def fetch_eppic_plugin(): print "Getting PMGApp" app = plugins.get_pmgapp() print "Getting TK" root = plugins.get_tk_root() print "Getting panel" panel = EppicPanel(root)
def mainDialog():
app = plugins.get_pmgapp()
root = plugins.get_tk_root()
self = Tkinter.Toplevel(root)
self.title('CHemical Energy Wise Decomposition')
self.minsize(250, 0)
self.resizable(0, 0)
CHEWD(self)
def fetch_eppic_plugin():
print "Getting PMGApp"
app = plugins.get_pmgapp()
print "Getting TK"
root = plugins.get_tk_root()
print "Getting panel"
panel = EppicPanel(root)
def __init__(self, selection=None, name=None, symbols='', state=-1):
try:
from pymol.plugins import get_pmgapp
pmgapp = get_pmgapp()
except ImportError:
pmgapp = None
if pmgapp is not None:
rootframe = Tkinter.Toplevel(pmgapp.root)
parent = rootframe
else:
rootframe = Tkinter.Tk()
parent = rootframe
rootframe.title(' Dynamic Angle Plotting ')
rootframe.protocol("WM_DELETE_WINDOW", self.close_callback)
canvas = SimplePlot(parent, width=320, height=320)
canvas.bind("<Button-2>", canvas.pickWhich)
canvas.bind("<Button-3>", canvas.pickWhich)
canvas.pack(side=Tkinter.LEFT, fill="both", expand=1)
canvas.axis(xint=150,
xlabels=[-180, -120, -60, 0, 60, 120, 180],
ylabels=[
-180, -150, -120, -90, -60, -30, 0, 30, 60, 90, 120,
150, 180
])
if symbols == 'ss':
canvas.symbols = 1
if name is None:
try:
name = cmd.get_unused_name('DynoRama')
except AttributeError:
name = 'DynoRamaObject'
self.rootframe = rootframe
self.canvas = canvas
self.name = name
self.lock = 0
self.state = state
if name != 'none':
auto_zoom = cmd.get('auto_zoom')
cmd.set('auto_zoom', 0)
cmd.load_callback(self, name)
cmd.set('auto_zoom', auto_zoom)
canvas.bind("<ButtonPress-1>", canvas.down)
canvas.bind("<ButtonRelease-1>", canvas.up)
canvas.bind("<Motion>", canvas.drag)
if selection is not None:
self.start(selection)
if with_mainloop and pmgapp is None:
rootframe.mainloop()
def __init__(self, selection=None, name=None, symbols='', state=-1):
try:
from pymol.plugins import get_pmgapp
pmgapp = get_pmgapp()
except ImportError:
pmgapp = None
if pmgapp is not None:
rootframe = Tkinter.Toplevel(pmgapp.root)
parent = rootframe
else:
rootframe = Tkinter.Tk()
parent = rootframe
rootframe.title(' Dynamic Angle Plotting ')
rootframe.protocol("WM_DELETE_WINDOW", self.close_callback)
canvas = SimplePlot(parent, width=320, height=320)
canvas.bind("<Button-2>", canvas.pickWhich)
canvas.bind("<Button-3>", canvas.pickWhich)
canvas.pack(side=Tkinter.LEFT, fill="both", expand=1)
canvas.axis(xint=150,
xlabels=[-180, -120, -60, 0, 60, 120, 180],
ylabels=[-180, -150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180])
if symbols == 'ss':
canvas.symbols = 1
if name is None:
try:
name = cmd.get_unused_name('DynoRama')
except AttributeError:
name = 'DynoRamaObject'
self.rootframe = rootframe
self.canvas = canvas
self.name = name
self.lock = 0
self.state = state
if name != 'none':
auto_zoom = cmd.get('auto_zoom')
cmd.set('auto_zoom', 0)
cmd.load_callback(self, name)
cmd.set('auto_zoom', auto_zoom)
canvas.bind("<ButtonPress-1>", canvas.down)
canvas.bind("<ButtonRelease-1>", canvas.up)
canvas.bind("<Motion>", canvas.drag)
if selection is not None:
self.start(selection)
if with_mainloop and pmgapp is None:
rootframe.mainloop()
def open_builder_panel(self):
from pmg_qt.builder import BuilderPanelDocked
from pymol import plugins
app = plugins.get_pmgapp()
if not self.builder:
self.builder = BuilderPanelDocked(self, app)
self.addDockWidget(Qt.TopDockWidgetArea, self.builder)
self.builder.show()
self.builder.raise_()
def open_builder_panel(self):
from pmg_qt.builder import BuilderPanelDocked
from pymol import plugins
app = plugins.get_pmgapp()
if not self.builder:
self.builder = BuilderPanelDocked(self, app)
self.addDockWidget(Qt.TopDockWidgetArea, self.builder)
self.builder.show()
self.builder.raise_()
def calloutpanel():
self = Tkinter.Toplevel(plugins.get_tk_root())
self.title('Label Settings')
master = self
app = plugins.get_pmgapp()
def makeframe(text):
f = Tkinter.LabelFrame(self, text=text, padx=5, pady=5)
f.pack(fill=Tkinter.X, expand=1)
return f
topframes = {}
def updatetopframe(v):
for top in topframes.values():
top.pack_forget()
if v not in topframes:
if v == 'PICKED':
if cmd.count_atoms('?pk1') != 1:
tkMessageBox.showwarning(
'Warning', 'Please pick an atom in edit mode')
return
setting = Setting.AtomSetting(app, 'pk1')
elif v == 'GLOBAL':
setting = app.skin.setting
else:
raise ValueError(v)
topframes[v] = maketopframe(self, setting)
topframes[v].pack(fill=Tkinter.BOTH, expand=1)
but_level = Pmw.OptionMenu(master,
labelpos='w',
label_text='Selection:',
items=['GLOBAL', 'PICKED'],
command=updatetopframe)
but_level.pack(side=Tkinter.TOP)
master = makeframe("Unset Object or Atom level Settings")
Tkinter.Button(
master, text="all atoms",
command=lambda: unset_label_settings('(*)')).pack(side=Tkinter.LEFT)
Tkinter.Button(
master, text="all objects",
command=lambda: unset_label_settings('*')).pack(side=Tkinter.LEFT)
updatetopframe('GLOBAL')
def initializePlugins(self):
from pymol import plugins
from . import mimic_tk
self.menudict['Plugin'].clear()
app = plugins.get_pmgapp()
plugins.legacysupport.addPluginManagerMenuItem()
# Redirect to Legacy submenu
self.menudict['PluginQt'] = self.menudict['Plugin']
self.menudict['Plugin'] = self.menudict['PluginQt'].addMenu('Legacy Plugins')
self.menudict['Plugin'].setTearOffEnabled(True)
self.menudict['PluginQt'].addSeparator()
plugins.HAVE_QT = True
plugins.initialize(app)
def initializePlugins(self):
from pymol import plugins
from . import mimic_tk
self.menudict['Plugin'].clear()
app = plugins.get_pmgapp()
plugins.legacysupport.addPluginManagerMenuItem()
# Redirect to Legacy submenu
self.menudict['PluginQt'] = self.menudict['Plugin']
self.menudict['Plugin'] = self.menudict['PluginQt'].addMenu('Legacy Plugins')
self.menudict['Plugin'].setTearOffEnabled(True)
self.menudict['PluginQt'].addSeparator()
plugins.HAVE_QT = True
plugins.initialize(app)
def calloutpanel():
self = Tkinter.Toplevel()
self.title('Label Settings')
master = self
app = plugins.get_pmgapp()
def makeframe(text):
f = Tkinter.LabelFrame(self, text=text, padx=5, pady=5)
f.pack(fill=Tkinter.X, expand=1)
return f
topframes = {}
def updatetopframe(v):
for top in topframes.values():
top.pack_forget()
if v not in topframes:
if v == 'PICKED':
if cmd.count_atoms('?pk1') != 1:
tkMessageBox.showwarning('Warning', 'Please pick an atom in edit mode')
return
setting = Setting.AtomSetting(app, 'pk1')
elif v == 'GLOBAL':
setting = app.skin.setting
else:
raise ValueError(v)
topframes[v] = maketopframe(self, setting)
topframes[v].pack(fill=Tkinter.BOTH, expand=1)
but_level = Pmw.OptionMenu(master, labelpos='w', label_text='Selection:',
items=['GLOBAL', 'PICKED'], command=updatetopframe)
but_level.pack(side=Tkinter.TOP)
master = makeframe("Unset Object or Atom level Settings")
Tkinter.Button(master, text="all atoms",
command=lambda: unset_label_settings('(*)')
).pack(side=Tkinter.LEFT)
Tkinter.Button(master, text="all objects",
command=lambda: unset_label_settings('*')
).pack(side=Tkinter.LEFT)
updatetopframe('GLOBAL')
def get_pmgapp():
'''
TODO move to this module
'''
from pymol import plugins
return plugins.get_pmgapp()
def fetchdialog():
from Tkinter import LEFT, RIGHT, TOP, BOTTOM
app = plugins.get_pmgapp()
root = plugins.get_tk_root()
self = Tkinter.Toplevel(root)
self.title('PDB Loader Service')
self.minsize(250, 0)
self.resizable(0,0)
outer = self
pad = 4
type_options = [
"pdb (Asymmetric Unit)",
"pdb1 (Biological Unit)",
"2fofc (Density)",
"fofc (Difference Density)",
"cid (PubChem Compound)",
"sid (PubChem Substance)",
"emd (EMDB Density)",
]
var_code = Tkinter.StringVar(self)
var_chain = Tkinter.StringVar(self)
var_type = Tkinter.StringVar(self, type_options[0])
var_keep = Tkinter.BooleanVar(self,
not cmd.get_setting_boolean('autoclose_dialogs'))
def callback(*args):
code = var_code.get()
type = get_trunc(var_type)
if type == 'pdb':
code += var_chain.get()
try:
result = cmd.fetch(code, type=type)
if result == -1:
raise CmdException('You entered an invalid pdb code: ' + code)
except CmdException as e:
import tkMessageBox
tkMessageBox.showerror('Error', str(e), parent=self)
return
cmd.log('fetch %s, type=%s, async=0\n' % (code, type))
if not var_keep.get():
self.destroy()
def callback_type(*args):
v = get_trunc(var_type)
if v.startswith('pdb') or v.endswith('fofc'):
but_code.configure(width=4)
else:
but_code.configure(width=20)
if v == 'pdb':
frame_pdb.pack(side=LEFT)
else:
frame_pdb.pack_forget()
def makerow(label=None, parent=None, **kwargs):
master = Tkinter.Frame(parent or outer)
master.pack(fill=Tkinter.X, **kwargs)
if label:
Tkinter.Label(master, text=label).pack(side=LEFT)
return master
padkw = {'padx': pad, 'pady': (pad, 0)}
master = makerow("Type:", **padkw)
but_type = Tkinter.OptionMenu(master, var_type, *type_options,
command=callback_type).pack(side=LEFT)
master = makerow("Code:", **padkw)
but_code = Tkinter.Entry(master, textvariable=var_code, width=4)
but_code.bind("<Return>", callback)
but_code.pack(side=LEFT)
frame_pdb = makerow("Chain:", master, side=LEFT, padx=8)
but_chain = Tkinter.Entry(frame_pdb, textvariable=var_chain, width=4)
but_chain.bind("<Return>", callback)
but_chain.pack(side=LEFT)
master = makerow(padx=pad, pady=(2*pad,0))
but_ok = Tkinter.Button(master, width=10, text="OK",
command=callback)
but_cancel = Tkinter.Button(master, width=10, text="Cancel",
command=self.destroy)
but_cancel.pack(side=RIGHT, fill=Tkinter.X)
but_ok.pack(side=RIGHT, fill=Tkinter.X)
master = makerow(padx=pad, pady=(2,pad))
but_keep = Tkinter.Checkbutton(master, text="Keep dialog open", variable=var_keep)
but_keep.pack(side=RIGHT)
but_code.focus_set()
def NMR_GUI():
from pymol import plugins
root = plugins.get_tk_root()
app = plugins.get_pmgapp()
pyNMR.startGUI(Tk.Toplevel(root))
def create_dialog():
dialog = QtWidgets.QDialog()
dialog.setWindowTitle('Lighting Settings')
setting = plugins.get_pmgapp().skin.setting
sliders = [
"Diffuse Reflection",
('ambient', 0, 1, None),
('reflect', -1, 1, None),
"Direct Light from Front",
('direct (+reflect)', -1, 1, None), # diffuse, coupled with "reflect"
('spec_direct', 0, 1, None),
('spec_direct_power', 0, 100, 1),
"Free placeable directed Lights",
('light_count', 1, 8, 1),
('edit_light', 1, 7, 1),
"Specular Reflection",
('spec_count', -1, 8, 1),
# ('spec_power', -1, 200, 1), # deprecated since v1.5
('shininess', 0, 100, None), # same as spec_power
('spec_reflect', -0.01, 1, None),
('specular', 0, 1, None),
('specular_intensity (=specular)', 0, 1, None), # same as specular
"Ambient Occlusion (Surface only)",
('ambient_occlusion_mode', 0, 2, 1),
('ambient_occlusion_scale', 1.0, 50., None),
('ambient_occlusion_smooth', 1, 20, 1),
"Ray trace only",
('power', 1, 10, None),
('reflect_power', 1, 10, None),
]
layout = QtWidgets.QVBoxLayout(dialog)
button_layout = QtWidgets.QHBoxLayout()
layout.addLayout(button_layout)
layout.setContentsMargins(5, 0, 5, 0)
button_layout.addWidget(
QtWidgets.QLabel("<font color=red>Presets:</font>"))
presets = [
("Default", preset_default),
("Metal", preset_metal),
("Plastic", preset_plastic),
("Rubber", preset_rubber),
("X-Ray", preset_xray),
]
for name, fun in presets:
btn = QtWidgets.QPushButton(name, dialog)
btn.pressed.connect(fun)
btn.setAutoDefault(False)
button_layout.addWidget(btn)
form_layout = QtWidgets.QFormLayout()
form_layout.setContentsMargins(0, 0, 0, 0)
form_layout.setVerticalSpacing(0)
form_layout.setLabelAlignment(Qt.AlignLeft)
layout.addLayout(form_layout)
for i, item in enumerate(sliders, 1):
if isinstance(item, str):
label = QtWidgets.QLabel("<font color=blue>" + item + "</font>")
form_layout.addRow(label)
continue
name, min, max, res = item
if res is None:
res = 0.01 if (max - min < 100) else 0.1
line_edit = QtWidgets.QLineEdit(dialog)
slider = SettingSlider(dialog,
name.split()[0], min, max, res, line_edit)
h_layout = QtWidgets.QHBoxLayout()
h_layout.addWidget(slider, 3)
h_layout.addWidget(line_edit, 1)
form_layout.addRow(name, h_layout)
return dialog
def fetchdialog(simulation=False):
if simulation:
root = Tkinter.Tk()
else:
app = plugins.get_pmgapp()
root = plugins.get_tk_root()
appData = {"cifDir": False}
mainWindow = Tkinter.Toplevel(root)
# self = VerticalScrolledFrame(root)
mainWindow.title('Supramolecular analyser')
mainWindow.minsize(1335, 400)
mainWindow.resizable(1, 1)
# self = VerticalScrolledFrame(self)
canvas = Tkinter.Canvas(mainWindow, width=1320, height=900)
canvas.grid(row=0, column=0, columnspan=50)
mainScrollbar = Tkinter.Scrollbar(mainWindow,
orient="vertical",
command=canvas.yview)
mainScrollbar.grid(row=0, column=50, rowspan=1)
def moveDown(event):
canvas.yview_scroll(1, "units")
def moveUp(event):
canvas.yview_scroll(-1, "units")
#
canvas.configure(yscrollcommand=mainScrollbar.set)
# canvas.configure(scrollregion = canvas.bbox("all"))
canvas.configure(scrollregion=(0, 0, 1320, 1800))
canvas.bind_all("<Down>", moveDown)
canvas.bind_all("<Up>", moveUp)
self = Tkinter.Frame(canvas, width=1320, height=900)
canvas.create_window((0, 0), window=self, anchor='nw')
nb = ttk.Notebook(self, height=700, width=1320)
pageAnionPi = ttk.Frame(nb)
pagePiPi = ttk.Frame(nb)
pageCationPi = ttk.Frame(nb)
pageAnionCation = ttk.Frame(nb)
pageHBonds = ttk.Frame(nb)
pageMetalLigand = ttk.Frame(nb)
pageLinearAnionPi = ttk.Frame(nb)
pagePlanarAnionPi = ttk.Frame(nb)
pageQM = ttk.Frame(nb)
pageJobStatus = ttk.Frame(nb)
nb.add(pageAnionPi, text="AnionPi")
nb.add(pagePiPi, text="PiPi")
nb.add(pageCationPi, text="CationPi")
nb.add(pageAnionCation, text="AnionCation")
nb.add(pageHBonds, text="HBonds")
nb.add(pageMetalLigand, text="MetalLigand")
nb.add(pageLinearAnionPi, text="LinearAnionPi")
nb.add(pagePlanarAnionPi, text="PlanarAnionPi")
nb.add(pageQM, text="QM assistant")
nb.add(pageJobStatus, text="Job monitor")
nb.grid(column=0, row=0, columnspan=20)
supramolecularComposition = SupramolecularComposition(
pageAnionPi, pagePiPi, pageCationPi, pageAnionCation, pageHBonds,
pageMetalLigand, pageLinearAnionPi, pagePlanarAnionPi, pageQM,
pageJobStatus)
######################
# GENERAL
######################
def readLogDir():
appData["logDir"] = tkFileDialog.askdirectory()
if not appData["logDir"]:
print("nihuhu")
return
ent_logDir.configure(state="normal")
ent_logDir.delete(0, "end")
ent_logDir.insert(0, appData["logDir"])
ent_logDir.configure(state="readonly")
supramolecularComposition.readAllLogsFromDir(appData["logDir"])
but_readLogDir = Tkinter.Button(self,
width=20,
text="Read log Dir",
command=readLogDir)
but_readLogDir.grid(row=2, column=0, columnspan=2)
ent_logDir = Tkinter.Entry(self, width=45)
ent_logDir.configure(state="readonly")
ent_logDir.grid(row=2, column=2, columnspan=4)
def selectCif():
appData["cifDir"] = tkFileDialog.askdirectory()
if not appData["cifDir"]:
print("nihuhu")
return
ent_cifDir.configure(state="normal")
ent_cifDir.delete(0, "end")
ent_cifDir.insert(0, appData["cifDir"])
ent_cifDir.configure(state="readonly")
supramolecularComposition.selectCifDir(appData["cifDir"])
but_cifDir = Tkinter.Button(self,
width=10,
command=selectCif,
text="Cif dir")
but_cifDir.grid(row=2, column=6)
ent_cifDir = Tkinter.Entry(self, width=45)
ent_cifDir.configure(state="readonly")
ent_cifDir.grid(row=2, column=7, columnspan=3)
def setParellelSelection():
state = var_parallelSelection.get()
supramolecularComposition.setParallelSelection(state)
lab_parallelSelection = Tkinter.Label(self, text="Parallel selection")
lab_parallelSelection.grid(row=2, column=10)
var_parallelSelection = Tkinter.IntVar()
chk_parallelSelection = Tkinter.Checkbutton(self,
variable=var_parallelSelection,
command=setParellelSelection)
chk_parallelSelection.grid(row=2, column=11)
actionMenu = {}
column = 1
lab_usePage = Tkinter.Label(self, width=10, text="Use:")
lab_usePage.grid(row=4, column=0)
lab_doNotUsePage = Tkinter.Label(self, width=10, text="Exclude:")
lab_doNotUsePage.grid(row=5, column=0)
for label in supramolecularComposition.actionLabels:
actionMenu[label] = {}
actionMenu[label]["label"] = Tkinter.Label(self, text=label)
actionMenu[label]["label"].grid(row=3, column=column)
actual_row = 4
actionMenu[label]["checkValue"] = Tkinter.IntVar()
actionMenu[label]["checkbox"] = Tkinter.Checkbutton(
self, variable=actionMenu[label]["checkValue"])
actionMenu[label]["checkbox"].grid(row=actual_row, column=column)
actual_row += 1
actionMenu[label]["checkValueExclude"] = Tkinter.IntVar()
actionMenu[label]["checkboxExclude"] = Tkinter.Checkbutton(
self, variable=actionMenu[label]["checkValueExclude"])
actionMenu[label]["checkboxExclude"].grid(row=actual_row,
column=column)
column += 1
lab_showInt = Tkinter.Label(self, width=10, text="Show:")
lab_showInt.grid(row=6, column=0)
showMenu = {}
column = 1
for label in supramolecularComposition.actionLabels:
showMenu[label] = {}
showMenu[label]["checkValue"] = Tkinter.IntVar()
showMenu[label]["checkbox"] = Tkinter.Checkbutton(
self, variable=showMenu[label]["checkValue"])
showMenu[label]["checkbox"].grid(row=6, column=column)
column += 1
def mergeResults():
supramolecularComposition.merge(actionMenu)
ent_recordingState = Tkinter.Entry(self, width=20)
ent_recordingState.grid(row=3, column=9, columnspan=2)
ent_recordingState.insert(0, "Not recording")
ent_recordingState.configure(state="readonly")
def startRecording():
ent_recordingState.configure(state="normal")
ent_recordingState.delete(0, "end")
ent_recordingState.insert(0, "Recording")
ent_recordingState.configure(state="readonly")
supramolecularComposition.startRecording()
but_startRecording = Tkinter.Button(self,
width=20,
text="Start recording",
command=startRecording)
but_startRecording.grid(row=3, column=11, columnspan=2)
def stopRecording():
ent_recordingState.configure(state="normal")
ent_recordingState.delete(0, "end")
ent_recordingState.insert(0, "Not recording")
ent_recordingState.configure(state="readonly")
supramolecularComposition.stopRecording()
but_stopRecording = Tkinter.Button(self,
width=20,
text="Stop recording",
command=stopRecording)
but_stopRecording.grid(row=4, column=11, columnspan=2)
but_merge = Tkinter.Button(self,
width=20,
text="Merge!",
command=mergeResults)
but_merge.grid(row=5, column=9, columnspan=2)
def showAllInteractions():
supramolecularComposition.showAll(showMenu)
but_showMany = Tkinter.Button(self,
width=20,
text="Show",
command=showAllInteractions)
but_showMany.grid(row=6, column=9, columnspan=2)
but_saveState = Tkinter.Button(self,
width=20,
text="Save GUI state",
command=supramolecularComposition.saveState)
but_saveState.grid(row=5, column=11, columnspan=2)
but_loadState = Tkinter.Button(self,
width=20,
text="Load GUI state",
command=supramolecularComposition.loadState)
but_loadState.grid(row=6, column=11, columnspan=2)
#INDYVIDUALS
lab_anionGroupAsIndyviduals = Tkinter.Label(
self, width=30, text="Anion's groups as indyviduals:")
lab_anionGroupAsIndyviduals.grid(row=7, column=1, columnspan=3)
chk_anionGroupsAsIndyviduals = Tkinter.Checkbutton(
self, variable=supramolecularComposition.anionsAsIndyviduals)
chk_anionGroupsAsIndyviduals.grid(row=7, column=4)
lab_ringsAsIndyviduals = Tkinter.Label(
self, width=30, text="Residues's rings as indyviduals:")
lab_ringsAsIndyviduals.grid(row=7, column=5, columnspan=2)
chk_ringsAsIndyviduals = Tkinter.Checkbutton(
self, variable=supramolecularComposition.residuesRingsAsIndyviduals)
chk_ringsAsIndyviduals.grid(row=7, column=7)
######################
# ALL
######################
supramolecularComposition.grid()
# canvas.configure(scrollregion = canvas.bbox("all"))
if simulation:
self.mainloop()
def fetchdialog():
app = plugins.get_pmgapp()
root = plugins.get_tk_root()
self = Tkinter.Toplevel(root)
self.title('PDB Loader Service')
self.minsize(250, 0)
self.resizable(0, 0)
outer = self
pad = 4
type_options = [
"cif (mmCIF)",
"pdb (Asymmetric Unit)",
"pdb1 (Biological Unit)",
"2fofc (Density)",
"fofc (Difference Density)",
"cid (PubChem Compound)",
"sid (PubChem Substance)",
"emd (EMDB Density)",
"cc (Chemical Component)",
]
var_code = Tkinter.StringVar(self)
var_chain = Tkinter.StringVar(self)
var_assembly = Tkinter.StringVar(self, cmd.get('assembly'))
var_name = Tkinter.StringVar(self)
var_type = Tkinter.StringVar(self, type_options[0])
var_keep = Tkinter.BooleanVar(
self, not cmd.get_setting_boolean('autoclose_dialogs'))
def callback(*args):
code = var_code.get()
type = get_trunc(var_type)
if type in ('pdb', 'cif'):
code += var_chain.get()
if type == 'cif':
cmd.set('assembly', var_assembly.get())
try:
result = cmd.fetch(code, var_name.get(), type=type)
if result == -1:
raise CmdException('You entered an invalid pdb code: ' + code)
except CmdException as e:
tkMessageBox.showerror('Error', str(e), parent=self)
return
cmd.log('fetch %s, type=%s, async=0\n' % (code, type))
if not var_keep.get():
self.destroy()
def callback_type(*args):
v = get_trunc(var_type)
if v.startswith('pdb') or v.endswith('fofc') or v.startswith('cif'):
but_code.configure(width=4)
else:
but_code.configure(width=20)
if v in ('pdb', 'cif'):
frame_pdb.pack(side=LEFT)
else:
frame_pdb.pack_forget()
if v == 'cif':
frame_assembly.pack(side=LEFT)
else:
frame_assembly.pack_forget()
def makerow(label=None, parent=None, **kwargs):
master = Tkinter.Frame(parent or outer)
master.pack(fill=Tkinter.X, **kwargs)
if label:
Tkinter.Label(master, text=label).pack(side=LEFT)
return master
padkw = {'padx': pad, 'pady': (pad, 0)}
master = makerow("Type:", **padkw)
but_type = Tkinter.OptionMenu(master,
var_type,
*type_options,
command=callback_type).pack(side=LEFT)
master = makerow("Code:", **padkw)
but_code = Tkinter.Entry(master, textvariable=var_code, width=4)
but_code.bind("<Return>", callback)
but_code.pack(side=LEFT)
frame_pdb = makerow("Chain:", master, side=LEFT, padx=8)
but_chain = Tkinter.Entry(frame_pdb, textvariable=var_chain, width=4)
but_chain.bind("<Return>", callback)
but_chain.pack(side=LEFT)
frame_assembly = makerow("Assembly:", master, side=LEFT, padx=8)
but_assembly = Tkinter.Entry(frame_assembly,
textvariable=var_assembly,
width=4)
but_assembly.bind("<Return>", callback)
but_assembly.pack(side=LEFT)
frame_name = makerow("Name of new object:", **padkw)
but_name = Tkinter.Entry(frame_name, textvariable=var_name, width=8)
but_name.bind("<Return>", callback)
but_name.pack(side=LEFT)
master = makerow(padx=pad, pady=(2 * pad, 0))
but_ok = Tkinter.Button(master, width=10, text="OK", command=callback)
but_cancel = Tkinter.Button(master,
width=10,
text="Cancel",
command=self.destroy)
but_cancel.pack(side=RIGHT, fill=Tkinter.X)
but_ok.pack(side=RIGHT, fill=Tkinter.X)
master = makerow(padx=pad, pady=(2, pad))
but_keep = Tkinter.Checkbutton(master,
text="Keep dialog open",
variable=var_keep)
but_keep.pack(side=RIGHT)
but_code.focus_set()
def edit_pymolrc(self):
from . import TextEditor
from pymol import plugins
TextEditor.edit_pymolrc(plugins.get_pmgapp())
def edit_pymolrc(self):
from . import TextEditor
from pymol import plugins
TextEditor.edit_pymolrc(plugins.get_pmgapp())
def get_pmgapp():
'''
TODO move to this module
'''
from pymol import plugins
return plugins.get_pmgapp()