def body(self, mainFrame):
mainFrame.grid_columnconfigure(1, weight=1, minsize=100)
mainFrame.config(borderwidth=5, relief='solid')
row = 0
label = Label(mainFrame, text="Frame (with sub-widgets):")
label.grid(row=row, column=0, sticky=Tkinter.E)
frame = Frame(mainFrame, relief='raised', border=2, background='#8080D0')
# Frame expands East-West
frame.grid(row=row, column=1, sticky=Tkinter.EW)
# Last column expands => Widgets pusted to the West
frame.grid_columnconfigure(3, weight=1)
# Label is within the sub frame
label = Label(frame, text='label ')
label.grid(row=0, column=0, sticky=Tkinter.W)
entry = Entry(frame, text='Entry', returnCallback=self.showWarning)
entry.grid(row=0, column=1, sticky=Tkinter.W)
self.check = CheckButton(frame, text='Checkbutton', selected=True, callback=self.updateObjects)
self.check.grid(row=0, column=2, sticky=Tkinter.W)
# stick a button to the East wall
button = Button(frame, text='Button', command=self.pressButton)
button.grid(row=0, column=3, sticky=Tkinter.E)
row += 1
label = Label(mainFrame, text="Text:")
label.grid(row=row, column=0, sticky=Tkinter.E)
self.textWindow = Text(mainFrame, text='Initial Text\n', width=60, height=5)
self.textWindow.grid(row=row, column=1, sticky=Tkinter.NSEW)
row += 1
label = Label(mainFrame, text="CheckButtons:")
label.grid(row=row, column=0, sticky=Tkinter.E)
entries = ['Alpha','Beta','Gamma','Delta']
selected = entries[2:]
self.checkButtons = CheckButtons(mainFrame, entries, selected=selected,select_callback=self.changedCheckButtons)
self.checkButtons.grid(row=row, column=1, sticky=Tkinter.W)
row += 1
label = Label(mainFrame, text="PartitionedSelector:")
label.grid(row=row, column=0, sticky=Tkinter.E)
labels = ['Bool','Int','Float','String']
objects = [type(0),type(1),type(1.0),type('a')]
selected = [type('a')]
self.partitionedSelector= PartitionedSelector(mainFrame, labels=labels,
objects=objects,
colors = ['red','yellow','green','#000080'],
callback=self.toggleSelector,selected=selected)
self.partitionedSelector.grid(row=row, column=1, sticky=Tkinter.EW)
row += 1
label = Label(mainFrame, text="PulldownMenu")
label.grid(row=row, column=0, sticky=Tkinter.E)
entries = ['Frodo','Pipin','Merry','Sam','Bill','Gandalf','Strider','Gimli','Legolas']
self.pulldownMenu = PulldownMenu(mainFrame, callback=self.selectPulldown,
entries=entries, selected_index=2,
do_initial_callback=False)
self.pulldownMenu.grid(row=row, column=1, sticky=Tkinter.W)
row += 1
label = Label(mainFrame, text="RadioButtons in a\nScrolledFrame.frame:")
label.grid(row=row, column=0, sticky=Tkinter.EW)
frame = ScrolledFrame(mainFrame, yscroll = False, doExtraConfig = True, width=100)
frame.grid(row=row, column=1, sticky=Tkinter.EW)
frame.grid_columnconfigure(0, weight=1)
self.radioButtons = RadioButtons(frame.frame, entries=entries,
select_callback=self.checkRadioButtons,
selected_index=1, relief='groove')
self.radioButtons.grid(row=0, column=0, sticky=Tkinter.W)
row += 1
label = Label(mainFrame, text="LabelFrame with\nToggleLabels inside:")
label.grid(row=row, column=0, sticky=Tkinter.E)
labelFrame = LabelFrame(mainFrame, text='Frame Title')
labelFrame.grid(row=row, column=1, sticky=Tkinter.NSEW)
labelFrame.grid_rowconfigure(0, weight=1)
labelFrame.grid_columnconfigure(3, weight=1)
self.toggleLabel1 = ToggleLabel(labelFrame, text='ScrolledMatrix', callback=self.toggleFrame1)
self.toggleLabel1.grid(row=0, column=0, sticky=Tkinter.W)
self.toggleLabel1.arrowOn()
self.toggleLabel2 = ToggleLabel(labelFrame, text='ScrolledGraph', callback=self.toggleFrame2)
self.toggleLabel2.grid(row=0, column=1, sticky=Tkinter.W)
self.toggleLabel3 = ToggleLabel(labelFrame, text='ScrolledCanvas', callback=self.toggleFrame3)
self.toggleLabel3.grid(row=0, column=2, sticky=Tkinter.W)
row += 1
mainFrame.grid_rowconfigure(row, weight=1)
label = Label(mainFrame, text="changing/shrinking frames:")
label.grid(row=row, column=0, sticky=Tkinter.E)
self.toggleRow = row
self.toggleFrame = Frame(mainFrame)
self.toggleFrame.grid(row=row, column=1, sticky=Tkinter.NSEW)
self.toggleFrame.grid_rowconfigure(0, weight=1)
self.toggleFrame.grid_columnconfigure(0, weight=1)
# option 1
self.intEntry = IntEntry(self, returnCallback = self.setNumber, width=8)
self.multiWidget = MultiWidget(self, Entry, options=None,
values=None, callback=self.setKeywords,
minRows=3, maxRows=5)
editWidgets = [None, None, self.intEntry, self.multiWidget]
editGetCallbacks = [None, None, self.getNumber, self.getKeywords]
editSetCallbacks = [None, None, self.setNumber, self.setKeywords]
headingList = ['Name','Color','Number','Keywords']
self.scrolledMatrix = ScrolledMatrix(self.toggleFrame, headingList=headingList,
editSetCallbacks=editSetCallbacks,
editGetCallbacks=editGetCallbacks,
editWidgets=editWidgets,
callback=self.selectObject,
multiSelect=False)
self.scrolledMatrix.grid(row=0, column=0, sticky=Tkinter.NSEW)
# option 2
self.scrolledGraph = ScrolledGraph(self.toggleFrame, width=400,
height=300, symbolSize=5,
symbols=['square','circle'],
dataColors=['#000080','#800000'],
lineWidths=[0,1] )
self.scrolledGraph.setZoom(1.3)
dataSet1 = [[0,0],[1,1],[2,4],[3,9],[4,16],[5,25]]
dataSet2 = [[0,0],[1,3],[2,6],[3,9],[4,12],[5,15]]
self.scrolledGraph.update(dataSets=[dataSet1,dataSet2],
xLabel = 'X axis label',
yLabel = 'Y axis label',
title = 'Main Title')
self.scrolledGraph.draw()
# option 3
self.scrolledCanvas = ScrolledCanvas(self.toggleFrame,relief = 'groove', borderwidth = 2, resizeCallback=None)
canvas = self.scrolledCanvas.canvas
font = 'Helvetica 10'
box = canvas.create_rectangle(10,10,150,200, outline='grey', fill='grey90')
line = canvas.create_line(0,0,200,200,fill='#800000', width=2)
text = canvas.create_text(120,50, text='Text', font=font, fill='black')
circle = canvas.create_oval(30,30,50,50,outline='#008000',fill='#404040',width=3)
row += 1
label = Label(mainFrame, text="FloatEntry:")
label.grid(row=row, column=0, sticky=Tkinter.E)
self.floatEntry = FloatEntry(mainFrame, text=3.14159265, returnCallback=self.floatEntryReturn)
self.floatEntry.grid(row=row, column=1, sticky=Tkinter.W)
row += 1
label = Label(mainFrame, text="Scale:")
label.grid(row=row, column=0, sticky=Tkinter.E)
self.scale = Scale(mainFrame, from_=10, to=90, value=50, orient=Tkinter.HORIZONTAL)
self.scale.grid(row=row, column=1, sticky=Tkinter.W)
row += 1
label = Label(mainFrame, text="Value Ramp:")
label.grid(row=row, column=0, sticky=Tkinter.E)
self.valueRamp = ValueRamp(mainFrame, self.valueRampCallback, speed = 1.5, delay = 50)
self.valueRamp.grid(row=row, column=1, sticky=Tkinter.W)
row += 1
label = Label(mainFrame, text="ButtonList:")
label.grid(row=row, column=0, sticky=Tkinter.E)
texts = ['Select File','Close','Quit']
commands = [self.selectFile, self.close, self.quit]
bottomButtons = ButtonList(mainFrame, texts=texts, commands=commands, expands=True)
bottomButtons.grid(row=row, column=1, sticky=Tkinter.EW)
self.protocol('WM_DELETE_WINDOW', self.quit)
def body(self, guiFrame):
self.geometry("775x500")
guiFrame.expandGrid(0,0)
options = ['1D Graphs','Amino Acid CA CB']
tipTexts = ['Simple graphs of how chemical shift values are distributed for a given atom type',
'Density plots of alpha a & beta carbon shift distributions for common amnio acids']
tabbedFrame = TabbedFrame(guiFrame, options=options, grid=(0,0), tipTexts=tipTexts)
frameA, frameB = tabbedFrame.frames
# # # # # # # 1D GRAPHS # # # # # # #
row = 0
MolType = self.project.metaclass.metaObjFromQualName('ccp.molecule.ChemComp.MolType')
molTypes = MolType.enumeration
molTypes.remove('other')
molTypes.remove('carbohydrate')
self.molType = 'protein'
ccpCodes = self.getCcpCodes(self.molType) or [None,]
self.ccpCode = 'Ala'
self.atomType = ATOM_TYPES[0]
self.atomNamesDict = {}
self.chemAtomNmrRefs = self.getCcpCodeData(self.ccpCode, atomType=self.atomType)
tipText = 'Which of the common bio-polymer types to show data for'
self.molTypeLabel = Label(frameA, text = 'Molecule Type:', grid=(row,0))
self.molTypePulldown = PulldownList(frameA, callback=self.changeMolType,
texts=molTypes, grid=(row,1), tipText=tipText)
tipText = 'Which residue code to show chemical shift distributions for'
self.ccpCodeLabel = Label(frameA, text = 'Residue Code:', grid=(row,2))
self.ccpCodePulldown = PulldownList(frameA, callback=self.changeCcpCode, texts=ccpCodes,
index=ccpCodes.index(self.ccpCode),
grid=(row,3), tipText=tipText)
tipText = 'Whether to show distributions for hydrogen atoms or other atoms'
self.atomTypeLabel = Label(frameA, text = 'Atom Type:', grid=(row,4))
self.atomTypePulldown = PulldownList(frameA, callback=self.changeAtomType,
texts=ATOM_TYPES, tipText=tipText,
grid=(row,5))
row += 1
tipText = 'The selection of atom name to display distributions for'
self.atomSelector = PartitionedSelector(frameA, self.toggleAtom,
tipText=tipText, maxRowObjects=20)
self.atomSelector.grid(row=row, column=0, columnspan=6, sticky='ew')
row += 1
frameA.expandGrid(row,5)
self.scrolledGraph = ScrolledGraph(frameA, symbolSize=2, reverseX=True, width=650,
height=300, title='Chemical shift distribution',
xLabel='Chemical shift', yLabel='proportion',
motionCallback=self.updateCrosshairs)
self.scrolledGraph.grid(row=row, column=0, columnspan=6, sticky='nsew')
# # # # # # # PROTEIN CA CB # # # # # # #
frameB.expandGrid(0,0)
matrix, ppms = self.getCaCbMatrix()
title = 'Amino Acid CA & CB Chemical Shifts'
self.cacbMatrix = ScrolledDensityMatrix(frameB, matrix=matrix, boxSize=14,
title=title,
xLabels=ppms, yLabels=AMINO_ACIDS,
borderColor='grey', zoom=1.0,
labelAxes=True, barPlot=False,
doLegend=False, grid=(0,0))
sdm = self.cacbMatrix
font = sdm.boldFont
x0, y0 = (470,370)
sdm.canvas.create_rectangle(x0+170,y0-6,x0+182,y0+6,fill='#4040A0',
outline=sdm.borderColor, width=1)
sdm.canvas.create_text(x0+200, y0, text='CA', font=font)
sdm.canvas.create_rectangle(x0+220,y0-6,x0+232,y0+6,fill='#A04040',
outline=sdm.borderColor, width=1)
sdm.canvas.create_text(x0+250, y0, text='CB', font=font)
sdm.canvas.create_text(x0, y0, text='13C PPM +/- 0.5', font=font)
# # # # # # # M A I N # # # # # # #
tipText = 'Whether to use chemical shift data from the BMRB (unfiltered) or RefDB sets'
label = Label(tabbedFrame.sideFrame, text='Source Database:', grid=(0,0), sticky='e')
index = SOURCE_NAMES.index(self.sourceName)
self.sourcePulldown = PulldownList(tabbedFrame.sideFrame, self.changeSource,
texts=SOURCE_NAMES, index=index,
grid=(0,1), sticky='e', tipText=tipText)
self.bottomButtons = UtilityButtonList(tabbedFrame.sideFrame, expands=True,
helpUrl=self.help_url, sticky='e',
grid=(0,2))
self.waiting = False
self.updateAfter()
for func in ('__init__', 'delete'):
self.registerNotify(self.updateAfter, 'ccp.nmr.NmrReference.NmrReferenceStore', func)
def body(self, guiFrame):
guiFrame.grid_columnconfigure(3, weight=1)
self.progressBar = TypingEnsemblePopup(self,total=100)
self.progressBar.close()
row = 0
label = Label(guiFrame, text=' Chain: ', grid=(row,0))
tipText = 'Selects which molecular chain the spin system residue types will be predicted for; determines which range of types are available'
self.chainPulldown = PulldownList(guiFrame, self.changeChain,
grid=(row,1), tipText=tipText)
tipText = 'Selects which shift list will be used as the source of chemical shift information to make the residue type predictions'
label = Label(guiFrame, text='Shift List: ', grid=(row,2))
self.shiftListPulldown = PulldownList(guiFrame, callback=self.setShiftList,
grid=(row,3), tipText=tipText)
utilButtons = UtilityButtonList(guiFrame, helpUrl=self.help_url)
utilButtons.grid(row=row, column=4, sticky='w')
row += 1
frame = LabelFrame(guiFrame, text='Options', grid=(row,0), gridSpan=(1,5))
frame.grid_columnconfigure(3, weight=1)
frow = 0
label = Label(frame, text='Keep existing types?',
grid=(frow,0), sticky='e')
tipText = 'Whether any existing residue type information should be preserved, when predicting the type of others'
self.preserveTypesSelect = CheckButton(frame, grid=(frow,1), selected=False,
callback=self.selectPreserveTypes,
tipText=tipText)
label = Label(frame, text='Assignment threshold: ',
grid=(frow,2), sticky='e')
tipText = 'The lower limit for the predicted residue type to be set with "Assign Types"; needs to be adjusted according to result statistics and amount of shift data'
self.thresholdEntry = FloatEntry(frame, text=self.threshold,
width=8, grid=(frow,3), tipText=tipText)
frow += 1
label = Label(frame, text='Ensemble size: ', grid=(frow,0), sticky='e')
tipText = 'The number of best scoring residue type mappings, from the Monte Carlo search, to use un the prediction'
self.ensembleEntry = IntEntry(frame,text=20,width=4,
grid=(frow,1), tipText=tipText)
label = Label(frame, text='Num Search Steps: ', grid=(frow,2), sticky='e')
tipText = 'The number of iterative steps that will be used in the Monte Carlo search of best spin system to residue type mappings'
self.stepsEntry = IntEntry(frame, text=100000, width=8,
tipText=tipText, grid=(frow,3))
frow += 1
label = Label(frame, text='Isotope shifts to consider:',
grid=(frow,0), gridSpan=(1,4))
frow += 1
self.isotopes = ['1H','13C']
isos = ['1H','13C','15N']
colors = [COLOR_DICT[x] for x in isos]
tipText = 'Selects which kinds of resonances, in terms of isotope, the residue type predictions will be made with'
self.isotopeCheckButtons = PartitionedSelector(frame, labels=isos,
objects=isos, colors=colors,
callback=self.toggleIsotope,
selected=self.isotopes,
grid=(frow,0),
gridSpan=(1,4), tipText=tipText)
row += 1
guiFrame.grid_rowconfigure(row, weight=1)
labelFrame = LabelFrame(guiFrame, text='Spin Systems', grid=(row,0), gridSpan=(1,5))
labelFrame.expandGrid(0,0)
tipTexts = ['The spin system serial number',
'The residue to which the spin system may currently be assigned',
'Set whether to include a particular spin system in the type predictions',
'The spin system to residue type match score for a prediction; higher (less negative) is better',
'The predicted types of residue that the spin system may be',
'The chemical shifts in the spin system that will be used in the analysis']
headingList = ['#','Residue','Use?','Score','Types','Shifts']
justifyList = ['center','center','center','center','center','left']
editWidgets = [None, None, None, None, None, None]
editGetCallbacks = [None, None, self.toggleInclude, None, None, None]
editSetCallbacks = [None, None, None, None, None, None]
self.scrolledMatrix = ScrolledMatrix(labelFrame, headingList=headingList,
justifyList=justifyList,
editSetCallbacks=editSetCallbacks,
editWidgets=editWidgets,
editGetCallbacks=editGetCallbacks,
callback=self.selectCell,
grid=(0,0), tipTexts=tipTexts)
row += 1
tipTexts = ['Execute the Monte Carlo search that will make the residue type predictions for the spin systems',
'Assign the residue type of spin systems with a unique type prediction and prediction score above the stated threshold',
'Show a residue type prediction for the selected spin system alone; only considers that spin system of shifts, not how all spin systems fit to the sequence',
'Show a table of peaks that are assigned to the resonances of the selected spin system']
texts = ['Run\nTyping','Assign\nTypes',
'Show Individual\nClassification',
'Show\nPeaks']
commands = [self.run, self.assign,
self.individualScore,
self.showPeaks]
bottomButtons = ButtonList(guiFrame, texts=texts, commands=commands,
grid=(row,0), gridSpan=(1,5), tipTexts=tipTexts)
self.runButton = bottomButtons.buttons[0]
self.assignButton = bottomButtons.buttons[1]
self.scoreButton = bottomButtons.buttons[2]
self.peaksButton = bottomButtons.buttons[2]
self.runButton.config(bg='#B0FFB0')
for func in ('__init__','delete'):
self.registerNotify(self.updateChains, 'ccp.molecule.MolSystem.Chain', func)
self.registerNotify(self.updateShiftLists, 'ccp.nmr.Nmr.ShiftList', func)
for func in ('__init__','delete','setCcpCode',
'setResidue','addResonance', 'setName',
'removeResonance','setResonances'):
self.registerNotify(self.updateSpinSystemsAfter, 'ccp.nmr.Nmr.ResonanceGroup', func)
self.updateChains()
self.updateShiftLists()
self.updateSpinSystems()
def body(self, guiFrame):
row = 0
frame = Frame(guiFrame, grid=(row, 0))
frame.expandGrid(None, 6)
label = Label(frame, text='Chain:', grid=(0, 0))
tipText = 'Selects which molecular chain to show residues and chemical shift values for'
self.chainPulldown = PulldownList(frame,
callback=self.changeChain,
grid=(0, 1),
tipText=tipText)
label = Label(frame, text=' Shift List:', grid=(0, 2))
tipText = 'Selects which shift list is used to derive the displayed chemical shift values'
self.shiftListPulldown = PulldownList(frame,
callback=self.changeShiftList,
grid=(0, 3),
tipText=tipText)
label = Label(frame, text=' List all shifts:', grid=(0, 4))
tipText = 'Sets whether to display all the chemical shifts for residues or just for the nominated atom types in columns'
self.otherShiftsSelect = CheckButton(frame,
callback=self.draw,
grid=(0, 5),
tipText=tipText)
utilButtons = UtilityButtonList(frame,
helpUrl=self.help_url,
grid=(0, 7))
row += 1
frame = Frame(guiFrame, grid=(row, 0))
frame.expandGrid(None, 6)
label = Label(frame, text=' 1-letter codes:', grid=(0, 0))
tipText = 'Whether to use 1-letter residue codes in the table, or otherwise Ccp/three-letter codes'
self.oneLetterSelect = CheckButton(frame,
callback=self.draw,
grid=(0, 1),
selected=False,
tipText=tipText)
precisions = [0.1, 0.01, 0.001]
texts = [str(t) for t in precisions]
label = Label(frame, text=' 1H precision:', grid=(0, 2))
tipText = 'Specifies how many decimal places to use when displaying 1H chemical shift values'
self.protonPrecisionSelect = PulldownList(frame,
texts=texts,
objects=precisions,
callback=self.draw,
index=1,
grid=(0, 3),
tipText=tipText)
label = Label(frame, text=' Other precision:')
label.grid(row=0, column=4, sticky='w')
tipText = 'Specifies how many decimal places to use when displaying chemical shift values for isotopes other than 1H'
self.otherPrecisionSelect = PulldownList(frame,
texts=texts,
objects=precisions,
callback=self.draw,
index=1,
grid=(0, 5),
tipText=tipText)
row += 1
frame = Frame(guiFrame, grid=(row, 0))
frame.expandGrid(None, 1)
label = Label(frame, text='Column\nAtoms:', grid=(0, 0))
tipText = 'Selects which kinds of atoms are displayed in aligned columns, or otherwise displayed at the end of the residue row (if "List all shifts" is set)'
self.optSelector = PartitionedSelector(frame,
self.toggleOpt,
tipText=tipText,
maxRowObjects=10,
grid=(0, 1),
sticky='ew')
options = ['H', 'N', 'C', 'CA', 'CB', 'CG']
self.optSelector.update(objects=options,
labels=options,
selected=['H', 'N', 'CA'])
row += 1
guiFrame.expandGrid(row, 0)
self.canvasFrame = ScrolledCanvas(guiFrame,
relief='groove',
width=650,
borderwidth=2,
resizeCallback=None,
grid=(row, 0),
padx=1,
pady=1)
self.canvas = self.canvasFrame.canvas
#self.canvas.bind('<Button-1>', self.toggleResidue)
row += 1
tipTexts = [
'Output information from the table as PostScript file, for printing etc.',
'Output information from the table as a whitespace separated plain text file'
]
commands = [self.makePostScript, self.exportText]
texts = ['Export PostScript', 'Export Text']
buttonList = ButtonList(guiFrame,
commands=commands,
texts=texts,
grid=(row, 0),
tipTexts=tipTexts)
chains = self.getChains()
if len(chains) > 1:
self.chain = chains[1]
else:
self.chain = None
self.updateShiftLists()
self.updateChains()
self.otherShiftsSelect.set(True)
self.update()
for func in ('__init__', 'delete'):
self.registerNotify(self.updateChains,
'ccp.molecule.MolSystem.Chain', func)
for func in ('__init__', 'delete'):
self.registerNotify(self.updateShiftLists, 'ccp.nmr.Nmr.ShiftList',
func)
def body(self, guiFrame):
guiFrame.grid_columnconfigure(0, weight=1)
row = 0
frame = Frame(guiFrame)
frame.grid(row=row, column=0, sticky='nsew')
frame.grid_columnconfigure(3, weight=1)
label = Label(frame, text='Shift List:')
label.grid(row=0, column=0, sticky='w')
self.shiftListPulldown = PulldownMenu(frame,
callback=self.setShiftList)
self.shiftListPulldown.grid(row=0, column=1, sticky='w')
label = Label(frame, text='Sequential Link Type:')
label.grid(row=0, column=2, sticky='w')
entries = ['-1', '-1,+1', '+1']
self.linkPulldown = PulldownMenu(frame,
callback=self.setLink,
entries=entries,
do_initial_callback=False,
selected_index=entries.index(
self.link))
self.linkPulldown.grid(row=0, column=3, sticky='w')
row += 1
frame = LabelFrame(guiFrame, text='Link Atoms:')
frame.grid(row=row, column=0, sticky='nsew')
frame.grid_columnconfigure(0, weight=1)
frame.grid_rowconfigure(0, weight=1)
labels = ['C', 'CA', 'CB', 'CG', 'CD', 'H', 'HA', 'HB', 'HG', 'HD']
selected = ['CA', 'CB']
self.atomSelector = PartitionedSelector(frame,
objects=labels,
labels=labels,
selected=selected,
toggledBg='#808080',
callback=self.changeAtoms,
maxRowObjects=10)
self.atomSelector.grid(row=0, column=0, sticky='ew')
row += 1
guiFrame.grid_rowconfigure(row, weight=1)
frame = LabelFrame(guiFrame, text='Predicted Residue Assignments')
frame.grid(row=row, column=0, sticky='nsew')
frame.grid_columnconfigure(0, weight=1)
frame.grid_rowconfigure(0, weight=1)
headingList = [
'#', 'Predicted\nResidue', 'Prob.', 'Links', 'CA', 'CA -1', 'CB',
'CB -1'
]
self.spinSystemMatrix = ScrolledMatrix(frame,
headingList=headingList,
callback=self.selectSpinSystem,
multiSelect=1)
self.spinSystemMatrix.grid(row=0, column=0, sticky='nsew')
row += 1
texts = ['Link Selected', 'Link All', 'Commit Assignment']
commands = [
self.linkSelectedSpinSystems, self.linkAllSpinSystems,
self.commitAssignments
]
buttonList = UtilityButtonList(guiFrame,
texts=texts,
commands=commands,
helpUrl=self.help_url)
buttonList.grid(row=row, column=0, sticky='ew')
self.buttons = buttonList.buttons
for func in ('__init__', 'delete'):
for clazz in ('ccp.nmr.Nmr.ShiftList', ):
self.registerNotify(self.updateShiftLists, clazz, func)
for func in ('__init__', 'delete', 'setNmrChains', 'setResidue',
'setResonances', 'addResonance', 'removeResonance'):
self.registerNotify(self.updateSpinSystemsAfter,
'ccp.nmr.Nmr.ResonanceGroup', func)
self.updateShiftLists()
def body(self, guiFrame):
guiFrame.grid_columnconfigure(0, weight=1)
row = 0
frame = LabelFrame(guiFrame, text='Options')
frame.grid(row=row, column=0, sticky='ew')
frame.grid_columnconfigure(1, weight=1)
frame.grid_rowconfigure(1, weight=1)
label = Label(frame, text='Window:')
label.grid(row=0, column=0, sticky='nw')
self.windowPulldown = PulldownList(frame, callback=self.changeWindow)
self.windowPulldown.grid(row=0, column=1, sticky='nw')
label = Label(frame, text='Multiplet Pattern:')
label.grid(row=1, column=0, columnspan=2, sticky='nw')
self.multipletButtons = PartitionedSelector(frame,
callback=self.setMultiplet,
radio=True)
self.multipletButtons.grid(row=2, column=0, columnspan=2, sticky='ew')
row += 1
frame = LabelFrame(guiFrame, text='Active Peak Lists')
frame.grid(row=row, column=0, sticky='ew')
frame.grid_columnconfigure(0, weight=1)
frame.grid_rowconfigure(0, weight=1)
headingList = [
'Experiment', 'Spectrum', 'List', 'Coupled Dims', 'Experiment Type'
]
self.peakListMatrix = ScrolledMatrix(frame,
headingList=headingList,
callback=None,
multiSelect=False)
self.peakListMatrix.grid(row=0, column=0, sticky='nsew')
row += 1
guiFrame.grid_rowconfigure(row, weight=1)
frame = LabelFrame(guiFrame, text='Multiplet Peak Clusters')
frame.grid(row=row, column=0, sticky='nsew')
frame.grid_columnconfigure(0, weight=1)
frame.grid_rowconfigure(0, weight=1)
headingList = [
'#', 'Main\nAssignment', 'Num\nPeaks', 'Coupling\nAssignment',
'Value', 'Value'
]
self.clusterMatrix = ScrolledMatrix(frame,
headingList=headingList,
callback=self.selectCluster,
multiSelect=True)
self.clusterMatrix.grid(row=0, column=0, sticky='nsew')
row += 1
texts = [
'Cluster Selected\nPeaks', 'Assign\nCouplings', 'List\nPeaks',
'Find\nPeaks', 'Delete\nClusters'
]
commands = [
self.clusterSelectedPeaks, self.assignCouplings, self.showPeaks,
self.findPeaks, self.deleteClusters
]
self.bottomButtons = UtilityButtonList(guiFrame,
texts=texts,
expands=True,
commands=commands,
helpUrl=self.help_url)
self.bottomButtons.grid(row=row, column=0, sticky='ew')
self.administerNotifiers(self.registerNotify)