class HBDialog(ModelessDialog):
title = "H-Bond Parameters"
buttons = ("OK", "Apply", "Close")
default = 'OK'
help = "ContributedSoftware/findhbond/findhbond.html"
def fillInUI(self, parent):
# inter/intra-model; slop; colors; models; replace current;
# label
# for removing labels in subsequent passes...
# (use a selection so I don't have to track model closures)
self.labelSelection = ItemizedSelection()
self.labelMap = {}
self.callbacks = []
row = 0
cols = 3
self.bondColorOption = ColorOption(parent,
row,
'H-bond color',
prefs[BOND_COLOR],
None,
noneOkay=0)
class HBLineWidthOption(LineWidthOption):
name = "Line width"
balloon = "Width of pseudobonds (in pixels)"
default = prefs[LINE_WIDTH]
self.lineWidth = HBLineWidthOption(parent,
row + 1,
None,
None,
None,
width=4,
sticky='w')
self.findMode = Pmw.RadioSelect(parent,
buttontype='radiobutton',
labelpos='n',
pady=0,
orient='vertical',
label_text='Find these bonds:',
hull_borderwidth=2,
hull_relief='ridge')
self.findMode.add('inter-model')
self.findMode.add('intra-model')
self.findMode.add('both')
self.findMode.invoke('both')
self.findMode.grid(row=row, column=2, rowspan=2)
row += 2
self.relaxParams = RelaxParams(parent, prefs[RELAX_COLOR])
self.relaxParams.grid(row=row, columnspan=cols, sticky='nsew', padx=2)
row += 1
self.restrictModels = Tkinter.IntVar(parent)
self.restrictModels.set(0)
self.modelFrame = Tkinter.Frame(parent)
self.molTexts = ["Restrict to models...", "Restrict to models:"]
self.restrictCheckBox = Tkinter.Checkbutton(
self.modelFrame,
variable=self.restrictModels,
text=self.molTexts[0],
command=self._restrictModelsCB)
self.restrictCheckBox.grid(row=0, column=0)
from chimera.widgets import MoleculeScrolledListBox
self.molList = MoleculeScrolledListBox(self.modelFrame,
listbox_selectmode="extended")
self.modelFrame.rowconfigure(0, weight=1)
self.modelFrame.grid(row=row, column=0, columnspan=cols, sticky="nsw")
parent.rowconfigure(row, weight=1)
row += 1
self.inSelection = Tkinter.IntVar(parent)
self.inSelection.set(0)
f = Tkinter.Frame(parent)
f.grid(row=row, column=0, columnspan=cols, sticky="w")
Tkinter.Checkbutton(f,
variable=self.inSelection,
text="Only find H-bonds with",
command=self._useSelChange).grid(row=0,
column=0,
sticky="e")
self.selType = Pmw.OptionMenu(
f,
items=["at least one end", "exactly one end", "both ends"],
initialitem=0,
menubutton_state="disabled",
labelpos="e",
label_text="selected")
self.selType.grid(row=0, column=1, sticky="w")
row += 1
self.revealEnds = Tkinter.IntVar(parent)
self.revealEnds.set(0)
Tkinter.Checkbutton(
parent,
variable=self.revealEnds,
text="If endpoint atom hidden, show endpoint residue").grid(
row=row, column=0, columnspan=cols, sticky="w")
row += 1
self.retainCurrent = Tkinter.IntVar(parent)
self.retainCurrent.set(0)
Tkinter.Checkbutton(parent,
variable=self.retainCurrent,
text="Retain currently displayed H-bonds").grid(
row=row, column=0, columnspan=cols, sticky="w")
row += 1
self.interSubmodel = Tkinter.IntVar(parent)
self.interSubmodel.set(0)
# comment out the below since there seems to be no
# situations where cross-submodel-same-model hbonds
# are interesting. If reading pdbrun files occurs, this
# may change.
#Tkinter.Checkbutton(parent, variable=self.interSubmodel,
# text="Find H-bonds between submodels\n"
# "having same principal model number"
# ).grid(row=row, column=0, columnspan=cols, sticky="w")
#row += 1
self.writeFile = Tkinter.IntVar(parent)
self.writeFile.set(0)
Tkinter.Checkbutton(parent,
variable=self.writeFile,
text="Write information to file").grid(
row=row, column=0, columnspan=cols, sticky="w")
self.fileName = None
row += 1
self.writeLog = Tkinter.IntVar(parent)
self.writeLog.set(0)
Tkinter.Checkbutton(parent,
variable=self.writeLog,
text="Write information to reply log").grid(
row=row, column=0, columnspan=cols, sticky="w")
row += 1
def addCallback(self, callback):
self.callbacks.append(callback)
def Apply(self):
states = {}
for but in self.buttonWidgets.values():
states[but] = but.cget('state')
but.config(state='disabled')
try:
self._Apply()
finally:
for but, state in states.items():
but.config(state=state)
for cb in self.callbacks:
try:
cb()
except:
replyobj.reportException("H-bond callback function")
self.callbacks = []
def _Apply(self):
intramodel = intermodel = 1
cursel = self.findMode.getcurselection()
if cursel == 'inter-model':
intramodel = 0
elif cursel == 'intra-model':
intermodel = 0
distSlop = 0.0
angleSlop = 0.0
twoColors = False
relax = self.relaxParams.relaxConstraints
rc = self.relaxParams.relaxColor
if relax:
distSlop = self.relaxParams.relaxDist
angleSlop = self.relaxParams.relaxAngle
if self.relaxParams.useRelaxColor:
twoColors = True
prefs[RELAX_COLOR] = rc.rgba
if self.inSelection.get():
selRestrict = ["any", "cross",
"both"][self.selType.index(Pmw.SELECT)]
else:
selRestrict = None
lineWidth = self.lineWidth.get()
prefs[LINE_WIDTH] = lineWidth
bc = self.bondColorOption.get()
prefs[BOND_COLOR] = bc.rgba
if self.writeFile.get():
saveFile = '-'
else:
saveFile = None
if self.restrictModels.get():
models = self.molList.getvalue()
if not models:
raise ValueError, "No restriction models chosen"
else:
models = None
from base import createHBonds
createHBonds(models=models,
intramodel=intramodel,
intermodel=intermodel,
relax=relax,
distSlop=distSlop,
angleSlop=angleSlop,
twoColors=twoColors,
selRestrict=selRestrict,
lineWidth=lineWidth,
saveFile=saveFile,
log=self.writeLog.get(),
retainCurrent=self.retainCurrent.get(),
reveal=self.revealEnds.get(),
color=bc,
slopColor=rc)
def Close(self):
self.callbacks = []
ModelessDialog.Close(self)
def _restrictModelsCB(self):
restrict = self.restrictModels.get()
self.restrictCheckBox.config(text=self.molTexts[restrict])
if restrict:
self.molList.grid(row=0, column=1, sticky="ns")
else:
self.molList.grid_forget()
def _useSelChange(self):
if self.inSelection.get():
self.selType.component("menubutton").config(state="normal")
else:
self.selType.component("menubutton").config(state="disabled")
class RelaxParams(Pmw.Group):
def __init__(self, parent, relaxColor, colorOptions=True):
self._relaxConstraints = Tkinter.IntVar(parent)
self._relaxConstraints.set(True)
Pmw.Group.__init__(self,
parent,
ring_relief='ridge',
tag_pyclass=Tkinter.Checkbutton,
tag_text='Relax H-bond constraints',
tag_variable=self._relaxConstraints)
self._relaxLabel = Tkinter.Label(self.interior(),
text="Relax constraints by: ")
self._relaxLabel.grid(row=0, column=0, rowspan=2, sticky='e')
self._relaxDist = Pmw.EntryField(self.interior(),
labelpos='e',
label_text='angstroms',
validate={
'validator': 'real',
'min': 0.0
},
value=str(recDistSlop),
entry_width=5)
self._relaxDist.grid(row=0, column=1, sticky='w')
self._relaxAngle = Pmw.EntryField(self.interior(),
labelpos='e',
label_text='degrees',
validate={
'validator': 'real',
'min': 0.0
},
value=str(recAngleSlop),
entry_width=5)
self._relaxAngle.grid(row=1, column=1, sticky='w')
if not colorOptions:
return
self._useRelaxColor = Tkinter.IntVar(parent)
self._useRelaxColor.set(0)
f = Tkinter.Frame(self.interior())
f.grid(row=2, column=0, columnspan=2)
Tkinter.Checkbutton(f,
text="Color H-bonds not meeting "
"precise criteria differently:",
variable=self._useRelaxColor).grid(row=0,
column=0,
sticky='e')
self._relaxColor = ColorOption(f,
0,
"",
relaxColor,
None,
startCol=1,
noneOkay=0)
def enable(self):
self.configure(tag_state=Tkinter.NORMAL)
self._relaxLabel.config(state=Tkinter.NORMAL)
#self._relaxDist.config(entry_state=Tkinter.NORMAL,
# label_state=Tkinter.NORMAL)
#self._relaxAngle.config(entry_state=Tkinter.NORMAL,
# label_state=Tkinter.NORMAL)
# not sure why the above doesn't work, so:
for w in (self._relaxDist, self._relaxAngle):
for c in ('entry', 'label'):
wc = w.component(c)
wc.config(state=Tkinter.NORMAL)
# TODO: color
def disable(self):
self.configure(tag_state=Tkinter.DISABLED)
self._relaxLabel.config(state=Tkinter.DISABLED)
#self._relaxDist.config(entry_state=Tkinter.DISABLED,
# label_state=Tkinter.DISABLED)
#self._relaxAngle.config(entry_state=Tkinter.DISABLED,
# label_state=Tkinter.DISABLED)
# not sure why the above doesn't work, so:
for w in (self._relaxDist, self._relaxAngle):
for c in ('entry', 'label'):
wc = w.component(c)
wc.config(state=Tkinter.DISABLED)
# TODO: color
def __getattr__(self, attrName):
if attrName == "relaxConstraints":
return self._relaxConstraints.get()
if attrName == "relaxDist":
self._relaxDist.invoke()
if not self._relaxDist.valid():
from chimera import UserError
raise UserError('Invalid "relaxed" distance'
' value; must be non-negative number')
return float(self._relaxDist.getvalue())
if attrName == "relaxAngle":
self._relaxAngle.invoke()
if not self._relaxAngle.valid():
from chimera import UserError
raise UserError('Invalid "relaxed" angle'
' value; must be non-negative number')
return float(self._relaxAngle.getvalue())
if attrName == "useRelaxColor":
return self._useRelaxColor.get()
if attrName == "relaxColor":
return self._relaxColor.get()
return Pmw.Group.__getattr__(self, attrName)
def __setattr__(self, attrName, value):
if attrName == "relaxConstraints":
return self.__dict__['_relaxConstraints'].set(value)
if attrName == "relaxDist":
self.___dict__['relaxDist'].setvalue(str(value))
if attrName == "relaxAngle":
self.___dict__['relaxAngle'].setvalue(str(value))
if attrName == "useRelaxColor":
return self.___dict__['useRelaxColor'].set(value)
if attrName == "relaxColor":
return self.___dict__['relaxColor'].set(value)
self.__dict__[attrName] = value
class CreatePlaneDialog(ModelessDialog):
title = "Define Plane"
help = "ContributedSoftware/structuremeas/structuremeas.html#define-plane"
provideStatus = True
statusPosition = "above"
def fillInUI(self, parent):
import Pmw, Tkinter
row = 0
Tkinter.Label(parent, text="Create plane for selected atoms...").grid(
row=row, columnspan=2)
row += 1
from chimera.tkoptions import StringOption, BooleanOption
self.nameOpt = StringOption(parent, row, "Plane name", "plane", None)
row += 1
self.replaceExistingOpt = BooleanOption(parent, row,
"Replace existing planes", False, None)
row += 1
from chimera.tkoptions import ColorOption, FloatOption
self.colorOpt = ColorOption(parent, row, "Color", None, None,
balloon="Plane color. If No Color, then the plane"
" will be colored to match the structure")
row += 1
self.autoRadiusOpt = BooleanOption(parent, row,
"Set disk size to enclose atom projections", True, self._radCB)
row += 1
self.radRow = row
self.radOffsetOpt = FloatOption(parent, row, "Extra radius"
" (padding)", 0.0, None)
self.radiusOpt = FloatOption(parent, row, "Fixed radius", 10.0, None)
self.radiusOpt.forget()
row += 1
self.thicknessOpt = FloatOption(parent, row, "Disk thickness",
prefs[PLANE_THICKNESS], None)
def Apply(self):
from chimera import UserError
if self.replaceExistingOpt.get():
planeManager.removePlanes(planeManager.planes)
kw = {
'color': self.colorOpt.get(),
'thickness': self.thicknessOpt.get()
}
prefs[PLANE_THICKNESS] = kw['thickness']
if self.autoRadiusOpt.get():
kw['radiusOffset'] = self.radOffsetOpt.get()
else:
kw['radius'] = self.radiusOpt.get()
replyobj.info("Creating plane\n")
selAtoms = selection.currentAtoms()
if len(selAtoms) < 3:
self.enter()
raise UserError("Need to select at least three"
" atoms to define a plane")
planeManager.createPlane(self.nameOpt.get().strip(), selAtoms, **kw)
def _radCB(self, opt):
if opt.get():
self.radiusOpt.forget()
self.radOffsetOpt.manage()
else:
self.radOffsetOpt.forget()
self.radiusOpt.manage()
class CreateAxesDialog(ModelessDialog):
title = "Define Axes"
help = "ContributedSoftware/structuremeas/structuremeas.html#define-axes"
provideStatus = True
statusPosition = "above"
MODE_HELICES, MODE_SELECTION = range(2)
def fillInUI(self, parent):
import Pmw, Tkinter
row = 0
Tkinter.Label(parent, text="Create axis for...").grid(row=row,
sticky='w')
row += 1
self.modeVar = Tkinter.IntVar(parent)
self.modeVar.set(self.MODE_HELICES)
f = Tkinter.Frame(parent)
f.grid(row=row, sticky='nsew')
row += 1
Tkinter.Radiobutton(f,
text="Each helix in:",
command=self._helixCB,
variable=self.modeVar,
value=self.MODE_HELICES).grid(row=0, column=0)
from chimera.widgets import MoleculeScrolledListBox
self.molList = MoleculeScrolledListBox(f,
listbox_selectmode='extended')
self.molList.grid(row=0, column=1, sticky="nsew")
parent.rowconfigure(1, weight=1)
parent.columnconfigure(0, weight=1)
f.rowconfigure(0, weight=1)
f.columnconfigure(1, weight=1)
f = Tkinter.Frame(parent)
f.grid(row=row, sticky='w')
row += 1
Tkinter.Radiobutton(f,
text="Selected atoms (axis name:",
command=self._selCB,
variable=self.modeVar,
value=self.MODE_SELECTION).grid(row=0, column=0)
self.axisNameVar = Tkinter.StringVar(parent)
self.axisNameVar.set("axis")
Tkinter.Entry(f, textvariable=self.axisNameVar,
width=10).grid(row=0, column=1)
Tkinter.Label(f, text=")").grid(row=0, column=2)
paramGroup = Pmw.Group(parent, tag_text="Axis Parameters")
paramGroup.grid(row=row, column=0)
row += 1
paramFrame = paramGroup.interior()
prow = 0
butFrame = Tkinter.Frame(paramFrame)
butFrame.grid(row=prow, column=0, columnspan=3)
prow += 1
self.massWeighting = Tkinter.IntVar(parent)
self.massWeighting.set(False)
self._mwButton = Tkinter.Checkbutton(butFrame,
command=self._mwCB,
text="Mass weighting",
variable=self.massWeighting)
self._mwButton.grid(row=0, column=0, sticky='w')
self._mwButton.grid_remove()
self.helixCorrection = Tkinter.IntVar(parent)
self.helixCorrection.set(True)
Tkinter.Checkbutton(butFrame,
text="Use helical correction",
command=self._hcCB,
variable=self.helixCorrection).grid(row=1,
column=0,
sticky='w')
self.replaceExisting = Tkinter.IntVar(parent)
self.replaceExisting.set(True)
Tkinter.Checkbutton(butFrame,
text="Replace existing axes",
variable=self.replaceExisting).grid(row=2,
column=0,
sticky='w')
f = Tkinter.Frame(paramFrame)
f.grid(row=prow, column=0, columnspan=3)
prow += 1
from chimera.tkoptions import ColorOption, FloatOption
self.colorOpt = ColorOption(
f,
prow,
"Color",
None,
None,
balloon="Axis color. If No Color, then the axis"
" will be colored to match the structure")
Tkinter.Label(paramFrame, text="Radius:").grid(row=prow,
column=0,
rowspan=2)
self.fixedRadiusVar = Tkinter.IntVar(parent)
self.fixedRadiusVar.set(False)
Tkinter.Radiobutton(paramFrame,
variable=self.fixedRadiusVar,
padx=0,
value=False).grid(row=prow, column=1)
Tkinter.Label(paramFrame,
text="average axis-atom distance").grid(row=prow,
column=2,
sticky='w')
Tkinter.Radiobutton(paramFrame,
variable=self.fixedRadiusVar,
padx=0,
value=True).grid(row=prow + 1, column=1)
f = Tkinter.Frame(paramFrame)
f.grid(row=prow + 1, column=2, sticky='w')
self.radiusOpt = FloatOption(f,
0,
"angstroms",
prefs[AXIS_RADIUS],
None,
min=0.01)
def Apply(self):
from chimera import UserError
if self.replaceExisting.get():
axisManager.removeAxes(axisManager.axes)
kw = {}
kw['color'] = self.colorOpt.get()
if self.fixedRadiusVar.get():
kw['radius'] = prefs[AXIS_RADIUS] = self.radiusOpt.get()
kw['massWeighting'] = self.massWeighting.get() \
and self.modeVar.get() == self.MODE_SELECTION
kw['helicalCorrection'] = self.helixCorrection.get() \
and not kw['massWeighting']
if kw['helicalCorrection']:
replyobj.info("Creating axes with helical correction\n")
elif kw['massWeighting']:
replyobj.info("Creating axes with mass weighting\n")
else:
replyobj.info("Creating axes\n")
if self.modeVar.get() == self.MODE_HELICES:
mols = self.molList.getvalue()
if not mols:
self.enter()
raise UserError("No molecules chosen")
created = 0
for m in mols:
createHelices(m, **kw)
else:
selAtoms = selection.currentAtoms()
if len(selAtoms) < 3:
self.enter()
raise UserError("Need to select at least three"
" atoms to define an axis")
axisManager.createAxis(self.axisNameVar.get().strip(), selAtoms,
**kw)
def _helixCB(self):
self._mwButton.grid_remove()
def _hcCB(self):
if self.helixCorrection.get() and self.massWeighting.get():
self.massWeighting.set(False)
def _mwCB(self):
if self.massWeighting.get() and self.helixCorrection.get():
self.helixCorrection.set(False)
def _selCB(self):
self._mwButton.grid()
class HBDialog(ModelessDialog):
title = "H-Bond Parameters"
buttons = ("OK", "Apply", "Close")
default = 'OK'
help = "ContributedSoftware/findhbond/findhbond.html"
def fillInUI(self, parent):
# inter/intra-model; slop; colors; models; replace current;
# label
# for removing labels in subsequent passes...
# (use a selection so I don't have to track model closures)
self.labelSelection = ItemizedSelection()
self.labelMap = {}
self.callbacks = []
row = 0
cols = 3
self.bondColorOption = ColorOption(parent, row, 'H-bond color',
prefs[BOND_COLOR], None, noneOkay=0)
class HBLineWidthOption(LineWidthOption):
name = "Line width"
balloon = "Width of pseudobonds (in pixels)"
default = prefs[LINE_WIDTH]
self.lineWidth = HBLineWidthOption(parent, row+1,
None, None, None, width=4, sticky='w')
self.findMode = Pmw.RadioSelect(parent,
buttontype='radiobutton', labelpos='n', pady=0,
orient='vertical', label_text='Find these bonds:',
hull_borderwidth=2, hull_relief='ridge')
self.findMode.add('inter-model')
self.findMode.add('intra-model')
self.findMode.add('both')
self.findMode.invoke('both')
self.findMode.grid(row=row, column=2, rowspan=2)
row += 2
self.relaxParams = RelaxParams(parent, prefs[RELAX_COLOR])
self.relaxParams.grid(row=row, columnspan=cols,
sticky='nsew', padx=2)
row += 1
self.restrictModels = Tkinter.IntVar(parent)
self.restrictModels.set(0)
self.modelFrame = Tkinter.Frame(parent)
self.molTexts = ["Restrict to models...", "Restrict to models:"]
self.restrictCheckBox = Tkinter.Checkbutton(self.modelFrame,
variable=self.restrictModels,
text=self.molTexts[0], command=self._restrictModelsCB)
self.restrictCheckBox.grid(row=0, column=0)
from chimera.widgets import MoleculeScrolledListBox
self.molList = MoleculeScrolledListBox(self.modelFrame,
listbox_selectmode="extended")
self.modelFrame.rowconfigure(0, weight=1)
self.modelFrame.grid(row=row, column=0, columnspan=cols,
sticky="nsw")
parent.rowconfigure(row, weight=1)
row += 1
self.inSelection = Tkinter.IntVar(parent)
self.inSelection.set(0)
f = Tkinter.Frame(parent)
f.grid(row=row, column=0, columnspan=cols, sticky="w")
Tkinter.Checkbutton(f, variable=self.inSelection,
text="Only find H-bonds with",
command=self._useSelChange).grid(
row=0, column=0, sticky="e")
self.selType = Pmw.OptionMenu(f, items=["at least one end",
"exactly one end", "both ends"], initialitem=0,
menubutton_state="disabled", labelpos="e",
label_text="selected")
self.selType.grid(row=0, column=1, sticky="w")
row += 1
self.revealEnds = Tkinter.IntVar(parent)
self.revealEnds.set(0)
Tkinter.Checkbutton(parent, variable=self.revealEnds,
text="If endpoint atom hidden, show endpoint residue"
).grid(row=row, column=0, columnspan=cols, sticky="w")
row += 1
self.retainCurrent = Tkinter.IntVar(parent)
self.retainCurrent.set(0)
Tkinter.Checkbutton(parent, variable=self.retainCurrent,
text="Retain currently displayed H-bonds").grid(
row=row, column=0, columnspan=cols, sticky="w")
row += 1
self.interSubmodel = Tkinter.IntVar(parent)
self.interSubmodel.set(0)
# comment out the below since there seems to be no
# situations where cross-submodel-same-model hbonds
# are interesting. If reading pdbrun files occurs, this
# may change.
#Tkinter.Checkbutton(parent, variable=self.interSubmodel,
# text="Find H-bonds between submodels\n"
# "having same principal model number"
# ).grid(row=row, column=0, columnspan=cols, sticky="w")
#row += 1
self.writeFile = Tkinter.IntVar(parent)
self.writeFile.set(0)
Tkinter.Checkbutton(parent, variable=self.writeFile,
text="Write information to file").grid(row=row,
column=0, columnspan=cols, sticky="w")
self.fileName = None
row += 1
self.writeLog = Tkinter.IntVar(parent)
self.writeLog.set(0)
Tkinter.Checkbutton(parent, variable=self.writeLog,
text="Write information to reply log").grid(row=row,
column=0, columnspan=cols, sticky="w")
row += 1
def addCallback(self, callback):
self.callbacks.append(callback)
def Apply(self):
states = {}
for but in self.buttonWidgets.values():
states[but] = but.cget('state')
but.config(state='disabled')
try:
self._Apply()
finally:
for but, state in states.items():
but.config(state=state)
for cb in self.callbacks:
try:
cb()
except:
replyobj.reportException(
"H-bond callback function")
self.callbacks = []
def _Apply(self):
intramodel = intermodel = 1
cursel = self.findMode.getcurselection()
if cursel == 'inter-model':
intramodel = 0
elif cursel == 'intra-model':
intermodel = 0
distSlop = 0.0
angleSlop = 0.0
twoColors = False
relax = self.relaxParams.relaxConstraints
rc = self.relaxParams.relaxColor
if relax:
distSlop = self.relaxParams.relaxDist
angleSlop = self.relaxParams.relaxAngle
if self.relaxParams.useRelaxColor:
twoColors = True
prefs[RELAX_COLOR] = rc.rgba
if self.inSelection.get():
selRestrict = ["any", "cross", "both"][
self.selType.index(Pmw.SELECT)]
else:
selRestrict = None
lineWidth = self.lineWidth.get()
prefs[LINE_WIDTH] = lineWidth
bc = self.bondColorOption.get()
prefs[BOND_COLOR] = bc.rgba
if self.writeFile.get():
saveFile = '-'
else:
saveFile = None
if self.restrictModels.get():
models = self.molList.getvalue()
if not models:
raise ValueError, "No restriction models chosen"
else:
models = None
from base import createHBonds
createHBonds(models=models, intramodel=intramodel,
intermodel=intermodel, relax=relax, distSlop=distSlop,
angleSlop=angleSlop, twoColors=twoColors,
selRestrict=selRestrict, lineWidth=lineWidth,
saveFile=saveFile, log=self.writeLog.get(),
retainCurrent=self.retainCurrent.get(),
reveal=self.revealEnds.get(), color=bc, slopColor=rc)
def Close(self):
self.callbacks = []
ModelessDialog.Close(self)
def _restrictModelsCB(self):
restrict = self.restrictModels.get()
self.restrictCheckBox.config(text=self.molTexts[restrict])
if restrict:
self.molList.grid(row=0, column=1, sticky="ns")
else:
self.molList.grid_forget()
def _useSelChange(self):
if self.inSelection.get():
self.selType.component("menubutton").config(
state="normal")
else:
self.selType.component("menubutton").config(
state="disabled")
class RelaxParams(Pmw.Group):
def __init__(self, parent, relaxColor, colorOptions=True):
self._relaxConstraints = Tkinter.IntVar(parent)
self._relaxConstraints.set(True)
Pmw.Group.__init__(self, parent, ring_relief='ridge',
tag_pyclass=Tkinter.Checkbutton,
tag_text='Relax H-bond constraints',
tag_variable=self._relaxConstraints)
self._relaxLabel = Tkinter.Label(self.interior(),
text="Relax constraints by: ")
self._relaxLabel.grid(row=0, column=0, rowspan=2, sticky='e')
self._relaxDist = Pmw.EntryField(self.interior(),
labelpos='e', label_text='angstroms', validate={
'validator': 'real', 'min': 0.0 },
value=str(recDistSlop), entry_width=5)
self._relaxDist.grid(row=0, column=1, sticky='w')
self._relaxAngle = Pmw.EntryField(self.interior(),
labelpos='e', label_text='degrees', validate={
'validator': 'real', 'min': 0.0 },
value=str(recAngleSlop), entry_width=5)
self._relaxAngle.grid(row=1, column=1, sticky='w')
if not colorOptions:
return
self._useRelaxColor = Tkinter.IntVar(parent)
self._useRelaxColor.set(0)
f = Tkinter.Frame(self.interior())
f.grid(row=2, column=0, columnspan=2)
Tkinter.Checkbutton(f, text="Color H-bonds not meeting "
"precise criteria differently:",
variable=self._useRelaxColor).grid(row=0,
column=0, sticky='e')
self._relaxColor = ColorOption(f, 0, "", relaxColor, None,
startCol=1, noneOkay=0)
def enable(self):
self.configure(tag_state=Tkinter.NORMAL)
self._relaxLabel.config(state=Tkinter.NORMAL)
#self._relaxDist.config(entry_state=Tkinter.NORMAL,
# label_state=Tkinter.NORMAL)
#self._relaxAngle.config(entry_state=Tkinter.NORMAL,
# label_state=Tkinter.NORMAL)
# not sure why the above doesn't work, so:
for w in (self._relaxDist, self._relaxAngle):
for c in ('entry', 'label'):
wc = w.component(c)
wc.config(state=Tkinter.NORMAL)
# TODO: color
def disable(self):
self.configure(tag_state=Tkinter.DISABLED)
self._relaxLabel.config(state=Tkinter.DISABLED)
#self._relaxDist.config(entry_state=Tkinter.DISABLED,
# label_state=Tkinter.DISABLED)
#self._relaxAngle.config(entry_state=Tkinter.DISABLED,
# label_state=Tkinter.DISABLED)
# not sure why the above doesn't work, so:
for w in (self._relaxDist, self._relaxAngle):
for c in ('entry', 'label'):
wc = w.component(c)
wc.config(state=Tkinter.DISABLED)
# TODO: color
def __getattr__(self, attrName):
if attrName == "relaxConstraints":
return self._relaxConstraints.get()
if attrName == "relaxDist":
self._relaxDist.invoke()
if not self._relaxDist.valid():
from chimera import UserError
raise UserError('Invalid "relaxed" distance'
' value; must be non-negative number')
return float(self._relaxDist.getvalue())
if attrName == "relaxAngle":
self._relaxAngle.invoke()
if not self._relaxAngle.valid():
from chimera import UserError
raise UserError('Invalid "relaxed" angle'
' value; must be non-negative number')
return float(self._relaxAngle.getvalue())
if attrName == "useRelaxColor":
return self._useRelaxColor.get()
if attrName == "relaxColor":
return self._relaxColor.get()
return Pmw.Group.__getattr__(self, attrName)
def __setattr__(self, attrName, value):
if attrName == "relaxConstraints":
return self.__dict__['_relaxConstraints'].set(value)
if attrName == "relaxDist":
self.___dict__['relaxDist'].setvalue(str(value))
if attrName == "relaxAngle":
self.___dict__['relaxAngle'].setvalue(str(value))
if attrName == "useRelaxColor":
return self.___dict__['useRelaxColor'].set(value)
if attrName == "relaxColor":
return self.___dict__['relaxColor'].set(value)
self.__dict__[attrName] = value