def __init__(self, parent, title, values_cb):
self.values_cb = values_cb
self.name_to_value = {}
import Tkinter
f = Tkinter.Frame(parent)
self.frame = f
if title:
label = Tkinter.Label(f, text=title)
label.grid(row=0, column=0, sticky='w')
self.label = label
from CGLtk import Hybrid
v = Hybrid.StringVariable(parent)
self.variable = v
mb = Tkinter.Menubutton(f,
textvariable=v.tk_variable,
indicatoron=1,
borderwidth=2,
relief='raised',
highlightthickness=2,
anchor='c')
mb.grid(row=0, column=1, sticky='w')
m = Tkinter.Menu(mb, tearoff=0, postcommand=self.update_menu)
self.menu = m
mb['menu'] = m
self.update_menu()
def fillInUI(self, parent):
from chimera.widgets import MoleculeScrolledListBox
self.molList = MoleculeScrolledListBox(parent,
labelpos='w',
listbox_selectmode="extended",
label_text="Add ions : ")
self.molList.grid(row=0, column=0, sticky="nsew")
rcf1 = Tkinter.Frame(parent)
rcf1.grid(row=2, column=0, sticky="nsew")
from Addions import ValidIontypes
self.iontype = "Cl-"
self.iontypeOption = Pmw.OptionMenu(rcf1,
label_text="Ion types:",
labelpos='w',
items=ValidIontypes,
initialitem=self.iontype,
command=self.changeIontype)
self.iontypeOption.grid(row=0, column=0)
rcf2 = Tkinter.Frame(parent)
rcf2.grid(row=3, column=0)
rcf2.columnconfigure(2, weight=1)
self.numionOption = Pmw.RadioSelect(rcf2,
buttontype='radiobutton',
command=self.changeNumion,
labelpos='w',
label_text="# of ions:")
self.numionOption.add("neutralize")
self.numionOption.add("specific number:")
self.numionOption.setvalue("neutralize")
self.numionOption.grid(row=0, column=0)
self.numion = "neutralize"
self.numionValue = Hybrid.StringVariable(rcf2)
self.numionEntry = Tkinter.Entry(
rcf2,
width=5,
textvariable=self.numionValue.tk_variable,
state='disabled')
self.numionEntry.grid(row=0, column=1)
parent.rowconfigure(0, weight=1)
parent.columnconfigure(0, weight=1)
def fillInUI(self, parent):
from chimera.widgets import MoleculeScrolledListBox
self.molList = MoleculeScrolledListBox(parent,
labelpos='w',
listbox_selectmode="extended",
label_text="Solvate: ")
self.molList.grid(row=0, column=0, sticky="nsew")
self.solvateMethod = Pmw.RadioSelect(parent,
buttontype='radiobutton',
command=self.changeMethod,
labelpos='w',
label_text="Solvate method:")
self.solvateMethod.add("Box")
self.solvateMethod.add("Cap")
self.solvateMethod.add("Oct")
self.solvateMethod.add("Shell")
self.solvateMethod.setvalue("Box")
self.solvateMethod.grid(row=1, column=0, sticky="nsew")
self.method = "Box"
rcf1 = Tkinter.Frame(parent)
rcf1.grid(row=2, column=0, sticky="nsew")
self.solvent = prefs[SOLVENT_MODEL]
from Solvate import ValidSolventModels
self.solventModel = Pmw.OptionMenu(rcf1,
label_text="Solvent Model:",
labelpos='w',
items=ValidSolventModels,
initialitem=self.solvent,
command=self.changeSolvent)
self.solventModel.grid(row=0, column=0)
rcf2 = Tkinter.Frame(rcf1)
rcf2.grid(row=0, column=1)
rcf1.columnconfigure(1, weight=1)
self.extentLabel = Tkinter.Label(rcf2, text="Box size:")
self.extentLabel.grid(row=0, column=0)
self.extentValue = Hybrid.StringVariable(rcf2)
ev = Tkinter.Entry(rcf2,
width=5,
textvariable=self.extentValue.tk_variable)
ev.grid(row=0, column=1)
rcf3 = Tkinter.Frame(parent)
rcf3.grid(row=3, column=0)
self.centerLabel = Tkinter.Label(rcf3,
text="Cap center (in ambmask):",
state='disabled')
self.centerLabel.grid(row=0, column=0)
self.centerValue = Hybrid.StringVariable(rcf3)
self.centerEntry = Tkinter.Entry(
rcf3,
width=5,
textvariable=self.centerValue.tk_variable,
state='disabled')
self.centerEntry.grid(row=0, column=1)
self.removeExisting = Hybrid.Checkbutton(
parent, "Remove existing ions/solvent", True)
self.removeExisting.button.grid(row=4, column=0)
parent.rowconfigure(0, weight=1)
parent.columnconfigure(0, weight=1)
