import Tkinter as Tk import MMB_UI import pyMMB import tkMessageBox import Tix import ttk import string # import pdb ############################################################################# class ComboBox(Tk.OptionMenu): """ A combobox with a self managed traced variable """ def __init__(self, master, options, default, data=None, command=None, *args, **kw): self.var = Tk.StringVar(master) self.var.set(default) self.data = data if not command: self.var.trace("w", lambda name, index, mode: self.defaultCommand()) else: self.var.trace("w", lambda name, index, mode, x=self: command(x)) params = list(options) + list(args) Tk.OptionMenu.__init__(self, master, self.var, *params, **kw) def get(self): return self.var.get() def set(self, val): self.var.set(val) def defaultCommand(self): pass ############################################################################# class EmptyLabel(Tk.Label): def __init__(self, parent, *args, **kw): Tk.Label.__init__(self, parent, text="", *args, **kw) ############################################################################# class ValidatingEntry(Tk.Entry): def __init__(self, parent, value=None, command=None, data=None, extVariable=None, *args, **kw): # extVariable and command,value are exclusive. If you want to use an external variable, set it up yourself # valid percent substitutions (from the Tk entry man page) # %d = Type of action (1=insert, 0=delete, -1 for others) # %i = index of char string to be inserted/deleted, or -1 # %P = value of the entry if the edit is allowed # %s = value of entry prior to editing # %S = the text string being inserted or deleted, if any # %v = the type of validation that is currently set # %V = the type of validation that triggered the callback # (key, focusin, focusout, forced) # %W = the tk name of the widget vcmd = (parent.register(self.OnValidate), '%d', '%i', '%P', '%s', '%S', '%v', '%V', '%W') self.command = command or self.dummyCmd self.data = data if extVariable: self.textVar = extVariable else: self.textVar = Tk.StringVar() if value: self.textVar.set(str(value)) self.textVar.trace("w", lambda name, index, mode, x=self: self.command(x)) Tk.Entry.__init__(self, parent, validate="key", validatecommand=vcmd, textvariable=self.textVar, *args, **kw) self.balloon = Tix.Balloon() def dummyCmd(self, *args): pass def get(self): return Tk.Entry.get(self) def set(self, val): self.textVar.set(str(val)) def validate(self): self.configure(background="white") def invalidate(self, message): self.configure(background="red") # self.balloon.bind_widget(self, msg=message) def OnValidate(self, action, index, value_if_allowed, prior_value, text, validation_type, trigger_type, widget_name): return True ############################################################################# class NumericEntry(ValidatingEntry): def get(self): try: return float(Tk.Entry.get(self)) except ValueError: return 0.0 def OnValidate(self, action, index, value_if_allowed, prior_value, text, validation_type, trigger_type, widget_name): if value_if_allowed == "": return True try: float(value_if_allowed) return True except ValueError: return False return False ############################################################################# class IntegerEntry(ValidatingEntry): def get(self): try: return int(Tk.Entry.get(self)) except ValueError: return 0 def OnValidate(self, action, index, value_if_allowed, prior_value, text, validation_type, trigger_type, widget_name): if value_if_allowed == "": return True try: int(value_if_allowed) return True except ValueError: return False return False ############################################################################# class SequenceEntry(ValidatingEntry): def get(self): return Tk.Entry.get(self).upper() def OnValidate(self, action, index, value_if_allowed, prior_value, text, validation_type, trigger_type, widget_name): if action == "0": return True if not text.isalpha(): return False # pdb.set_trace() return True ############################################################################# class ChainIDEntry(ValidatingEntry): def get(self): return Tk.Entry.get(self).upper() def OnValidate(self, action, index, value_if_allowed, prior_value, text, validation_type, trigger_type, widget_name): if action == "0": return True if text not in string.ascii_letters+string.digits: return False if len(value_if_allowed) > 1: return False return True ############################################################################# class TracedCheckButton(Tk.Checkbutton): def __init__(self, parent, text="", value=False, command=None, data=None, extVariable=None, *args, **kw): # extVariable and command,value are exclusive. If you want to use an external variable, set it up yourself cmd = None if extVariable: self.varBool = extVariable else: self.varBool = Tk.BooleanVar() self.varBool.set(value) cmd = self.dummyCmd if command: cmd = lambda wid=self: command(wid) self.data = data Tk.Checkbutton.__init__(self, parent, text=text, variable=self.varBool, command=cmd) self.bind("", self.giveMeFocus) def dummyCmd(self, *args): pass def get(self): return self.varBool.get() def set(self, value): if value: self.select() else: self.deselect() def validate(self): pass def invalidate(self): self.set(self.varBool.get()) def giveMeFocus(self, event): self.focus_set() ############################################################################# class LabeledWidget(Tk.Frame): def __init__(self, parent, entryclass=ValidatingEntry, labelText="", value=None, command=None, data=None, *args, **kw): Tk.Frame.__init__(self,parent) self.label = Tk.Label(self, text=labelText) self.label.pack(side="left") self.entry = entryclass(self, command=command,value=value,data=data, *args, **kw) self.entry.pack(side="left") if hasattr(parent, "tkTags"): self.bindtags(self.bindtags()+parent.tkTags) self.label.bindtags(self.label.bindtags()+parent.tkTags) self.entry.bindtags(self.entry.bindtags()+parent.tkTags) def get(self): return self.entry.get() def set(self, val): return self.entry.set(val) def config(self, cnf=None, **kw): try: return Tk.Frame.config(self, cnf, **kw) except Tk.TclError: pass return self.entry.config(cnf, **kw) def configure(self, cnf=None, **kw): self.config(cnf, **kw) ############################################################################# ## Management of MMB parameters variables by Tk Variables class ParametersTraces(): entryTypes = { int: Tk.IntVar, float:Tk.DoubleVar, bool: Tk.BooleanVar, str: Tk.StringVar } traces = {} @classmethod def getVariable(cls, parameterName): paramType = type(MMB_UI.getMMBParameter(parameterName)) var = ParametersTraces.traces.get(parameterName) if not var: var = ParametersTraces.traces.setdefault(parameterName, ParametersTraces.entryTypes[paramType]()) # Make sure the trace is set to the freshest value from MMB value = MMB_UI.getMMBParameter(parameterName) var.set(value) return var @classmethod def get(cls, parameterName): var = ParametersTraces.getVariable(parameterName) return var.get() @classmethod def set(cls, parameterName, value): var = ParametersTraces.traces.get(parameterName) var.set(value) ############################################################################# ## Generation of LabeledWidget widgets for MMB parameters class ParameterEntry(LabeledWidget): entryTypes = { int: IntegerEntry, float:NumericEntry, bool: TracedCheckButton, str: ValidatingEntry } def __init__(self, parent, parameterName, guitext="", command=None, width=5): if not guitext: guitext = parameterName value = MMB_UI.getMMBParameter(parameterName) paramType = type(value) var = ParametersTraces.getVariable(parameterName) LabeledWidget.__init__(self, parent, ParameterEntry.entryTypes[paramType], labelText=guitext, extVariable=var, data=parameterName, width=width ) self.traceName = var.trace_variable("w", lambda name, index, mode, x=self.entry: ParameterEntry.changeParameter(x)) ## We have to delete the callback when the widget is destroyed def destroy(self): var = ParametersTraces.getVariable(self.entry.data) var.trace_vdelete("w", self.traceName) LabeledWidget.destroy(self) @classmethod def changeParameter(cls, widget): try: if widget.master.focus_get() == widget: MMB_UI.setMMBParameter(widget.data, widget.get()) widget.validate() except pyMMB.MMBError as e: widget.invalidate() tkMessageBox.showerror("MMB Error", e.msg) ############################################################################# from chimera.baseDialog import ModelessDialog ## Dialog containing widgets for all MMB parameters class AllParametersDialog(ModelessDialog): name = "MMB - Parameters" buttons = ("Close") title = "MMB - Parameters" ## GUI code def fillInUI(self, parent): paramNames = sorted( [x[0] for x in MMB_UI.MMBparameters._fields_] ) self.fr = ScrolledFrame(parent, tkTags=("AllParametersFrameTag",)) # self.fr.bindtags(self.fr.bindtags()+self.fr.tkTags) for i,p in enumerate(paramNames): w = ParameterEntry(self.fr, p, width=15) w.grid(row=i, column=0, sticky=Tk.S+Tk.N+Tk.E) ############################################################################# ## Defines a composition of widgets displayed on the same grid line # Widgets variables names must begin by 'wid' class WidgetsLine: def __init__(self, parent, guiID, data, select=False): self.listFrame = parent self.guiID = guiID self.data = data self.varSelect = Tk.BooleanVar() self.varSelect.set(select) self.widValid = None self.widNew = None self.widMatch = None self.balloon = Tix.Balloon() ## Generator yielding +1 from 0. Useful for grid column option. def iter1(self): n = 0 while 1: yield n n += 1 def changeAttribute(self, x, redisplay=True): """ x.data is the name of the attribute to update x.get() return the new value of this attribute """ # self.data.removeRepresentation() self.data.removeFromSelection() attr_key = x.data attr = x.get() self.data.setAttribute(attr_key, attr) self.data.valid = False self.select(True) self.display() self.data.updateRepresentation() def applyTags(self): if hasattr(self.listFrame,"tkTags"): [w.bindtags(w.bindtags()+self.listFrame.tkTags) for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid")] if w] def select(self, val): self.varSelect.set(val) self.selectLine() def selectLine(self): WidgetsLine.updateBgColor(self) if self.varSelect.get(): self.data.addToSelection() else: self.data.removeFromSelection() def updateBgColor(self): # determine background color col = "snow" if self.varSelect.get(): col = "pale green" if not self.data.valid: col = "light salmon" if self.data.new: col = "light blue" [w.config(bg=col) for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid")] if w] if self.widNew: self.widNew.config(highlightbackground=col) if self.widMatch: self.widMatch.config(highlightbackground=col) if self.widValid: self.widValid.config(highlightbackground=col) def drawValidNewButtons(self, colID): if self.data.new: self.widNew = Tk.Button(self.listFrame, text="Add", command=self.addCommand) self.balloon.bind_widget(self.widNew, msg="Validate and add this mobilizer to MMB") self.widValid = EmptyLabel(self.listFrame) self.widNew.grid(row=self.guiID, column=colID,sticky=Tk.W+Tk.E+Tk.S+Tk.N) elif not self.data.valid: self.widValid = Tk.Button(self.listFrame, text=u"\u2713", command=self.updateMMB) self.balloon.bind_widget(self.widValid, msg="Validate and commit changes to MMB") self.widNew = EmptyLabel(self.listFrame) self.widValid.grid(row=self.guiID, column=colID,sticky=Tk.W+Tk.E+Tk.S+Tk.N) else: self.widNew = EmptyLabel(self.listFrame) self.widValid = EmptyLabel(self.listFrame) self.widNew.grid(row=self.guiID, column=colID,sticky=Tk.W+Tk.E+Tk.S+Tk.N) def updateMMB(self): try: self.data.mmbUpdate() # pyMMB.postInitialize() self.data.valid = True self.data.updateRepresentation() self.display() except pyMMB.MMBError as e: tkMessageBox.showerror("MMB Error", e.msg) ############################################################################# class PolymerWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, polymer, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, polymer) self.addCommand = addCommand ## Redefinition of base class changeAttribute because the behavior is different def changeAttribute(self, x, redisplay=True): """ x.data is the name of the attribute to update x.get() return the new value of this attribute """ self.data.removeFromSelection() attr_key = x.data attr = x.get() self.data.setAttribute(attr_key, attr) self.data.addToSelection() self.data.valid = False if redisplay: self.display() else: self.drawValidNewButtons(5) self.updateBgColor() # self.data.updateRepresentation() def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid")] if w] colNum = self.iter1() # self.widChainLabel = Tk.Label(self.listFrame, text=str(self.data.chainID)) # self.widChainLabel.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) # Polymer's type polyType = MMB_UI.PolyTypes[self.data.polyType] self.widPolyTypeOption = ComboBox(self.listFrame, MMB_UI.PolyTypes, polyType, command=self.changeAttribute, data="polyType") self.widPolyTypeOption.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) if not self.data.new: self.widPolyTypeOption.config(state="disabled") self.widChainEntry = ChainIDEntry(self.listFrame, value= self.data.chainID, width=1, command=lambda x, redisplay=False: self.changeAttribute(x,redisplay), data="chainID") # self.widChainEntry.insert(0, self.data.chainID) self.widChainEntry.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) if not self.data.new: self.widChainEntry.config(state="disabled") else: self.widChainEntry.config(selectbackground="dodger blue") # First Res # textfield self.widFirstRes = IntegerEntry(self.listFrame, value=self.data.firstResNum, width=3, command=lambda x, redisplay=False: self.changeAttribute(x,redisplay), data="firstResNum") # self.widFirstRes.insert(0, self.data.firstResNum) self.widFirstRes.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) if not self.data.new: self.widFirstRes.config(state="disabled") else: self.widFirstRes.config(selectbackground="dodger blue") self.balloon.bind_widget(self.widFirstRes, msg="Number of the first res. in the sequence") # Sequence self.widSeqEntry = SequenceEntry(self.listFrame, value=self.data.sequence, width=50, command=lambda x, redisplay=False: self.changeAttribute(x,redisplay), data="sequence") # self.widSeqEntry.insert(0, self.data.sequence) self.widSeqEntry.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.balloon.bind_widget(self.widSeqEntry, msg="Polymer's sequence") if MMB_UI.polymersInitialized: self.widSeqEntry.config(state="disabled") if self.data.new: self.widSeqEntry.config(selectbackground="dodger blue") # Topolgy (new or from a pdb file) self.widTopoOption = ComboBox(self.listFrame, MMB_UI.Topologies, self.data.topo, command=self.changeAttribute, data="topo") self.widTopoOption.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) if self.data.new or MMB_UI.polymersInitialized: self.widTopoOption.config(state="disabled") self.drawValidNewButtons(colNum.next()) self.varSelect.set(self.data.select) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widShowHide = Tk.Button(self.listFrame, text="Show/Hide", command=self.data.show_hide) self.widShowHide.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class BasePairWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, pair, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, pair) self.addCommand = addCommand def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid")] if w] self.widLabel = Tk.Label(self.listFrame, text=str(self.guiID)) self.widLabel.grid(row=self.guiID, column=0,sticky=Tk.W+Tk.E+Tk.S+Tk.N) p1 = MMB_UI.polymers[self.data.poly1] p2 = MMB_UI.polymers[self.data.poly2] self.widPoly1 = ComboBox(self.listFrame, MMB_UI.sortedNucleicAcidsIDs(), self.data.poly1, data="poly1", command=self.changeAttribute) self.widPoly1.grid(row=self.guiID, column=1,sticky=Tk.W+Tk.E) self.widRes1 = ComboBox(self.listFrame, p1.getResNamesIDsList(), p1.getResNameId(self.data.res1), data="res1", command=self.changeAttribute) self.widRes1.grid(row=self.guiID, column=2,sticky=Tk.W+Tk.E) self.widEdge1 = ComboBox(self.listFrame, MMB_UI.PairTypes, self.data.edge1, data="edge1", command=self.changeAttribute) self.widEdge1.grid(row=self.guiID, column=3,sticky=Tk.W+Tk.E) self.widPoly2 = ComboBox(self.listFrame, MMB_UI.sortedNucleicAcidsIDs(), self.data.poly2, data="poly2", command=self.changeAttribute) self.widPoly2.grid(row=self.guiID, column=4,sticky=Tk.W+Tk.E) self.widRes2 = ComboBox(self.listFrame, p2.getResNamesIDsList(), p2.getResNameId(self.data.res2), data="res2", command=self.changeAttribute) self.widRes2.grid(row=self.guiID, column=5,sticky=Tk.W+Tk.E) self.widEdge2 = ComboBox(self.listFrame, MMB_UI.PairTypes, self.data.edge2, data="edge2", command=self.changeAttribute) self.widEdge2.grid(row=self.guiID, column=6,sticky=Tk.W+Tk.E) self.widOrient = ComboBox(self.listFrame, MMB_UI.BondOrient, self.data.bondOrient, data="bondOrient", command=self.changeAttribute) self.widOrient.grid(row=self.guiID, column=7,sticky=Tk.W+Tk.E) self.drawValidNewButtons(8) self.varSelect.set(self.data.select) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=9,sticky=Tk.W+Tk.E+Tk.S+Tk.N) # print "Select ", self.pair.MMBiD # Apply background color to all widgets self.updateBgColor() self.applyTags() ############################################################################# class NucleicAcidDuplexWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, duplex, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, duplex) self.addCommand = addCommand def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid")] if w] colNum = self.iter1() chainsList = MMB_UI.sortedChainsIDs() if self.data.new: chainsList.insert(0,"") self.widChain1 = ComboBox(self.listFrame, chainsList, self.data.chainID1, data="chainID1", command=self.changeAttribute) self.widChain1.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) resNamesIdsList = [] if self.widChain1.get() != "": poly = MMB_UI.polymers[self.data.chainID1] resNamesIdsList = poly.getResNamesIDsList() self.widStartRes1 = ComboBox(self.listFrame, resNamesIdsList, self.data.getResStart1NameId(), data="residueStart1", command=self.changeAttribute) resNamesIdsList = poly.getResNamesIDsList() self.widEndRes1 = ComboBox(self.listFrame, resNamesIdsList, self.data.getResEnd1NameId(), data="residueEnd1", command=self.changeAttribute) else: self.widStartRes1 = EmptyLabel(self.listFrame) self.widEndRes1 = EmptyLabel(self.listFrame) self.widStartRes1.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widEndRes1.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widChain2 = ComboBox(self.listFrame, chainsList, self.data.chainID2, data="chainID2", command=self.changeAttribute) self.widChain2.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) resNamesIdsList = [] if self.widChain2.get() != "": poly = MMB_UI.polymers[self.data.chainID2] resNamesIdsList = poly.getResNamesIDsList() self.widStartRes2 = ComboBox(self.listFrame, resNamesIdsList, self.data.getResStart2NameId(), data="residueStart2", command=self.changeAttribute) resNamesIdsList = poly.getResNamesIDsList() self.widEndRes2 = ComboBox(self.listFrame, resNamesIdsList, self.data.getResEnd2NameId(), data="residueEnd2", command=self.changeAttribute) else: self.widStartRes2 = EmptyLabel(self.listFrame) self.widEndRes2 = EmptyLabel(self.listFrame) self.widStartRes2.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widEndRes2.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.drawValidNewButtons(colNum.next()) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class MobilizerWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, mobilizer, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, mobilizer) self.addCommand = addCommand def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid")] if w] self.widLabel = Tk.Label(self.listFrame, text=str(self.guiID)) self.widLabel.grid(row=self.guiID, column=0,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widMobiLabel = Tk.Label(self.listFrame, text="Mobilizer") self.widMobiLabel.grid(row=self.guiID, column=1,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widMobiType = ComboBox(self.listFrame, MMB_UI.MobilityTypes, self.data.mobility, data="mobility", command=self.changeAttribute) self.widMobiType.grid(row=self.guiID, column=2,sticky=Tk.W+Tk.E) chainsList = MMB_UI.sortedChainsIDs() if self.data.new: chainsList.insert(0,"All") self.widChain = ComboBox(self.listFrame, chainsList, self.data.chainID, data="chainID", command=self.changeAttribute) self.widChain.grid(row=self.guiID, column=3,sticky=Tk.W+Tk.E) if self.widChain.get() != "All": poly = MMB_UI.polymers[self.data.chainID] resNamesIdsList = poly.getResNamesIDsList() if self.data.new: resNamesIdsList.insert(0,"All") self.widStartRes = ComboBox(self.listFrame, resNamesIdsList, self.data.getResStartNameId(), data="resStart", command=self.changeAttribute) if self.widStartRes.get() != "All": resNamesIdsList = poly.getResNamesIDsList(self.data.resStart) self.widEndRes = ComboBox(self.listFrame, resNamesIdsList, self.data.getResEndNameId(), data="resEnd", command=self.changeAttribute) else: self.widEndRes = EmptyLabel(self.listFrame) else: self.widStartRes = EmptyLabel(self.listFrame) self.widEndRes = EmptyLabel(self.listFrame) self.widStartRes.grid(row=self.guiID, column=4,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widEndRes.grid(row=self.guiID, column=5,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.drawValidNewButtons(6) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=7,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class MobilizerWithinWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, mobilizerWithin, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, mobilizerWithin) self.addCommand = addCommand self.widRadius = None def changeRadius(self, *args): self.data.removeFromSelection() self.data.radius = float(self.widRadius.get())/10.0 self.data.valid = False self.select(True) self.display() def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid") and k!="widRadius"] if w] self.widLabel = EmptyLabel(self.listFrame) self.widLabel.grid(row=self.guiID, column=0,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widMobiLabel = Tk.Label(self.listFrame, text="MobilizersWithin") self.widMobiLabel.grid(row=self.guiID, column=1,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widMobiType = ComboBox(self.listFrame, MMB_UI.MobilityTypes, self.data.mobility, data="mobility", command=self.changeAttribute) self.widMobiType.grid(row=self.guiID, column=2,sticky=Tk.W+Tk.E) chainsList = MMB_UI.sortedChainsIDs() self.widChain = ComboBox(self.listFrame, chainsList, self.data.chainID, data="chainID", command=self.changeAttribute) self.widChain.grid(row=self.guiID, column=3,sticky=Tk.W+Tk.E) resID = "" resNamesIdsList = [""] if self.data.chainID != "": poly = MMB_UI.polymers[self.data.chainID] resNamesIdsList = poly.getResNamesIDsList() if self.data.resID != "": resID = self.data.getResNameId() self.widRes = ComboBox(self.listFrame, resNamesIdsList, resID, data="resID", command=self.changeAttribute) self.widRes.grid(row=self.guiID, column=4,sticky=Tk.W+Tk.E+Tk.S+Tk.N) if not self.widRadius: self.widRadius = NumericEntry(self.listFrame, value=self.data.radius*10.0, command=self.changeAttribute, data="radius", width=5) if self.data.new: self.widRadius.config(selectbackground="dodger blue") self.widRadius.grid(row=self.guiID, column=5,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.drawValidNewButtons(6) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=7,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class RootMobilizerWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, rootmobilizer, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, rootmobilizer) self.addCommand = addCommand def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid")] if w] colNum = self.iter1() self.widLabel = Tk.Label(self.listFrame, text="RootMobilizer") self.widLabel.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widChainLabel = Tk.Label(self.listFrame, text=self.data.chainID) self.widChainLabel.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) mobiTypesList = MMB_UI.RootMobilizer.rootMobilizerTypes self.widMobi = ComboBox(self.listFrame, mobiTypesList, self.data.rootMobilizer, data="rootMobilizer", command=self.changeAttribute) self.widMobi.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) self.drawValidNewButtons(colNum.next()) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class ConstraintWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, constraint, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, constraint) self.addCommand = addCommand def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid")] if w] self.widLabel = Tk.Label(self.listFrame, text=str(self.guiID)) self.widLabel.grid(row=self.guiID, column=0,sticky=Tk.W+Tk.E+Tk.S+Tk.N) chainsList = [""] + MMB_UI.sortedChainsIDs() # Chain 1 self.widChain1 = ComboBox(self.listFrame, chainsList, self.data.chain1, data="chain1", command=self.changeAttribute) self.widChain1.grid(row=self.guiID, column=1,sticky=Tk.W+Tk.E) # Residue 1 res1List = [""] poly1 = MMB_UI.BioPolymer() res1State = "normal" if self.data.chain1 != "": poly1 = MMB_UI.polymers[self.data.chain1] res1List = res1List + poly1.getResNamesIDsList() else: res1State = "disabled" self.widRes1 = ComboBox(self.listFrame, res1List, self.data.getRes1NameId(), data="res1", command=self.changeAttribute) self.widRes1.config(state=res1State) self.widRes1.grid(row=self.guiID, column=2,sticky=Tk.W+Tk.E) # Atom 1 atom1List = [""] atom1State = "normal" if self.data.chain1 != "" and self.data.res1 != "": atom1List = atom1List + self.data.getRes1AtomsList() elif self.data.res1 == "": atom1State = "disabled" self.widAtom1 = ComboBox(self.listFrame, atom1List, self.data.atom1, data="atom1", command=self.changeAttribute) self.widAtom1.config(state=atom1State) self.widAtom1.grid(row=self.guiID, column=3,sticky=Tk.W+Tk.E) # Weld label self.widWeldLabel = Tk.Label(self.listFrame, text="Weld") self.widWeldLabel.grid(row=self.guiID, column=4,sticky=Tk.W+Tk.E+Tk.S+Tk.N) # Chain 2 chainsList = ["Ground"] + chainsList[1:] # we skip the " " chain self.widChain2 = ComboBox(self.listFrame, chainsList, self.data.chain2, data="chain2", command=self.changeAttribute) self.widChain2.grid(row=self.guiID, column=5,sticky=Tk.W+Tk.E) # Residue 2 res2List = [""] poly2 = MMB_UI.BioPolymer() res2State = "normal" if self.data.chain2 != "Ground": poly2 = MMB_UI.polymers[self.data.chain2] res2List = res2List + poly2.getResNamesIDsList() else: res2State = "disabled" self.widRes2 = ComboBox(self.listFrame, res2List, self.data.getRes2NameId(), data="res2", command=self.changeAttribute) self.widRes2.config(state=res2State) self.widRes2.grid(row=self.guiID, column=6,sticky=Tk.W+Tk.E) # Atom 2 atom2List = [""] atom2State = "normal" if self.data.chain2 != "Ground" and self.data.res2 != "": atom2List = atom2List + self.data.getRes2AtomsList() elif self.data.res2 == "": atom2State = "disabled" self.widAtom2 = ComboBox(self.listFrame, atom2List, self.data.atom2, data="atom2", command=self.changeAttribute) self.widAtom2.config(state=atom2State) self.widAtom2.grid(row=self.guiID, column=7,sticky=Tk.W+Tk.E) self.drawValidNewButtons(8) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=9,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class AllResiduesWithinWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, allResiduesWithin, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, allResiduesWithin) self.addCommand = addCommand self.widRadius = None def changeRadius(self, *args): self.data.removeFromSelection() self.data.radius = float(self.widRadius.get())/10.0 self.data.valid = False self.select(True) self.display() def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid") and k!="widRadius"] if w] self.widLabel = Tk.Label(self.listFrame, text=str(self.guiID)) self.widLabel.grid(row=self.guiID, column=0,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widARWLabel = Tk.Label(self.listFrame, text="AllResiduesWithin") self.widARWLabel.grid(row=self.guiID, column=1,sticky=Tk.W+Tk.E+Tk.S+Tk.N) if not self.widRadius: self.widRadius = NumericEntry(self.listFrame, value=self.data.radius*10.0, command=self.changeRadius, width=5) if self.data.new: self.widRadius.config(selectbackground="dodger blue") self.widRadius.grid(row=self.guiID, column=2,sticky=Tk.W+Tk.E+Tk.S+Tk.N) chainsList = MMB_UI.sortedChainsIDs() self.widChain = ComboBox(self.listFrame, chainsList, self.data.chain, data="chain", command=self.changeAttribute) self.widChain.grid(row=self.guiID, column=3,sticky=Tk.W+Tk.E) resID = "" resNamesIdsList = [""] if self.data.chain != "": poly = MMB_UI.polymers[self.data.chain] resNamesIdsList = poly.getResNamesIDsList() if self.data.residue != "": resID = self.data.getResNameId() self.widRes = ComboBox(self.listFrame, resNamesIdsList, resID, data="residue", command=self.changeAttribute) self.widRes.grid(row=self.guiID, column=4,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.drawValidNewButtons(5) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=6,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class IncludeNonBondAllAtomsInResidueWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, includeNonBondAllAtomsInResidue, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, includeNonBondAllAtomsInResidue) self.addCommand = addCommand self.widRadius = None def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid") and k!="widRadius"] if w] self.widLabel = Tk.Label(self.listFrame, text=str(self.guiID)) self.widLabel.grid(row=self.guiID, column=0,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widARWLabel = Tk.Label(self.listFrame, text="IncludeNonBondAllAtomsInResidue") self.widARWLabel.grid(row=self.guiID, column=1,sticky=Tk.W+Tk.E+Tk.S+Tk.N) chainsList = MMB_UI.sortedChainsIDs() self.widChain = ComboBox(self.listFrame, chainsList, self.data.chain, data="chain", command=self.changeAttribute) self.widChain.grid(row=self.guiID, column=2,sticky=Tk.W+Tk.E) resID = "" resNamesIdsList = [""] if self.data.chain != "": poly = MMB_UI.polymers[self.data.chain] resNamesIdsList = poly.getResNamesIDsList() if self.data.residue != "": resID = self.data.getResStartNameId() self.widRes = ComboBox(self.listFrame, resNamesIdsList, resID, data="residue", command=self.changeAttribute) self.widRes.grid(row=self.guiID, column=3,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.balloon.bind_widget(self.widRes, msg="From") if self.data.new: resEnd = "" if self.data.chain != "" and self.data.resEnd != "": resNamesIdsList = poly.getResNamesIDsList(self.data.residue) resEnd = self.data.getResEndNameId() self.widResEnd = ComboBox(self.listFrame, resNamesIdsList, resEnd, data="resEnd", command=self.changeAttribute) self.widResEnd.grid(row=self.guiID, column=4,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.balloon.bind_widget(self.widResEnd, msg="To") else: self.widResEnd = EmptyLabel(self.listFrame) self.widResEnd.grid(row=self.guiID, column=4,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.drawValidNewButtons(5) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=6,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class DeactivatePhysicsWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, data, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, data) self.addCommand = addCommand self.varActivate = Tk.BooleanVar() self.varActivate.set(self.data.activePhysics) def changeActivePhysics(self, *args): self.data.removeFromSelection() self.data.activePhysics = self.varActivate.get() self.data.valid = False self.select(True) self.display() def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid")] if w] colNum = self.iter1() self.widLabel = Tk.Label(self.listFrame, text="Physics") self.widLabel.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widChainLabel = Tk.Label(self.listFrame, text=self.data.chainID) self.widChainLabel.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widActivate = Tk.Checkbutton(self.listFrame, text="", variable=self.varActivate, command=self.changeActivePhysics) self.widActivate.grid(row=self.guiID, column=colNum.next(), sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.drawValidNewButtons(colNum.next()) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class ContactWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, contact, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, contact) self.addCommand = addCommand def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid")] if w] self.widLabel = Tk.Label(self.listFrame, text=str(self.guiID)) self.widLabel.grid(row=self.guiID, column=0,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widContactLabel = Tk.Label(self.listFrame, text="Contact") self.widContactLabel.grid(row=self.guiID, column=1,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widContactType = ComboBox(self.listFrame, MMB_UI.Contact.typesList, self.data.contactScheme, data="contactScheme", command=self.changeAttribute) self.widContactType.grid(row=self.guiID, column=2,sticky=Tk.W+Tk.E) chainsList = MMB_UI.sortedChainsIDs() if self.data.new: chainsList.insert(0,"") self.widChain = ComboBox(self.listFrame, chainsList, self.data.chainID, data="chainID", command=self.changeAttribute) self.widChain.grid(row=self.guiID, column=3,sticky=Tk.W+Tk.E) resNamesIdsList = [] if self.widChain.get() != "": poly = MMB_UI.polymers[self.data.chainID] resNamesIdsList = poly.getResNamesIDsList() resNamesIdsList.insert(0,"All") self.widStartRes = ComboBox(self.listFrame, resNamesIdsList, self.data.getResStartNameId(), data="resStart", command=self.changeAttribute) if self.widStartRes.get() != "All": resNamesIdsList = poly.getResNamesIDsList(self.data.resStart) self.widEndRes = ComboBox(self.listFrame, resNamesIdsList, self.data.getResEndNameId(), data="resEnd", command=self.changeAttribute) else: self.widEndRes = EmptyLabel(self.listFrame) else: self.widStartRes = EmptyLabel(self.listFrame) self.widEndRes = EmptyLabel(self.listFrame) self.widStartRes.grid(row=self.guiID, column=4,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widEndRes.grid(row=self.guiID, column=5,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.drawValidNewButtons(6) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=7,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class ContactWithinWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, contactWithin, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, contactWithin) self.addCommand = addCommand self.widRadius = None def changeRadius(self, *args): self.data.removeFromSelection() self.data.radius = float(self.widRadius.get())/10.0 self.data.valid = False self.select(True) self.display() def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid") and k!="widRadius"] if w] self.widLabel = EmptyLabel(self.listFrame) self.widLabel.grid(row=self.guiID, column=0,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widContactLabel = Tk.Label(self.listFrame, text="ContactsWithin") self.widContactLabel.grid(row=self.guiID, column=1,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widContactType = ComboBox(self.listFrame, MMB_UI.Contact.typesList, self.data.contactScheme, data="contactScheme", command=self.changeAttribute) self.widContactType.grid(row=self.guiID, column=2,sticky=Tk.W+Tk.E) chainsList = MMB_UI.sortedChainsIDs() self.widChain = ComboBox(self.listFrame, chainsList, self.data.chainID, data="chainID", command=self.changeAttribute) self.widChain.grid(row=self.guiID, column=3,sticky=Tk.W+Tk.E) resID = "" resNamesIdsList = [""] if self.data.chainID != "": poly = MMB_UI.polymers[self.data.chainID] resNamesIdsList = poly.getResNamesIDsList() if self.data.resID != "": resID = self.data.getResNameId() self.widRes = ComboBox(self.listFrame, resNamesIdsList, resID, data="resID", command=self.changeAttribute) self.widRes.grid(row=self.guiID, column=4,sticky=Tk.W+Tk.E+Tk.S+Tk.N) if not self.widRadius: self.widRadius = NumericEntry(self.listFrame, value=self.data.radius*10.0, command=self.changeRadius, width=5) if self.data.new: self.widRadius.config(selectbackground="dodger blue") self.widRadius.grid(row=self.guiID, column=5,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.drawValidNewButtons(6) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=7,sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class ThreadingWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, threading, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, threading) self.addCommand = addCommand self.widForceConstant = None self.varBackbone = Tk.BooleanVar() self.varBackbone.set(self.data.backboneOnly) def changeBackbone(self, *args): self.data.removeFromSelection() self.data.backboneOnly = self.varBackbone.get() self.data.valid = False self.select(True) self.display() def changeConstant(self, *args): self.data.removeFromSelection() self.data.forceConstant = float(self.widForceConstant.get()) self.data.valid = False self.select(True) self.display() def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid") and k !="widForceConstant"] if w] colNum = self.iter1() self.widLabel = Tk.Label(self.listFrame, text=str(self.guiID)) self.widLabel.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) chainsList = MMB_UI.sortedChainsIDs() if self.data.new: chainsList.insert(0,"") self.widChain1 = ComboBox(self.listFrame, chainsList, self.data.chainID1, data="chainID1", command=self.changeAttribute) self.widChain1.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) resNamesIdsList = [""] if self.widChain1.get() != "": poly = MMB_UI.polymers[self.data.chainID1] resNamesIdsList = poly.getResNamesIDsList() self.widStartRes1 = ComboBox(self.listFrame, resNamesIdsList, self.data.getResStart1NameId(), data="residueStart1", command=self.changeAttribute) if self.data.getResStart1NameId(): resNamesIdsList = poly.getResNamesIDsList(self.data.residueStart1) self.widEndRes1 = ComboBox(self.listFrame, resNamesIdsList, self.data.getResEnd1NameId(), data="residueEnd1", command=self.changeAttribute) self.widStartRes1.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widEndRes1.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widChain2 = ComboBox(self.listFrame, chainsList, self.data.chainID2, data="chainID2", command=self.changeAttribute) self.widChain2.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) resNamesIdsList = [""] if self.widChain2.get() != "": poly = MMB_UI.polymers[self.data.chainID2] resNamesIdsList = poly.getResNamesIDsList() self.widStartRes2 = ComboBox(self.listFrame, resNamesIdsList, self.data.getResStart2NameId(), data="residueStart2", command=self.changeAttribute) if self.data.getResStart2NameId(): resNamesIdsList = poly.getResNamesIDsList(self.data.residueStart2) self.widEndRes2 = ComboBox(self.listFrame, resNamesIdsList, self.data.getResEnd2NameId(), data="residueEnd2", command=self.changeAttribute) self.widStartRes2.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widEndRes2.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) if not self.widForceConstant: self.widForceConstant = NumericEntry(self.listFrame, value=self.data.forceConstant, command=self.changeConstant, width=5) if self.data.new: self.widForceConstant.config(selectbackground="dodger blue") self.widForceConstant.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) else: colNum.next() self.widBackbone = Tk.Checkbutton(self.listFrame, text="", variable=self.varBackbone, command=self.changeBackbone) self.widBackbone.grid(row=self.guiID, column=colNum.next(), sticky=Tk.W+Tk.E+Tk.S+Tk.N) if not self.data.new: self.widMatch = Tk.Button(self.listFrame, text="Match", command=self.data.matchSelections) self.balloon.bind_widget(self.widMatch, msg="RMS fit the residues with Chimera's match command") else: self.widMatch = EmptyLabel(self.listFrame) self.widMatch.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.drawValidNewButtons(colNum.next()) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class GappedThreadingWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, gappedThreading, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, gappedThreading) self.addCommand = addCommand self.widForceConstant = None self.varBackbone = Tk.BooleanVar() self.varBackbone.set(self.data.backboneOnly) def changeBackbone(self, *args): self.data.removeFromSelection() self.data.backboneOnly = self.varBackbone.get() self.data.valid = False self.select(True) self.display() def changeConstant(self, *args): self.data.removeFromSelection() self.data.forceConstant = float(self.widForceConstant.get()) self.data.valid = False self.select(True) self.display() def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid") and k !="widForceConstant"] if w] colNum = self.iter1() self.widLabel = Tk.Label(self.listFrame, text=str(self.guiID)) self.widLabel.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) chainsList = MMB_UI.sortedChainsIDs() if self.data.new: chainsList.insert(0,"") self.widChain1 = ComboBox(self.listFrame, chainsList, self.data.chainID1, data="chainID1", command=self.changeAttribute) self.widChain1.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) self.widChain2 = ComboBox(self.listFrame, chainsList, self.data.chainID2, data="chainID2", command=self.changeAttribute) self.widChain2.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) if not self.widForceConstant: self.widForceConstant = NumericEntry(self.listFrame, value=self.data.forceConstant, command=self.changeConstant, width=5) if self.data.new: self.widForceConstant.config(selectbackground="dodger blue") self.widForceConstant.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) else: colNum.next() self.widBackbone = Tk.Checkbutton(self.listFrame, text="", variable=self.varBackbone, command=self.changeBackbone) self.widBackbone.grid(row=self.guiID, column=colNum.next(), sticky=Tk.W+Tk.E+Tk.S+Tk.N) if not self.data.new: self.widMatch = Tk.Button(self.listFrame, text="Match", command=self.data.matchSelections) self.balloon.bind_widget(self.widMatch, msg="RMS fit the residues with Chimera's match command") else: self.widMatch = EmptyLabel(self.listFrame) self.widMatch.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.drawValidNewButtons(colNum.next()) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class AtomSpringWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, atomspring, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, atomspring) self.addCommand = addCommand self.widForceConstant = None self.widDeadLength = None self.varTether = Tk.BooleanVar() self.varTether.set(self.data.tether) def changeTether(self, *args): # self.data.removeFromSelection() self.data.tether = self.varTether.get() self.data.valid = False self.select(True) self.display() def changeConstant(self, *args): self.data.forceConstant = float(self.widForceConstant.get()) self.data.valid = False self.select(True) self.display() def changeDeadLength(self, *args): self.data.deadLength = float(self.widDeadLength.get())/10.0 self.data.valid = False self.select(True) self.display() def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid") and k not in ["widForceConstant", "widDeadLength"]] if w] colNum = self.iter1() self.widLabel = Tk.Label(self.listFrame, text=str(self.guiID)) self.widLabel.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) chainsList = [""] + MMB_UI.sortedChainsIDs() # Chain 1 self.widChain1 = ComboBox(self.listFrame, chainsList, self.data.chain1, data="chain1", command=self.changeAttribute) self.widChain1.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) # Residue 1 res1List = [""] poly1 = MMB_UI.BioPolymer() res1State = "normal" if self.data.chain1 != "": poly1 = MMB_UI.polymers[self.data.chain1] res1List = res1List + poly1.getResNamesIDsList() else: res1State = "disabled" self.widRes1 = ComboBox(self.listFrame, res1List, self.data.getRes1NameId(), data="res1", command=self.changeAttribute) self.widRes1.config(state=res1State) self.widRes1.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) # Atom 1 atom1List = [""] atom1State = "normal" if self.data.chain1 != "" and self.data.res1 != "": atom1List = atom1List + self.data.getRes1AtomsList() elif self.data.res1 == "": atom1State = "disabled" self.widAtom1 = ComboBox(self.listFrame, atom1List, self.data.atom1, data="atom1", command=self.changeAttribute) self.widAtom1.config(state=atom1State) self.widAtom1.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) # Weld label self.widWeldLabel = Tk.Label(self.listFrame, text="Attached to") self.widWeldLabel.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) # Chain 2 self.widChain2 = ComboBox(self.listFrame, chainsList, self.data.chain2, data="chain2", command=self.changeAttribute) self.widChain2.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) # Residue 2 res2List = [""] poly2 = MMB_UI.BioPolymer() res2State = "normal" if self.data.chain2 != "": poly2 = MMB_UI.polymers[self.data.chain2] res2List = res2List + poly2.getResNamesIDsList() else: res2State = "disabled" self.widRes2 = ComboBox(self.listFrame, res2List, self.data.getRes2NameId(), data="res2", command=self.changeAttribute) self.widRes2.config(state=res2State) self.widRes2.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) # Atom 2 atom2List = [""] atom2State = "normal" if self.data.chain2 != "" and self.data.res2 != "": atom2List = atom2List + self.data.getRes2AtomsList() elif self.data.res2 == "": atom2State = "disabled" self.widAtom2 = ComboBox(self.listFrame, atom2List, self.data.atom2, data="atom2", command=self.changeAttribute) self.widAtom2.config(state=atom2State) self.widAtom2.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) self.widTether = Tk.Checkbutton(self.listFrame, text="", variable=self.varTether, command=self.changeTether) self.widTether.grid(row=self.guiID, column=colNum.next(), sticky=Tk.W+Tk.E+Tk.S+Tk.N) if not self.widForceConstant: self.widForceConstant = NumericEntry(self.listFrame, value=self.data.forceConstant, command=self.changeConstant, width=5) if self.data.new: self.widForceConstant.config(selectbackground="dodger blue") self.widForceConstant.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) else: colNum.next() if not self.widDeadLength: self.widDeadLength = NumericEntry(self.listFrame, value=self.data.deadLength*10.0, command=self.changeDeadLength, width=5) if self.data.new: self.widDeadLength.config(selectbackground="dodger blue") self.widDeadLength.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) else: colNum.next() self.drawValidNewButtons(colNum.next()) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class DensityWidgetsLine(WidgetsLine): def __init__(self, listFrame, guiID, density, select=False, addCommand=None): WidgetsLine.__init__(self, listFrame, guiID, density) self.addCommand = addCommand def display(self): # clear my widgets [w.destroy() for w in [self.__dict__[k] for k in self.__dict__ if k.startswith("wid")] if w] colNum = self.iter1() self.widLabel = Tk.Label(self.listFrame, text=str(self.guiID)) self.widLabel.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widDensityLabel = Tk.Label(self.listFrame, text="Density") self.widDensityLabel.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) chainsList = MMB_UI.sortedChainsIDs() if self.data.new: chainsList.insert(0,"") self.widChain = ComboBox(self.listFrame, chainsList, self.data.chainID, data="chainID", command=self.changeAttribute) self.widChain.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E) resNamesIdsList = [] if self.widChain.get() != "": poly = MMB_UI.polymers[self.data.chainID] resNamesIdsList = poly.getResNamesIDsList() resNamesIdsList.insert(0,"All") self.widStartRes = ComboBox(self.listFrame, resNamesIdsList, self.data.getResStartNameId(), data="resStart", command=self.changeAttribute) if self.widStartRes.get() != "All": resNamesIdsList = poly.getResNamesIDsList(self.data.resStart) self.widEndRes = ComboBox(self.listFrame, resNamesIdsList, self.data.getResEndNameId(), data="resEnd", command=self.changeAttribute) else: self.widEndRes = EmptyLabel(self.listFrame) else: self.widStartRes = EmptyLabel(self.listFrame) self.widEndRes = EmptyLabel(self.listFrame) self.widStartRes.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.widEndRes.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.drawValidNewButtons(colNum.next()) self.widSelect = Tk.Checkbutton(self.listFrame, text="", variable=self.varSelect, command=self.selectLine) self.widSelect.grid(row=self.guiID, column=colNum.next(),sticky=Tk.W+Tk.E+Tk.S+Tk.N) self.updateBgColor() self.applyTags() ############################################################################# class ScrolledFrame(Tk.Frame): def __init__(self, parent, tkTags=()): self.tkTags = tkTags self.canvas = Tk.Canvas(parent) self.canvas.bindtags(self.canvas.bindtags() + self.tkTags) Tk.Frame.__init__(self, self.canvas) self.bindtags(self.bindtags() + self.tkTags) self.canvas.create_window((0,0), window=self, anchor="nw", tags="frame") self.vsb = ttk.Scrollbar(parent, orient="vertical", command=self.canvas.yview) self.canvas.configure(yscrollcommand=self.vsb.set) self.vsb.pack(side="right", fill="y") self.canvas.pack(fill="both", expand=True) self.canvas.xview_moveto(0) self.canvas.yview_moveto(0) self.update_idletasks() self.bind("", self.OnScrolledFrameConfigure) self.canvas.bind_class(self.tkTags, "", self.OnScrolledFrameMouseWheel) self.canvas.bind_class(self.tkTags, "", self.OnScrolledFrameMouseWheel) self.canvas.bind_class(self.tkTags, "",self.OnScrolledFrameMouseWheel) ## Callback when resizing a frame within a self.canvas - sets the scrollbar size def OnScrolledFrameConfigure(self, event): w,h = event.width, event.height wnatural = self.winfo_reqwidth() self.canvas.configure(width= w if w>wnatural else wnatural) hnatural = self.winfo_reqheight() # self.canvas.configure(height= h if h>hnatural else hnatural) self.canvas.configure(scrollregion=[0,0,wnatural,hnatural]) # sbtop, sbbottom = self.vsb.get() # if sbbottom - sbtop < 1.0: # self.canvas.bind_class(self.tkTags, "", self.OnScrolledFrameMouseWheel) # self.canvas.bind_class(self.tkTags, "", self.OnScrolledFrameMouseWheel) # self.canvas.bind_class(self.tkTags, "",self.OnScrolledFrameMouseWheel) # else: # self.canvas.unbind_class(self.tkTags, "" ) # self.canvas.unbind_class(self.tkTags, "" ) # self.canvas.unbind_class(self.tkTags, "") ## Callback for mouse wheel events in ScrolledFrame def OnScrolledFrameMouseWheel(self, event): # print event.delta sbtop, sbbottom = self.vsb.get() if sbbottom - sbtop < 1.0: self.canvas.yview_scroll(-event.delta,"units") ############################################################################# def createCustomTextEditors(parent, name): cmdGlobalLabel = Tk.Label(parent, text=name) cmdGlobalLabel.pack() cmdEditor = Tk.Text(parent) scroll = Tk.Scrollbar(cmdEditor) scroll.pack(side='right', fill='y') scroll.config(command=cmdEditor.yview) cmdEditor.config(yscrollcommand = scroll.set) return cmdEditor ############################################################################# class CmdPrompt(Tk.Frame): def __init__(self, parent, history = [], value=None, command=None, label=None, *args, **kw): Tk.Frame.__init__(self,parent) self.command = command self.textVar = Tk.StringVar() if value: self.textVar.set(str(value)) if label: self.label = Tk.Label(self, text=label) self.label.pack(side="left") self.entry = Tk.Entry(self, textvariable=self.textVar, *args, **kw) self.entry.pack(side="left",fill="x",expand=True) self.entry.bind("", self.onEnterKey) self.entry.bind("", self.onEnterKey) self.entry.bind("", self.onUpKey) self.entry.bind("", self.onDownKey) self.button = Tk.Button(self, text="Send", command=lambda event=None: self.onEnterKey(event)) self.button.pack(side="right") self.history = history self.historyPos = len(self.history) def onEnterKey(self, event): if self.textVar.get() != "": if self.command: self.command(self.textVar.get()) self.history.append(self.textVar.get()) self.historyPos = len(self.history) self.entry.selection_range(0, Tk.END) def onUpKey(self, event): self.historyPos -= 1 if self.historyPos <= 0: self.historyPos = 1 return if len(self.history) > 0: self.textVar.set(self.history[self.historyPos-1]) self.entry.selection_range(0, Tk.END) def onDownKey(self, event): self.historyPos += 1 if self.historyPos > len(self.history): self.historyPos = len(self.history)+1 self.textVar.set("") return if len(self.history) > 0: self.textVar.set(self.history[self.historyPos-1]) self.entry.selection_range(0, Tk.END) ############################################################################# class LabeledButton(Tk.Frame): def __init__(self, parent, history = [], command=None, labelText=" ", buttonText=" " , *args, **kw): Tk.Frame.__init__(self,parent) self.command = command self.label = Tk.Label(self, text=labelText) self.label.pack(side="left") self.button = Tix.Button(self, text=buttonText,command=command) self.button.pack(side="left") def setLabelText(self, text): self.label.configure(text=text) ############################################################################# ## Enable/Disable a widget according to a boolean def changeWidgetState(widget, boolean): if boolean: widget.configure(state="normal") else: widget.configure(state="disabled") ############################################################################# from OpenSave import OpenModeless #* Open file chimera Style class InputPdbDialog(OpenModeless): default = 'Open Pdb File' title = 'MMB -- Polymers' def OpenPdbFile(self, *args): self.command(self.getPaths()[0]) self.destroy() class InputMMBFileDialog(OpenModeless): default = 'Open MMB File' title = 'MMB -- Command file' def OpenMMBFile(self, *args): self.command(self.getPaths()[0]) self.destroy() class OpenXplorMapDialog(OpenModeless): default = 'Open Map' def __init__(self, command=None, multiple=False): title = 'MMB -- Xplor Density Map' OpenModeless.__init__(self, title = title, filters=[("Xplor density maps","*.xplor")], defaultFilter="Xplor density maps", command=command, multiple=multiple) def OpenMap(self, *args): self.command(self.getPaths()[0]) self.destroy()