackFunction(self.actorFromFile_cb, propnames, object)
menuB.menu.add_command(
label="Create Actor From File", command=cb)
def selectColor(self, event=None):
colNum = self.colorVar.get()
hcol = self.colors[colNum]
rgb = int(hcol[1:3], 16), int(hcol[3:5], 16), int(hcol[5:7], 16)
col = [x / 255. for x in rgb]
if colNum > 47: # custom color
self.ce.pack(side='right', fill='both', expand=1)
if self.currentEditingCB:
self.ce.cbManager.RemoveCallback(self.currentEditingCB)
cb = CallbackFunction(self.editCustom, custColNum=colNum - 48)
self.ce.cbManager.AddCallback(cb)
self.ce.set(col, trigger=0)
self.currentEditingCB = cb
else:
self.ce.pack_forget()
self.cbManager.CallCallbacks(col)
def makeInterfaceSsh(self):
""" """
bset = {
'bg': '#969b9d'
} # 'width' : 22, 'height': 22, 'relief' : 'raised'}
bset = {}
bset.update(self.BORDER)
self.resetFrame()
self.recGroup = Pmw.Group(self.frame,
tag_text='Accepted structures [ 0 ]',
tag_font=self.FONTbold)
# toolbar
toolb = tk.Frame(self.recGroup.interior())
if self.sysarch == 'Windows':
bwidth = 54
else:
bwidth = 32
###### add button
# make button
b = tk.Button(toolb,
text='Add...',
compound='top',
image=self._ICON_add,
width=bwidth,
font=self.FONTbold,
**bset)
b.pack(anchor='n', side='top')
# make menu items
addrec_items = [
['Add receptors'],
['Import files...', 'normal', self.openfiles],
[],
['Scan directory...', 'normal', self.opendir],
[
'Scan directory (recursively)...', 'normal',
self.opendir_recursive
],
# [],
# ['Select structure from history...', 'normal', self.opendir],
]
# make menu
menu = rb.RacMenu(b, addrec_items, toolbar=toolb)
###### add button
# make button
b = tk.Button(toolb,
text='Remove...',
compound='top',
image=self._ICON_rem,
width=bwidth,
font=self.FONTbold,
**bset)
b.pack(anchor='n', side='top', pady=1)
# make menu items
addrec_items = [
['Remove receptors'],
['Remove selected', 'normal', self.deletefiles],
['Remove all', 'normal', self.deleteallfiles],
]
# make menu
menu = rb.RacMenu(b, addrec_items, toolbar=toolb)
#
#tk.Button(toolb, text='Settings\n&\nAlignment...', compound='top', image = self._ICON_sys, width=32,
# font=self.FONTbold, **bset ).pack(anchor='n', side='top',pady=1)
toolb.pack(side='left', anchor='w', expand=0, fill='y', pady=0)
# files manager
self.recFileManager = TkTreectrl.ScrolledMultiListbox(
self.recGroup.interior(), bd=2)
self.recFileManager.listbox.config(
bg='white',
fg='black',
font=self.FONT,
columns=('name', 'chains', 'res.', 'flex_res', 'atom types',
'unk.types', 'filename'),
selectmode='extended',
)
delkey = CallbackFunction(self.deletefiles, {'nuke': False})
self.recFileManager.listbox.bind('<Delete>', delkey)
self.recFileManager.pack(anchor='w',
side='left',
expand=1,
fill='both')
self.recGroup.pack(anchor='n', side='top', expand=1, fill='both')
self.frame.pack(expand=1, fill='both', anchor='n', side='top')
def tagBind(self):
self.canvas.bind("<Motion>", self.OnCanvas)
lid = self.canvas.find_withtag("line_"+self.uniqueId)
for i in lid:
cb = CallbackFunction(self.OnLine,i)
self.canvas.tag_bind(i,"<Motion>",cb)
def run_upload(self, name, dirname, remotepath, comment=None):
""" """
# self.run_upload(name = libname, dirname = dirname, remotepath = remotepath)
def _go(event=None):
#server.debug = True
#libobj.debug= True
self.app.setBusy()
if comment:
libobj.info['comment'] = comment
libobj.upload( dirname, remotepath, autoregister=0, bg = True)
self.RUNNING = True
self._stopclosebutton.configure(text= 'Stop', command=stop)
status = server.transfer.progress(percent=1)
while status < 100.:
if server.transfer._STOP: break
status = server.transfer.progress(percent=1)
pc_var.set(status)
self.bar.update()
time.sleep(0.2)
self.RUNNING = False
libobj.debug = True # DEBUG
if server.transfer._status['completed']:
# EVENT trigger the event refresh of server list
#idxfile = remotepath + '/'+ dirname +'/'+'library.db'
#idxfile = 'library.db'
self._statuslab1.configure(text='Generating index file')
self._statuslab2.configure(text='...saving...')
libobj.saveIndex()
self._statuslab1.configure(text='Registering library to Library Index')
self._statuslab2.configure(text='...ongoing...')
libobj.register()
self._statuslab1.configure(text='\nLibrary upload completed!')
self._statuslab2.configure(text=' ')
del self._ligand_list[:]
self.delete(nuke=True)
e = RaccoonEvents.ServerConnection()
self.app.eventManager.dispatchEvent(e)
else:
error = server.transfer_status['error']
self._statuslab1.configure(text='Error trasnferring files!')
self._statuslab2.configure(text=error)
self._stopclosebutton.configure(text= 'Close', command=forceclose)
self.app.setReady()
def close(event=None):
if event == None:
#print "probably clicking on the corner..."
return
win.destroy()
def stop(event=None):
t = 'Stop transfer'
m = 'The transfer is incomplete: do you want to stop it?'
if not tmb.askyesno(parent = win.interior(), title=t, message=m):
return
server.transfer.stop()
self._stopclosebutton.configure(text= 'Close', command=close)
forceclose = CallbackFunction(close, True)
## print ">> adding ligands to lib object"
# threaded files scanning...
server = self.app.server
libobj = RaccoonLibraries.LigandLibrary( server, name = name )
libobj.options['split'] = 1000
func = libobj.addLigands
func_kwargs = {'ligands' : self._ligand_list }
m = ('Extracting ligand properties...' )
self.app.setBusy()
progressWin = rb.ProgressDialogWindowTk(parent = self.parent,
function = func, func_kwargs = func_kwargs,
title ='Ligand library', message = m,
operation = 'ligand properties extraction',
image = self._ICON_open, autoclose=True,
progresstype='percent')
progressWin.start()
problematic = progressWin.getResults()
if problematic == None: problematic = [] # normalize data structure
self.app.setReady()
#if response == None:
#libobj.addLigands(self._ligand_list) # XXX TODO FIXME
win = Pmw.MegaToplevel(master = self.win.interior(), title = 'Library manager')
win.userdeletefunc(close)
win.component('hull').configure(width=600, height=400)
fullpath = remotepath + '/' + dirname
self._statuslab1 = tk.Label(win.interior(), text = 'Transferring files...', font=self.FONTbold)
self._statuslab1.pack(expand=0, fill='x', anchor='w', side='top')
self._statuslab2 = tk.Label(win.interior(), text = 'Destination: %s' % fullpath, font=self.FONT)
self._statuslab2.pack(expand=0, fill='x', anchor='w', side='top')
pc_var = tk.DoubleVar(value=0.)
self.bar = hf.ProgressBar(win.interior(), pc_var)
self.bar.pack(expand=0, fill='none', anchor='n', side='top',padx=5, pady=3)
tk.Frame(win.interior(),height=2,width=1,bd=1,relief='sunken').pack(expand=0, fill='x', anchor='w', side='top')
self._stopclosebutton = tk.Button(win.interior(), text='STOP', font=self.FONT)
self._stopclosebutton.pack(expand=0, fill='none', anchor='s', side='bottom')
win.interior().after(50, _go)
win.activate() # geometry='centerscreenalways' )
def loadStyles(self):
# find the location fo the styles directory
import Image, ImageTk
from Pmv import styles
path = styles.__path__[0]
from glob import glob
styleFiles = glob(os.path.join(path, "*_style.py"))
styleFiles.sort()
self.styleRow = self.styleCol = 0
inside = self.stylesScrolledFrame.interior()
self.styles = {}
currentx = 0
currenty = 0
border = 1
for sfile in styleFiles:
# import the function
name = os.path.basename(sfile)[:-9]
modpath = 'Pmv.styles.' + name + '_style'
mod = __import__(modpath, {}, {}, ['*'])
styleObj = Style(name, mod.applyStyle, mod.numberOfMolecules,
mod.__doc__)
self.styles[name] = styleObj
photoIcon = ImageTk.PhotoImage(
file=os.path.join(path, name + '_icon.png'))
cb = CallbackFunction(self.applyStyle, styleObj)
b = Tkinter.Button(inside,
compound='left',
image=photoIcon,
command=cb)
b.photo = photoIcon
width = b.photo.width()
height = b.photo.height()
b.place(x=currentx, y=currenty, width=width, height=height)
textw = Tkinter.Label(inside, text=name, justify='left')
textw.place(x=width + border, y=currenty)
textw.update() # to allow label to appear and size to be correct
currenty += max(textw.winfo_height(), height + border)
# bind callback to display large version
photo = ImageTk.PhotoImage(file=os.path.join(path, name + '.png'))
cb = CallbackFunction(self.showLargeImage, photo, mod.__doc__)
b.bind('<Enter>', cb)
b.bind('<Motion>', self.move_cb)
b.bind('<Leave>', self.leave_cb)
b.photo1 = photo
#self.balloon.bind(b, mod.__doc__)
#print 'adding style', name, currenty, self.styleRow,self.styleCol
if self.styleCol == 3:
self.styleCol = 0
self.styleRow = self.styleRow + 1
else:
self.styleCol = self.styleCol + 1
def drawNodeCustomization(self, x, y):
"""
Add things to the rigth side of the tree
"""
tree = self.tree()
canvas = tree.canvas
level = 2
col = ['gray75', 'red', 'cyan', 'green', 'yellow']
nbButtons = tree.nbCol
x = tree.treeWidth
# create Tk variables if needed
if len(self.chkbtid)==0:
nbButtons = tree.nbCol
self.chkbtid = [None]*nbButtons
i = 0
cw = tree.colWidth
for i, val in enumerate(self.chkbtval):
col = tree.columns[i]
if self.object.__class__ in col.objClassHasNoButton:
continue
xo = x+i*cw
cw2 = cw/2
midx = xo+cw2
midy = y + tree.fontSize/2 + 2
cid1 = None
color = col.color
width = 1
if self.buttonType=='OnOffButtons' and not col.onOnly:
# overrides col.commandType and put 2 buttons for on off
#uniq = '%d_%d'%(midx,midy)
cid = canvas.create_oval(
midx-cw2+1, midy-cw2+1, midx+1, midy+1, outline='#3D8E54',
width=width, fill='#44A05E', tags=('on','button'))
canvas.addtag_withtag(str(cid), cid)
if col.cbOn is None:
cb1 = CallbackFunction(self.onOffButtonClick, i, 1)
else:
cb1 = CallbackFunction(col.cbOn, self, i, 1)
cb2 = CallbackFunction(col.optMenu_cb, self, i)
balloon = col.onButtonBalloon%(self.object.name)
cid1 = canvas.create_oval(
midx-1, midy-1, midx+cw2-1, midy+cw2-1, outline='#B52121',
width=width, fill='#E2282D', tags=('off','button'))
canvas.addtag_withtag(str(cid1), cid1)
if col.cbOff is None:
cb1_1 = CallbackFunction(self.onOffButtonClick, i, 0 )
else:
cb1_1 = CallbackFunction(col.cbOff, self, i, 0)
cb2_1 = None
balloon1 = col.offButtonBalloon%(self.object.name)
else:
shape = col.buttonShape
sx2 = cw/2-2
sy2 = tree.fontSize/2
fill = col.buttonColors
from MolKit.listSet import ListSet
if shape=='circle':
sy2 = min(sx2, sy2)
if col.showPercent: fillCol = fill[0]
else: fillCol = fill[val]
cid = canvas.create_oval(
midx-sx2, midy-sy2, midx+sx2, midy+sy2, outline=color,
width=width, fill=fillCol, tags=('button',))
if col.showPercent and not isinstance(self.object, ListSet):
if hasattr(self.object,col.showPercent):
extent = getattr(self.object,col.showPercent)*360
if extent>0.0:
#print 'YES', self.object.name, col.showPercent, extent
if extent==360.:
# special case full disc as sometimes
# extent 360 shows nothing
cid1 = canvas.create_oval(
midx-sx2, midy-sy2, midx+sx2, midy+sy2,
fill=fill[1], outline='',
tags=('button',))
self.chkbtval[i] = 1
else:
cid1 = canvas.create_arc(
midx-sx2, midy-sy2, midx+sx2, midy+sy2,
extent=-extent, fill=fill[1],
outline='', tags=('button',))
self.chkbtval[i] = 0
else:
self.chkbtval[i] = 0
elif shape=='oval':
cid = canvas.create_oval(
midx-dx, midy-dx, midx+dx, midy+dy, outline=color,
width=width, fill=fill[val], tags=('button',))
elif shape=='square':
dx = min(sx2, sy2)
cid = canvas.create_rectangle(
midx-dx, midy-dx, midx+dx, midy+dy, outline=color,
width=width, tags=('button',))# fill=fill[val])
elif shape=='downTriangle':
cid = canvas.create_polygon(
midx-sx2, midy-sy2, midx+sx2, midy-sy2,
midx, midy+sy2, midx-sx2, midy-sy2,
outline=color, width=width, fill=fill[val],
tags=('button',))
elif shape=='rectangle':
if col.showPercent: fillCol = fill[0]
else: fillCol = fill[val]
cid = canvas.create_rectangle(
midx-sx2, midy-sy2, midx+sx2, midy+sy2, outline=color,
width=width, fill=fillCol, tags=('button',))
if col.showPercent and not isinstance(self.object, ListSet):
if hasattr(self.object,col.showPercent):
extent = getattr(self.object, col.showPercent)
#print 'Redraw 1', self.object, extent
if extent>0.0:
cid1 = canvas.create_rectangle(
midx-sx2+1, midy+sy2,
midx+sx2-1, midy-sy2+2*sy2*(1.-extent),
fill=fill[1], outline='', tags=('button',))
self.chkbtval[i] = int(extent)
else:
self.chkbtval[i] = 0
elif shape=='diamond':
hw = sx2
hh = sy2
cid = canvas.create_polygon(
midx, midy-sy, midx+sx, midy,
midx, midy+sy, midx-sx, midy, midx, midy-sy,
fill=fill[val], width=width, outline=color,
tags=('button',))
if cid1:
cb1_1 = CallbackFunction(self.buttonClick, i )
cb2_1 = CallbackFunction(col.optMenu_cb, self, i )
balloon1 = col.buttonBalloon%(self.object.full_name())
if col.cbOn is None:
cb1 = CallbackFunction(self.buttonClick, i )
else:
cb1 = CallbackFunction(col.cbOn, self, i, 1)
if col.cbOff is None:
cb2 = CallbackFunction(col.optMenu_cb, self, i )
else:
cb2 = CallbackFunction(col.cbOff, self, i, 0)
balloon = col.buttonBalloon%(self.object.full_name())
if cid1:
canvas.tag_raise(cid1)
canvas.tag_bind(cid1, "<ButtonRelease-1>", cb1_1)
if cb2_1: canvas.tag_bind(cid1, "<ButtonRelease-3>", cb2_1)
tree.balloon.tagbind(canvas, cid1, balloon1)
self.canvasIDs.append(cid1)
self.chkbtid[i] = cid1
canvas.tag_bind(cid, "<ButtonRelease-1>", cb1)
canvas.tag_bind(cid, "<ButtonRelease-3>", cb2)
tree.balloon.tagbind(canvas, cid, balloon)
self.canvasIDs.append(cid)
self.chkbtid[i] = cid
nodeHeight = tree.nodeHeight
## MS 09/10 this is molecular stuff, should not be in mglutil
# add secondary structure glyph
molFrag = self.object
if isinstance(molFrag, Residue):
if hasattr(molFrag, 'secondarystructure'):
ssname = molFrag.secondarystructure.name
if ssname[:6]=='Strand': color = '#FFFC6D'
elif ssname[:4]=='Coil': color = 'grey45'
elif ssname[:5]=='Helix': color = '#FF198C'
elif ssname[:4]=='Turn': color = 'blue'
#tw = tree.treeWidth
tw = self.nodeStartX
cid = canvas.create_rectangle(
tw-20, y, tw-10, y+nodeHeight, outline=color,
fill=color)
self.canvasIDs.append(cid)
tree.balloon.tagbind(canvas, cid, ssname)
cb = CallbackFunction(self.toggleResSelection,
molFrag.secondarystructure.residues)
canvas.tag_bind(cid, "<ButtonRelease-1>", cb)
#cid = canvas.create_text( 152, y, text=ssname, anchor='nw')
# self.canvasIDs.append(cid)
return x + (i*cw)
def setCallback(self, column, pmvcmd, iconName=None, balloonText=None,
name='command', function=None, bValFunc=None):
"""define a callback for the checkbuttons in a given column.
pmvcmd is the Pmv command to run in the callback associated with the
checkbuttons and used to get default values using the 'default form.
name is a string describing the command in that column, defaults to cmd.name
iconName is the name of the icon to be used for the button
balloonText is the tooltip, defaults to name.
function is an option callback to override the default callback.
It gets called with (node, column, pmvcmd)
"""
assert column<1000
def callback(node, column):
# default call back
# search for button because some commands do not have
# buttons at all levels
while node and not node.chkbt[column]:
node = node.parent
if node is None: return
# get Pmv's command default arguments
pmvcmd = node.tree.pmvcmd[column]
defaultValues = pmvcmd.getLastUsedValues()
# handle negate key to reflect state of checkbutton
val = node.chkbtVar[column].get()
if defaultValues.has_key('negate'):
defaultValues['negate'] = not val
defaultValues['callListener'] = False
# apply the command at each level of the current selection
for obj in node.getObjects(column):
apply( pmvcmd, (obj,), defaultValues)
if pmvcmd.lastUsedValues['default'].has_key('callListener'):
del pmvcmd.lastUsedValues['default']['callListener']
if function is None:
function = callback
self.callbacks[column] = function
self.buttonValFunc[column] = bValFunc
if name is None:
if hasattr(function, 'name'):
name = function.name
self.names[column] = name
self.pmvcmd[column] = pmvcmd
if balloonText is None:
balloonText = name
self.balloonText[column] = balloonText
if iconName:
iconfile = os.path.join(self.ICONDIR, iconName)
image = Image.open(iconfile)
im = ImageTk.PhotoImage(image=image, master=self.master)
self.iconList[column] = im
v = Tkinter.IntVar()
cb = CallbackFunction(self.editColumn, column)
button = Tkinter.Checkbutton(
self.master, variable=v, command=cb, height=32, width=32,
indicatoron=0, image=im)
self.colHeaderButtons[column] = button
self.colHeaderTkVars[column] = v
cid = self.canvasHeaderCol.create_window(
20 + self.offx + 175 + column*35, 32, window=button,
width=40, height=40, anchor='center')
self.balloons.bind(button, self.balloonText[column])
else:
cid = self.canvasHeaderCol.create_text(
20 + self.offx + 175 + column*35, 5, text=name, anchor='n')
def makeInterface(self):
""" create interface for ssh """
self.resetFrame()
colors = { 'center_x' : '#ff3333',
'center_y' : 'green',
'center_z' : '#00aaff',
'size_x' : '#ff3333',
'size_y' : 'green',
'size_z' : '#0099ff',
}
frame_set = { 'ring_bd' : 1, 'ring_highlightbackground' :'black', 'ring_borderwidth' : 2,
'ring_highlightcolor' : 'black', 'ring_highlightthickness' : 1, 'ring_relief' : 'flat',
'groupchildsite_bg':'white', 'groupchildsite_relief':'sunken','ring_bg':'white',
'tag_bd' : '1', 'tag_highlightbackground' :'black', 'tag_borderwidth':2,
'tag_highlightcolor' : 'black', 'tag_highlightthickness': 1}
frame_set = { 'ring_bd' : 1, 'ring_highlightbackground' :'black', 'ring_borderwidth' : 2,
'ring_highlightcolor' : 'black', 'ring_highlightthickness' : 1, 'ring_relief' : 'flat'}
frame_set = {}
bset = { 'bg' : '#95bed5', 'width' : 22, 'height': 22, 'relief' : 'raised'}
bset = { 'bg' : '#2e363b', 'width' : 22, 'height': 22, 'relief' : 'raised'}
bset = { 'bg' : '#a6abae', 'width' : 22, 'height': 22, 'relief' : 'raised'}
bset = { 'bg' : '#969b9d' } # 'width' : 22, 'height': 22, 'relief' : 'raised'}
bset = {}
bset.update(self.BORDER)
# left frame
lframe = tk.Frame(self.frame)
# button tollbar
tk.Frame(lframe, height=7).pack(expand=0, fill='x', padx=0, pady=0, side='top', anchor='n')
# minispacer
bframe = tk.Frame(lframe)
b = tk.Button(bframe, text='Load...', command = self.openConfig, image= self._ICON_open, compound='left',
height=14,**bset)
b.pack(expand=1,fill='x', anchor='w', side='left',padx=1)
b.pack(expand=1,fill='x', anchor='w', side='left',padx=1)
bframe.pack(expand=0, fill='x', padx=0, pady=0, side='top', anchor='n')
########################## center wheels
self._thumbw_array = []
c_group = Pmw.Group(lframe, tag_text='Center', tag_font=self.FONTbold, **frame_set)
for lab in ['center_x', 'center_y', 'center_z']:
cb = CallbackFunction(self.setWheelBox, lab)
tw = ThumbWheel(
c_group.interior(), labCfg={'text':lab, 'side':'left','fg':colors[lab],
'bg':'black', 'width':9 }, showLabel=1,
width=90, height=14, type=float, value=0.0,
callback=cb, continuous=True,
oneTurn=5, wheelPad=0)
tw.pack(side='top', pady=2,anchor='n')
self._thumbw_array.append(tw)
c_group.pack(side='top', anchor='n', expand=0,fill='x',ipadx=2,ipady=3, padx=1)
########################## size wheels
s_group = Pmw.Group(lframe, tag_text='Size', tag_font=self.FONTbold, **frame_set)
for lab in ['size_x', 'size_y', 'size_z']:
cb = CallbackFunction(self.setWheelBox, lab)
tw = ThumbWheel(
s_group.interior(), labCfg={'text':lab, 'side':'left','fg':colors[lab],
'bg':'black', 'width':9 }, showLabel=1,
width=90, height=14, type=float, value=0.0, min=0.0001,
callback=cb, continuous=True,
oneTurn=5, wheelPad=0)
tw.pack(side='top', pady=2,anchor='n')
self._thumbw_array.append(tw)
s_group.pack(side='top', anchor='n', expand=0,fill='x',ipadx=2,ipady=3, padx=1,pady=2)
########################## search settings
self.searchparmgroup = Pmw.Group(lframe, tag_text='Search parameters', tag_font=self.FONTbold, **frame_set)
# autodock search parms
self.buildSearchADPanel(target = self.searchparmgroup )
# vina search parms
self.buildSearchVinaPanel(target = self.searchparmgroup )
self.searchparmgroup.pack(side='top', anchor='n', expand=0,fill='x',ipadx=2,ipady=3, padx=1,pady=5)
########################## Receptors
self._receptors_group = Pmw.Group(lframe, tag_text='Receptor list', tag_font=self.FONTbold,collapsedsize=3, **frame_set)
# important
self.receptorListbox = Pmw.ScrolledListBox(self._receptors_group.interior(), listbox_highlightbackground = 'black',
# selectioncommand=self.loadreceptor,
listbox_selectbackground='yellow')
self.receptorListbox.pack(expand=1, fill='both',padx=3, pady=0)
self.receptorListbox.component('listbox').bind('<ButtonRelease-1>', self.loadreceptor)
self.receptorListbox.component('listbox').bind('<Button-3>', self._delreceptor)
tb = tk.Frame(self._receptors_group.interior())
# single-multi load buttons
self.recLoaderMode_single = tk.Radiobutton(tb, text='Single', image = self._ICON_single, indicatoron=False,
variable=self.recLoaderMultiMode, value = False, compound='left', height=16, **bset)
self.recLoaderMode_single.pack(anchor='n', side='left',pady=1,expand=1,fill='x',padx=1)
self.recLoaderMode_multi = tk.Radiobutton(tb, text='Multi', image = self._ICON_multi, indicatoron=False,
variable=self.recLoaderMultiMode, value = True, compound='left', height=16, **bset)
self.recLoaderMode_multi.pack(anchor='n', side='left',pady=1,expand=1,fill='x',padx=1)
tb.pack(expand=0, fill='x',anchor='s',side='bottom',padx=3)
self._receptors_group.pack(side='bottom', anchor='n', expand=1, fill='both',ipadx=4,ipady=4, padx=1,pady=0)
lframe.pack(side = 'left', anchor='n', expand='n', fill='y', padx=0, pady=0)
###### 3D Viewer
rframe = tk.Frame(self.frame)
spacer = tk.Frame(rframe, width=5) #, bg='red')
spacer.pack(expand=0,fill='y',side='left',anchor='w')
spacer.pack_propagate(0)
vgroup = Pmw.Group(rframe, tag_text = '3D viewer', tag_font=self.FONTbold,groupchildsite_bg='black', **frame_set)
# TOOLBAR
vtoolbar = tk.Frame(vgroup.interior())
vtoolbar.pack(side='left', anchor='w', expand=0, fill='y')
cb = CallbackFunction(self.centerView, None)
tk.Button(vtoolbar, text='Center\nall', image = self._ICON_center_all, width=22, height=22,
command=cb, **bset).pack(anchor='n', side='top')
cb = CallbackFunction(self.centerView, 'mol')
tk.Button(vtoolbar, text='Center\nmol', image = self._ICON_center_mol, width=22, height=22,
command=cb, **bset ).pack(anchor='n', side='top')
cb = CallbackFunction(self.centerView, 'box')
tk.Button(vtoolbar, text='Center\nbox', image = self._ICON_center_box, width=22, height=22,
command=cb, **bset ).pack(anchor='n', side='top',pady=1)
# 3d Viewer settings XXX TODO
#tk.Button(vtoolbar, text='Settings', image = self._ICON_sys, width=22, height=22, **bset).pack(anchor='n', side='top')
vgroup.pack(side='right', anchor='e', expand=1, fill='both', padx=0, pady=0)
# 3D viewer
self.make3Dboxviewer(vgroup.interior())
rframe.pack(side = 'right', anchor='n', expand=1, fill='both',padx=0, pady=0)
if self.app.dockengine == 'vina':
self.setSearchParmsVina()
elif self.app.dockengine == 'autodock':
self.setSearchParmsAD()
self.frame.pack(expand=1, fill='both',anchor='n', side='top')
def drawNodeCustomization(self, x, y):
"""Add things to the rigth side of the tree
"""
tree = self.tree()
canvas = tree.canvas
level = 2
col = ['gray75', 'red', 'cyan', 'green', 'yellow']
nbButtons = 10
## if not hasattr(self, 'chkbt'):
## self.chkbtVar = []
## self.chkbt = []
## for i in range(nbButtons):
## v = IntVar()
## self.chkbtVar.append(v)
## cb = CallbackFunction(self.buttonClick, i )
## button = Checkbutton(
## canvas, variable=v, command=cb, padx=0, pady=0,
## background=col[level-1], anchor='nw')
## self.chkbt.append(button)
x = 150
fill = ['white', 'green']
if not hasattr(self, 'chkbt'):
nbButtons = tree.nbCol
self.chkbt = [0] * nbButtons
self.chkbtid = [None] * nbButtons
# create a pull down menu and allocate variables for each column
self.menu = Menu(canvas, title='Choose', tearoff=False)
self.menuVars = [] # list of [column][menu entries] IntVar
for i, entries in enumerate(tree.menuEntries):
l = []
for j in range(len(entries)):
l.append(IntVar())
self.menuVars.append(l) # a list for each column
for i, val in enumerate(self.chkbt):
xo = x + i * 35
cid = canvas.create_oval(xo,
y,
xo + 15,
y + 15,
fill=fill[val])
cb = CallbackFunction(self.buttonClick, i)
canvas.tag_bind(cid, "<Button-1>", cb)
cb = CallbackFunction(self.shiftButtonClick, i)
canvas.tag_bind(cid, "<Shift-Button-1>", cb)
self.chkbtid[i] = cid
self.canvasIDs.append(cid)
## button = self.chkbt[i]
## cid = canvas.create_window( x+i*35, y, window=button,
## width=20, height=15)
## self.canvasIDs.append(cid)
# add secondary structure glyph
molFrag = self.object
if isinstance(molFrag, Residue):
if hasattr(molFrag, 'secondarystructure'):
ssname = molFrag.secondarystructure.name
if ssname[:6] == 'Strand': color = '#FFF700'
elif ssname[:4] == 'Coil': color = 'grey45'
elif ssname[:5] == 'Helix': color = '#FF198C'
elif ssname[:4] == 'Turn': color = 'blue'
cid = canvas.create_rectangle(130,
y - 10,
140,
y + 10,
outline=color,
fill=color)
self.canvasIDs.append(cid)
cid = canvas.create_text(152,
y,
text=ssname,
anchor='nw',
font=self.tree.font)
self.canvasIDs.append(cid)
return x + i * 35
def flash(self, nbfIn=5, nbfOut=25, fullPause=200):
self.fadeIn(nbf=nbfIn)
cb = CallbackFunction(self.fadeOut, nbf=nbfOut)
self.viewer.master.after(fullPause, self.fadeOut)
def __init__(self,
viewer,
viewerName,
geomChooserClass,
geomChooserClassOpt,
master=None):
"""
viewer is a DejaVu Viewer instance
viewerName is a string which when evaluated yields viewer
geomChooserClass is class defining the geomChooser object to create
geomChooserClassOpt is a sequence or *args and **kw used to create the
geomChooser. (viewer,) is automatically inserted at the begining of
args and 'root', and 'command' are automatically set in kw.
other possible kw include 'filterFunction', 'refreshButton',
'showAllButton'
"""
AnimationPanel.__init__(self, viewer, viewerName, master)
args, kw = geomChooserClassOpt
kw['root'] = self.geomChooserG.interior()
kw['command'] = self.onSelect_cb
args = (viewer, ) + args
gc = self.geomChooser = geomChooserClass(*args, **kw)
gc.pack(side='top', fill='both', expand=1, anchor="w")
self.selectedGeom = None
# add action creating buttons
lastRow = 0
parent = self.makeActionsG.interior()
# fly in button
cb = CallbackFunction(self.makeMAA, FlyInObjectMAA, (), {})
w = self.flyinB = Tkinter.Button(parent, text='Fly In', command=cb)
w.grid(column=0, row=lastRow, sticky='ew')
w.bind('<Button-3>',
CallbackFunction(self.showMaaEditor_cb, FlyInObjectMAA, (), {}))
# fly out button
cb = CallbackFunction(self.makeMAA, FlyOutObjectMAA, (), {})
w = self.flyoutB = Tkinter.Button(parent, text='Fly Out', command=cb)
w.grid(column=1, row=lastRow, sticky='ew')
w.bind(
'<Button-3>',
CallbackFunction(self.showMaaEditor_cb, FlyOutObjectMAA, (), {}))
lastRow += 1
# fade in button
cb = CallbackFunction(self.makeMAA, FadeInObjectMAA, (), {})
w = self.fadeinB = Tkinter.Button(parent, text='Fade In', command=cb)
w.bind(
'<Button-3>',
CallbackFunction(self.showMaaEditor_cb, FadeInObjectMAA, (), {}))
w.grid(column=0, row=lastRow, sticky='ew')
# fade out button
cb = CallbackFunction(self.makeMAA, FadeOutObjectMAA, (), {})
w = self.fadeoutB = Tkinter.Button(parent, text='Fade Out', command=cb)
w.bind(
'<Button-3>',
CallbackFunction(self.showMaaEditor_cb, FadeOutObjectMAA, (), {}))
w.grid(column=1, row=lastRow, sticky='ew')
lastRow += 1
# show button
cb = CallbackFunction(self.makeMAA, VisibleObjectMAA, (),
{'visible': 1})
w = self.showB = Tkinter.Button(parent, text='Show', command=cb)
w.grid(column=0, row=lastRow, sticky='ew')
# hide button
cb = CallbackFunction(self.makeMAA, VisibleObjectMAA, (),
{'visible': 0})
w = self.hideB = Tkinter.Button(parent, text='Hide', command=cb)
w.grid(column=1, row=lastRow, sticky='ew')
lastRow += 1
# rotation button
cb = CallbackFunction(self.makeMAA, RotationMAA, (), {})
w = self.rotationB = Tkinter.Button(parent, text='Rotate', command=cb)
w.grid(column=0, row=lastRow, sticky='ew')
w.bind('<Button-3>',
CallbackFunction(self.showMaaEditor_cb, RotationMAA, (), {}))
# rock button
cb = CallbackFunction(self.makeMAA, RockMAA, (), {})
w = self.rockB = Tkinter.Button(parent, text='Rock', command=cb)
w.grid(column=1, row=lastRow, sticky='ew')
w.bind('<Button-3>',
CallbackFunction(self.showMaaEditor_cb, RockMAA, (), {}))
lastRow += 1
self.lastRow = lastRow
def buildGUI(self):
tree = self.tree
if tree.pmvcmd[self.column]:
b = Tkinter.Button(self.root, command=self.getOpt, height=32,
width=32, image=tree.iconList[self.column])
b.grid(row=0, column=0, sticky='e')
tree.optionButton = Tkinter.Button(
self.root, text='Set default Options for command',
command=self.getOpt)
tree.optionButton.grid(row=0, column=1, sticky='w')
tree.balloons.bind(tree.optionButton, self.optionHelp)
self.bbmodevar = Tkinter.StringVar()
self.bbmodevar.set("All")
bbmode_menu = Pmw.OptionMenu(
self.root, labelpos='w', label_text='Protein:',
menubutton_textvariable=self.bbmodevar,
items=['Backbone', 'Sidechain', 'Sidechains+CA', 'All'],
menubutton_width=8, command=self.bbmode_cb,
)
bbmode_menu.grid(row=0, column=2, sticky='ew', padx=10, pady=10)
tree.balloons.bind(bbmode_menu, tree.proteinHelp)
self.chainedPanelVar = Tkinter.IntVar()
w = Pmw.Group(self.root,
tag_pyclass = Tkinter.Checkbutton,
tag_text='show command chaining interface',
tag_variable=self.chainedPanelVar,
tag_foreground='blue')
self.chainedPanelVar.set(0)
w.toggle()
self.chainedPanelGroup = w
def toggle(event=None):
self.chainedPanelGroup.toggle()
if self.chainedPanelVar.get():
self.chainedPanelGroup.configure(
tag_text='hide command chaining interface',
tag_foreground='blue')
else:
self.chainedPanelGroup.configure(
tag_text='show command chaining interface',
tag_foreground='blue')
w.configure(tag_command = toggle)
# tag_text='Check commands to run after %s:'%\
# tree.names[self.column])
w.grid(row=1, column=0, columnspan=3, sticky='ew', padx=5, pady=5)
tree.balloons.bind(w, self.chainHelp)
groupMaster = w.interior()
# add argument option menu
## self.argVar = Tkinter.StringVar()
## self.argOptMenu = Pmw.OptionMenu(
## groupMaster, labelpos = 'w',
## label_text = 'Argument to be used passed to chained command:',
## menubutton_textvariable = self.argVar,
## items = ['N/A', 'True', 'False', 'Same', 'Opposite'],
## menubutton_width = 10,
## )
## self.argOptMenu.grid(row=0, column=0, columnspan=4)
column1 = Tkinter.Frame(groupMaster)
column2 = Tkinter.Frame(groupMaster)
self.chainVars = []
self.chainWhenVars = []
self.chainArgVars = []
self.chainProtVars = []
chainList = tree.chainWith[self.column]
col = -1
halfLength = int(round(tree.nbColumns*0.5))
for i in range(tree.nbColumns):
row=(i% halfLength)+1
if row==1:
col += 4
master = Tkinter.Frame(groupMaster, relief='ridge')
l = Tkinter.Label(master, text='Cmd:')
l.grid(row=0, column=col-3)
l = Tkinter.Label(
master, text='Call when cmd\nbutton is:')
l.grid(row=0, column=col-2)
l = Tkinter.Label(master, text='Set chained\ncmd button to:')
l.grid(row=0, column=col-1)
l = Tkinter.Label(master, text='Apply to:')
l.grid(row=0, column=col)
master.pack(side='left', padx=10, anchor='n')
v = Tkinter.IntVar()
self.chainVars.append(v)
whenVar = Tkinter.StringVar()
whenVar.set('Checked')
self.chainWhenVars.append(whenVar)
argVar = Tkinter.StringVar()
argVar.set('Same')
self.chainArgVars.append(argVar)
protVar = Tkinter.StringVar()
protVar.set('All')
self.chainProtVars.append(protVar)
status = 'normal'
if i==self.column:
status = 'disabled'
v.set(0)
elif chainList[i]:
run, arg, prot = chainList[i]
v.set(1)
whenVar.set(run)
argVar.set(arg)
protVar.set(prot)
else:
v.set(0)
cb = CallbackFunction(self.setChain, i)
if tree.iconList[i]:
b = Tkinter.Checkbutton(master, variable=v, state=status,
command=cb, height=32, width=32,
indicatoron=0, image=tree.iconList[i])
else:
l = Tkinter.Label(master, state=status,
text=tree.names[i].replace('\n', ' '))
l.grid(column=4*col-3, row=row, sticky='e')
b = Tkinter.Checkbutton(master, variable=v, state=status,
command=cb)
b.grid(column=col-3, row=row, sticky='w')
tree.balloons.bind(b, tree.balloonText[i])
argMenuCall = Pmw.OptionMenu(
master, labelpos = 'w',
menubutton_textvariable = whenVar,
items = ['Checked', 'Unchecked', 'Always'],
menubutton_width = 7, command=cb
)
argMenuCall.grid(column=col-2, row=row, sticky='w')
tree.balloons.bind(argMenuCall, self.callWhenHelp)
argMenuVar = Pmw.OptionMenu(
master, labelpos = 'w',
menubutton_textvariable = argVar,
items = ['True', 'False', 'Same', 'Opposite'],
menubutton_width = 6, command=cb
)
argMenuVar.grid(column=col-1, row=row, sticky='w')
tree.balloons.bind(argMenuVar, self.argHelp)
argMenuVar = Pmw.OptionMenu(
master, labelpos = 'w',
menubutton_textvariable = protVar,
items = ['All', 'Backbone', 'Sidechain+CA', 'Sidechain'],
menubutton_width = 10, command=cb
)
argMenuVar.grid(column=col, row=row, sticky='w')
tree.balloons.bind(argMenuVar, tree.proteinHelp)
if self.editable:
pass
#cmdList = ['select', 'displayLines', 'displaySticksAndBalls',
# 'displayCPK', 'displayExtrudedSS', 'displayMSMS',
# 'LabelAtoms', 'LabelResidues', '', ]
self.OK = Tkinter.Button(self.root, text='OK',
command=tree.colHeaderButtons[self.column].invoke)
self.OK.grid(row=2, column=0, columnspan=3, sticky='ew')
def setGuseResource(self):
self._buildjobscrollbar()
self.resetFrame()
self.group = Pmw.Group(self.frame,
tag_text='gUSE submission requirements',
tag_font=self.FONTbold)
f = self.group.interior()
#f.configure(bg='red')
lwidth = 20
rwidth = 60
lbg = '#ffffff'
rbg = '#ff8888'
fg = 'black'
# ligands
tk.Label(f, text='Ligands', width=lwidth, font=self.FONT,
anchor='e').grid(row=3, column=1, sticky='e', padx=5, pady=1)
self.reqLig = tk.Label(f,
text='[ click to select ]',
fg=fg,
bg=rbg,
width=rwidth,
font=self.FONT,
**self.BORDER)
self.reqLig.grid(row=3, column=2, sticky='w', pady=1)
cb = CallbackFunction(self.switchtab, 'Ligands')
self.reqLig.bind('<Button-1>', cb)
# receptor
tk.Label(f, text='Receptors', width=lwidth, font=self.FONT,
anchor='e').grid(row=5, column=1, sticky='e', padx=5, pady=0)
self.reqRec = tk.Label(f,
text='[ click to select ]',
fg=fg,
bg=rbg,
width=rwidth,
font=self.FONT,
**self.BORDER)
self.reqRec.grid(row=5, column=2, sticky='w')
cb = CallbackFunction(self.switchtab, 'Receptors')
self.reqRec.bind('<Button-1>', cb)
# config
tk.Label(f, text='Config', width=lwidth, font=self.FONT,
anchor='e').grid(row=7, column=1, sticky='e', padx=5, pady=1)
self.reqConf = tk.Label(f,
text='[ click to select ]',
fg=fg,
bg=rbg,
width=rwidth,
font=self.FONT,
**self.BORDER)
self.reqConf.grid(row=7, column=2, sticky='w', pady=1)
cb = CallbackFunction(self.switchtab, 'Config')
self.reqConf.bind('<Button-1>', cb)
# submission
self.SubmitButton = tk.Button(f,
text='Submit...',
image=self._ICON_submit,
font=self.FONT,
compound='left',
state='normal',
command=self.submit,
**self.BORDER)
self.SubmitButton.grid(row=20,
column=1,
sticky='we',
columnspan=3,
padx=4,
pady=3)
self.group.pack(fill='none', side='top', anchor='w', ipadx=5, ipady=5)
self.frame.pack(expand=0, fill='x', anchor='n')
self._updateRequirementsGuse()
def setClusterResource(self):
self._buildjobman(self.parent)
self.resetFrame()
#self.frame.configure(bg='red')
self.group = Pmw.Group(self.frame,
tag_text='Cluster submission requirements',
tag_font=self.FONTbold)
f = self.group.interior()
#f.configure(bg='red')
lwidth = 20
rwidth = 60
lbg = '#ffffff'
rbg = '#ff8888'
fg = 'black'
# server connection
tk.Label(f, text='Server', width=lwidth, font=self.FONT,
anchor='e').grid(row=1, column=1, sticky='e', padx=5, pady=0)
self.reqConn = tk.Label(f,
text='[ click to connect ]',
fg=fg,
bg=rbg,
width=rwidth,
font=self.FONT,
**self.BORDER)
self.reqConn.grid(row=1, column=2, sticky='e')
cb = CallbackFunction(self.switchtab, 'Setup')
self.reqConn.bind('<Button-1>', cb)
# XXX self.GUI_LigStatus.bind('<Button-1>', lambda x : self.notebook.selectpage('Ligands'))
# docking service
# ligands
tk.Label(f,
text='Docking service',
width=lwidth,
font=self.FONT,
anchor='e').grid(row=2, column=1, sticky='e', padx=5, pady=1)
self.reqService = tk.Label(f,
text='[ click to select ]',
fg=fg,
bg=rbg,
width=rwidth,
font=self.FONT,
**self.BORDER)
self.reqService.grid(row=2, column=2, sticky='w', pady=1)
cb = CallbackFunction(self.switchtab, 'Setup')
self.reqService.bind('<Button-1>', cb)
# ligands
tk.Label(f, text='Ligands', width=lwidth, font=self.FONT,
anchor='e').grid(row=3, column=1, sticky='e', padx=5, pady=1)
self.reqLig = tk.Label(f,
text='[ click to select ]',
fg=fg,
bg=rbg,
width=rwidth,
font=self.FONT,
**self.BORDER)
self.reqLig.grid(row=3, column=2, sticky='w', pady=1)
cb = CallbackFunction(self.switchtab, 'Ligands')
self.reqLig.bind('<Button-1>', cb)
# receptor
tk.Label(f, text='Receptors', width=lwidth, font=self.FONT,
anchor='e').grid(row=5, column=1, sticky='e', padx=5, pady=0)
self.reqRec = tk.Label(f,
text='[ click to select ]',
fg=fg,
bg=rbg,
width=rwidth,
font=self.FONT,
**self.BORDER)
self.reqRec.grid(row=5, column=2, sticky='w')
cb = CallbackFunction(self.switchtab, 'Receptors')
self.reqRec.bind('<Button-1>', cb)
# config
tk.Label(f, text='Config', width=lwidth, font=self.FONT,
anchor='e').grid(row=7, column=1, sticky='e', padx=5, pady=1)
self.reqConf = tk.Label(f,
text='[ click to select ]',
fg=fg,
bg=rbg,
width=rwidth,
font=self.FONT,
**self.BORDER)
self.reqConf.grid(row=7, column=2, sticky='w', pady=1)
cb = CallbackFunction(self.switchtab, 'Config')
self.reqConf.bind('<Button-1>', cb)
# scheduler
#tk.Label(f, text='Scheduler', width=lwidth, font=self.FONT,anchor='e').grid(row=9, column=1,sticky='e',padx=5, pady=0)
#self.reqSched = tk.Label(f, text = '[ click to select ]', fg = fg, bg=rbg, width=rwidth, font=self.FONT, **self.BORDER)
#self.reqSched.grid(row=9,column=2, sticky='w')
#cb = CallbackFunction(self.switchtab, 'Setup')
#self.reqSched.bind('<Button-1>', cb)
# submission
self.SubmitButton = tk.Button(f,
text='Submit...',
image=self._ICON_submit,
font=self.FONT,
compound='left',
state='disabled',
command=self.submit,
**self.BORDER)
self.SubmitButton.grid(row=20,
column=1,
sticky='we',
columnspan=3,
padx=4,
pady=3)
self.group.pack(fill='none', side='top', anchor='w', ipadx=5, ipady=5)
self.frame.pack(expand=0, fill='x', anchor='n')
self._updateRequirementsSsh()
def onAddCmdToViewer(self):
if not self.vf.hasGui: return
self.vf.browseCommands('displayCommands', package='Pmv', log=0)
self.vf.browseCommands('secondaryStructureCommands', package='Pmv',
log=0)
self.hasMSMS = True
try:
import mslib
self.vf.browseCommands('msmsCommands', package='Pmv', log=0)
except:
self.hasMSMS = False
self.vf.browseCommands('colorCommands', package='Pmv', log=0)
self.vf.browseCommands('labelCommands', package='Pmv', log=0)
self.vf.browseCommands('selectionCommands', package='Pmv', log=0)
# register intrest in other commands
self.vf.cmdsWithOnRun[self.vf.showMolecules] = [self]
self.vf.cmdsWithOnRun[self.vf.select] = [self]
self.vf.cmdsWithOnRun[self.vf.clearSelection] = [self]
self.vf.cmdsWithOnRun[self.vf.displayLines] = [self]
self.vf.cmdsWithOnRun[self.vf.displaySticksAndBalls] = [self]
self.vf.cmdsWithOnRun[self.vf.displayCPK] = [self]
self.vf.cmdsWithOnRun[self.vf.displayExtrudedSS] = [self]
if self.hasMSMS:
self.vf.cmdsWithOnRun[self.vf.displayMSMS] = [self]
self.vf.cmdsWithOnRun[self.vf.labelByProperty] = [self]
self.vf.cmdsWithOnRun[self.vf.colorByAtomType] = [self]
self.vf.cmdsWithOnRun[self.vf.colorByChains] = [self]
self.vf.cmdsWithOnRun[self.vf.colorByMolecules] = [self]
self.vf.cmdsWithOnRun[self.vf.colorBySecondaryStructure] = [self]
self.vf.cmdsWithOnRun[self.vf.colorAtomsUsingDG] = [self]
self.vf.cmdsWithOnRun[self.vf.colorByResidueType] = [self]
from Pmv.moleculeViewer import DeleteAtomsEvent, AddAtomsEvent
self.vf.registerListener(DeleteAtomsEvent, self.handleDeleteEvents)
self.vf.registerListener(AddAtomsEvent, self.handleAddEvents)
# build the tree
master = Tkinter.Toplevel()
master.withdraw()
master.protocol('WM_DELETE_WINDOW',self.hide)
self.tree = tvolist = TreeViewWithCheckbuttons(
name='Control Panel',
displayValue=True, # needed to show buttons
multi_choice=True,
master = master,
offy=0, offx=0)
self.tree.sets = self.vf.sets
self.msmsDefaultValues = {} #cache used to decide if we re-compute
# custom call back function for display MSMS column
def displayMS_cb(node, column):
val = node.chkbtVar[column].get()
defaultValues = node.tree.pmvcmd[column].getLastUsedValues()
oldDefaultValues = self.msmsDefaultValues
recompute = False
if len(oldDefaultValues)==0:
recompute=True
else:
for k,v in oldDefaultValues.items():
nv = defaultValues.get(k, None)
if nv!=v:
recompute=True
break
molat = {}
for obj in node.getObjects(column):
molecules, atmSets = self.vf.getNodesByMolecule(obj, Atom)
for mol, atoms in zip(molecules, atmSets):
if molat.has_key(mol):
molat[mol] += atoms
else:
molat[mol] = atoms
for mol, atoms in molat.items():
if not mol.geomContainer.geoms.has_key('MSMS-MOL'):
recompute=True
if len(defaultValues):
if defaultValues['perMol']==0 and val:
recompute=True
if type(defaultValues['surfName'])==types.TupleType:
defaultValues['surfName']=defaultValues['surfName'][0]
if recompute:
apply( self.vf.computeMSMS, (atoms,), defaultValues)
else:
pmvcmd = self.vf.displayMSMS
defaultValues['callListener'] = False
pmvcmd(atoms, negate= not val, callListener=False)
if pmvcmd.lastUsedValues['default'].has_key('callListener'):
del pmvcmd.lastUsedValues['default']['callListener']
if recompute:
self.msmsDefaultValues.update(defaultValues)
def label_cb(node, column, level=Atom, property=['name']):
val = node.chkbtVar[column].get()
for obj in node.getObjects(column):
nodes = obj.findType(level)
pmvcmd = self.vf.labelByProperty
pmvcmd(nodes, negate=not val, callListener=False,
properties=property)
if pmvcmd.lastUsedValues['default'].has_key('callListener'):
del pmvcmd.lastUsedValues['default']['callListener']
# self.labelByProperty("1crn::;", textcolor=(1.0, 1.0, 1.0,), log=0, format=None, only=0, location='Center', negate=0, font='Helvetica12', properties=['name'])
# custom callback for color commands which runs command only if
# button is checked
def color_cb(node, column):
val = node.chkbtVar[column].get()
cmd = node.tree.pmvcmd[column]
if val:
for obj in node.getObjects(column):
apply( cmd, (obj,), {'callListener':False})
if cmd.lastUsedValues['default'].has_key('callListener'):
del pmvcmd.lastUsedValues['default']['callListener']
else:
if node.selected:
for node in self.tree.list_selected:
node.chkbtVar[column].set(0)
def showHideVal(node):
if node.name == 'All':
return
mols = [node.objectKey.top]
vis = 0
for m in mols:
n = self.tree.objToNode[m]
v = m.geomContainer.geoms['master'].visible
if v:
vis = 1
n.chkbtVar[0].set(v)
#print node.name, vis hum not sure why the following line does not work
self.tree.roots[0].chkbtVar[0].set(vis)
col = 0
tvolist.setCallback(col, self.vf.showMolecules, 'eye.png',
'show/Hide molecule', bValFunc=showHideVal)
col += 1
tvolist.setCallback(col, self.vf.select,'select.png',
'select molecular fragment')
col += 1
tvolist.setCallback(col, self.vf.displayLines, 'lines.png',
'Display/Undisplay Lines representation',
'Display Lines')
col += 1
tvolist.setCallback(col, self.vf.displaySticksAndBalls, 'sb.png',
'Display/Undisplay atoms as small spheres and bonds as cylinders',
'Display Sticks and Balls')
col += 1
tvolist.setCallback(col, self.vf.displayCPK, 'cpk.png',
'Display/Undisplay atoms as spheres',
'Display CPK')
col += 1
tvolist.setCallback(col, self.vf.displayExtrudedSS, 'ss.png',
'Display/Undisplay secondary structure',
'Display Ribbon', )
if self.hasMSMS:
col += 1
tvolist.setCallback(col, self.vf.computeMSMS, 'ms.png',
'Compute and display molecular surface',
'Display molecular surface',
displayMS_cb)
col += 1
cb = CallbackFunction( label_cb, level=Atom)
tvolist.setCallback(col, None, 'labelAtom.png', 'Label atoms',
'Label Atoms', cb)
col += 1
cb = CallbackFunction( label_cb, level=Residue)
tvolist.setCallback(col, None, 'labelRes.png', 'label Residues',
'Label Residues', cb)
col += 1
tvolist.setCallback(col, self.vf.colorByAtomType, 'colorAtom.png',
'Color all representations by atoms type',
'Color by Atom Type', color_cb)
col += 1
tvolist.setCallback(col, self.vf.colorByChains, 'colorChain.png',
'Color all representations by chain',
'Color by Chain', color_cb)
col += 1
tvolist.setCallback(col, self.vf.colorByMolecules, 'colorMol.png',
'Color all representations by molecule',
'Color by Molecule', color_cb)
col += 1
tvolist.setCallback(col, self.vf.colorBySecondaryStructure,
'colorSS.png',
'Color all representations by secondary structure element type',
'Color by Secondary Structure', color_cb)
col += 1
tvolist.setCallback(col, self.vf.colorAtomsUsingDG, 'colorDG.png',
'Color using the David Goodsell scheme\nin which atoms are either neutral,\nor slightly or strongly charged', 'Color by D. Goodsell', color_cb)
col += 1
tvolist.setCallback(col, self.vf.colorByResidueType, 'colorRes.png',
'Color all representations by residue\nusing the RASMOL coloring scheme',
'color Residues by Rasmol', color_cb)
#col += 1
#tvolist.setCallback(col, self.vf.colorResiduesUsingShapely, ....
# 'color\nby\nShapely')
# add current molecules
n = NodeWithCheckbuttons
hasChildren = len(self.vf.Mols)>0
node = tvolist.addNode('All', parent=None, object=self.vf.Mols,
nodeClass=n, hasChildren=hasChildren)
node.createTkVar(self.tree.nbColumns)
def createCanvas(self, master):
height = self.height
width = self.width
cd = {
'width': width,
'height': height,
'relief': 'sunken',
'borderwidth': 0,
'bg': 'white'
}
#'bg':'grey70'}
cd.update(self.canvasCfg)
canvas = self.canvas = Tkinter.Canvas(self, **cd)
self.canvas.configure(cursor='sb_h_double_arrow')
self.bw = bw = cd['borderwidth']
# create the background polygon between the cursors
# bb of poly is (0, 0, 200, 16)
lp1 = canvas.create_rectangle(
1 + bw,
1 + bw,
width + bw - 1,
height + bw,
fill='SteelBlue1',
outline='black',
#fill='#0081FF', outline='black',
tags=('poly', ))
# create left cursor (light upper left line)
## bb for 'leftl is (0,0,20,16)
lc1 = canvas.create_line(2 + bw,
height + bw - 1,
2 + bw,
2 + bw,
18 + bw,
2 + bw,
fill='white',
width=1,
tags=('left', ))
# create a polygon filling the cursor
lp1 = canvas.create_rectangle(bw + 3,
bw + 3,
17 + bw,
height + bw - 2,
fill='grey75',
outline='grey75',
tags=('left', ),
width=1)
# create left cursor (dark lower rigth line)
lc2 = canvas.create_line(18 + bw,
2 + bw,
18 + bw,
height + bw - 1,
2 + bw,
height + bw - 1,
width=1,
fill='black',
tags=('left', ))
# create a letter in the cursor
ll1 = canvas.create_text(bw + 11,
1 + bw + self.height / 2,
text=unicode(u"\u25B6"),
font=self.FONTsmall,
tags=('left', ))
self.leftOrigBB = canvas.bbox('left')
# create right cursor (light upper left line)
rc1 = canvas.create_line(2 + bw,
height + bw - 1,
2 + bw,
2 + bw,
18 + bw,
2 + bw,
fill='white',
tags=('right', ))
# create a polygon filling the cursor
rp1 = canvas.create_rectangle(bw + 3,
bw + 3,
17 + bw,
height + bw - 2,
fill='grey75',
outline='grey75',
tags=('right', ))
# create right cursor (dark lower rigth line)
rc2 = canvas.create_line(18 + bw,
2 + bw,
18 + bw,
height + bw - 1,
2 + bw,
height + bw - 1,
fill='black',
tags=('right', ))
# create a letter in the cursor
rl1 = canvas.create_text(bw + 11,
bw + self.height / 2,
text=unicode(u"\u25C0"),
font=self.FONTsmall,
tags=('right', ))
self.canvas.move('right', width - 20, 0)
self.rightOrigBB = canvas.bbox('right')
self.updateBackPoly()
canvas.tag_bind('left', "<ButtonPress-1>",
CallbackFunction(self.mouseDown, 'left'))
#canvas.tag_bind('left', "<ButtonRelease-1>",
# CallbackFunction( self.mouseUp, 'left'))
canvas.tag_bind('left', "<B1-Motion>",
CallbackFunction(self.mouseMove, 'left'))
canvas.tag_bind('right', "<ButtonPress-1>",
CallbackFunction(self.mouseDown, 'right'))
#canvas.tag_bind('right', "<ButtonRelease-1>",
# CallbackFunction( self.mouseUp, 'right'))
canvas.tag_bind('right', "<B1-Motion>",
CallbackFunction(self.mouseMove, 'right'))
canvas.tag_bind('poly', "<ButtonPress-1>",
CallbackFunction(self.mouseDown, 'poly'))
canvas.tag_bind('poly', "<B1-Motion>",
CallbackFunction(self.mouseMove, 'poly'))
#canvas.tag_bind('poly', "<ButtonRelease-1>",
# CallbackFunction( self.mouseUp, 'poly'))
self.canvas.pack(side=Tkinter.LEFT)