def body(self, guiFrame): guiFrame.grid_columnconfigure(0, weight=1) guiFrame.grid_rowconfigure(1, weight=1) frame = LabelFrame(guiFrame, text='Options') frame.grid(row=0,column=0,sticky='ew') frame.grid_columnconfigure(5, weight=1) # Choose type of symmetry set to define or change (if allready present in the model) self.molLabel = Label(frame, text='Symmetry Operator:') self.molLabel.grid(row=0,column=2,sticky='w') self.symmCodePulldown = PulldownMenu(frame, callback=self.setSymmCode, entries=['NCS','C2','C3','C5'], do_initial_callback=False) self.symmCodePulldown.grid(row=0,column=3,sticky='w') frame = LabelFrame(guiFrame, text='Symmetry Operations') frame.grid(row=1,column=0,sticky='nsew') frame.grid_columnconfigure(0, weight=1) frame.grid_rowconfigure(0, weight=1) self.molSysPulldown = PulldownMenu(self, callback=self.setMolSystem, do_initial_callback=False) self.chainSelect = MultiWidget(self, CheckButton, callback=self.setChains, minRows=0, useImages=False) self.segStartEntry = IntEntry(self, returnCallback=self.setSegStart, width=6) self.segLengthEntry = IntEntry(self, returnCallback=self.setSegLength, width=6) headings = ['#','Symmetry\noperator','Mol System','Chains','Start\nresidue','Segment\nlength'] editWidgets = [None, None, self.molSysPulldown, self.chainSelect, self.segStartEntry, self.segLengthEntry] editGetCallbacks = [None, None, self.getMolSystem, self.getChains, self.getSegStart, self.getSegLength] editSetCallbacks = [None, self.setSymmCode, self.setMolSystem, self.setChains, self.setSegStart, self.setSegLength] self.symmetryMatrix = ScrolledMatrix(frame,headingList=headings, callback=self.selectSymmetry, editWidgets=editWidgets, editGetCallbacks=editGetCallbacks, editSetCallbacks=editSetCallbacks) self.symmetryMatrix.grid(row=0,column=0,sticky='nsew') texts = ['Add Symmetry Set','Remove Symmetry Set'] commands = [self.addSymmetrySet,self.removeSymmetrySet] self.buttonList = createDismissHelpButtonList(guiFrame, texts=texts, commands=commands, expands=True) self.buttonList.grid(row=2,column=0,sticky='ew') self.updateMolPartners() self.notify(self.registerNotify) #Temporary report of parameters print self.molSystem print self.molecules print self.symmetrySet print self.symmetryOp print self.symmetryCode
def body(self, guiFrame): guiFrame.grid_columnconfigure(1, weight=1) guiFrame.grid_rowconfigure(1, weight=1) self.usernameEntry = LabeledEntry(guiFrame, 'username') self.usernameEntry.grid(row=0) self.passwordEntry = LabeledEntry(guiFrame, 'password', show="*") self.passwordEntry.grid(row=1) texts = ['Upload'] commands = [self.serverUpload] buttonList = createDismissHelpButtonList(guiFrame, texts=texts, commands=commands, expands=True) buttonList.grid(row=2)
def body(self, guiFrame): self.geometry('700x500') guiFrame.expandGrid(1, 0) row = 0 # TOP LEFT FRAME frame = LabelFrame(guiFrame, text='Options') frame.grid(row=row, column=0, sticky='nsew') frame.columnconfigure(5, weight=1) label = Label(frame, text='Chain') label.grid(row=0, column=0, sticky='w') self.chainPulldown = PulldownList( frame, callback=self.changeChain, tipText='Choose the molecular system chain to make predictions for' ) self.chainPulldown.grid(row=0, column=1, sticky='w') label = Label(frame, text='Shift List') label.grid(row=0, column=2, sticky='w') self.shiftListPulldown = PulldownList( frame, callback=self.changeShiftList, tipText='Select the shift list to take input chemical shifts from') self.shiftListPulldown.grid(row=0, column=3, sticky='w') row += 1 # BOTTOM LEFT FRAME frame = LabelFrame(guiFrame, text='Secondary Structure Predictions') frame.grid(row=row, column=0, sticky='nsew') frame.grid_columnconfigure(0, weight=1) frame.grid_rowconfigure(0, weight=1) tipTexts = ('Residue number in chain', 'Residue type code', 'Current stored secondary structure code', 'Predicted secondary structure code') + SEC_STRUC_TIPS headingList = ('Res\nNum', 'Res\nType', 'Current\nSS', 'Predicted\nSS') + SEC_STRUC_KEYS n = len(headingList) editWidgets = n * [None] editGetCallbacks = n * [None] editSetCallbacks = n * [None] self.predictionMatrix = ScrolledMatrix( frame, headingList=headingList, tipTexts=tipTexts, editWidgets=editWidgets, editGetCallbacks=editGetCallbacks, editSetCallbacks=editSetCallbacks) self.predictionMatrix.grid(row=0, column=0, sticky='nsew') row += 1 tipTexts = [ 'Run the D2D method to predict secondary structure', 'Store the secondary structure predictions in the CCPN project' ] texts = [ 'Run D2D Prediction!', 'Commit Predicted\nSecondary Structure' ] commands = [self.runD2D, self.storeSecondaryStructure] self.buttonList = createDismissHelpButtonList(guiFrame, texts=texts, commands=commands, help_url=self.help_url, expands=True, tipTexts=tipTexts) self.buttonList.grid(row=row, column=0, columnspan=2, sticky='ew') self.update() self.notify(self.registerNotify)
def body(self, guiFrame): guiFrame.grid_columnconfigure(0, weight=1) guiFrame.grid_rowconfigure(0, weight=1) options = ['Parameters','Restraints','Alignment Media & Tensors','About Meccano'] tabbedFrame = TabbedFrame(guiFrame, options=options) tabbedFrame.grid(row=0, column=0, sticky='nsew') frameA, frameB, frameC, frameD = tabbedFrame.frames frameA.grid_columnconfigure(1, weight=1) frameA.grid_rowconfigure(13, weight=1) frameB.grid_columnconfigure(1, weight=1) frameB.grid_rowconfigure(1, weight=1) frameC.grid_columnconfigure(0, weight=1) frameC.grid_rowconfigure(1, weight=1) frameD.grid_columnconfigure(0, weight=1) frameD.grid_rowconfigure(0, weight=1) texts = ['Run MECCANO!'] commands = [self.runMeccano] bottomButtons = createDismissHelpButtonList(guiFrame, texts=texts, commands=commands, expands=True) bottomButtons.grid(row=1, column=0, sticky='ew') if not Meccano: bottomButtons.buttons[0].disable() # Parameters row = 0 label = Label(frameA, text='Calculation Run:') label.grid(row=row,column=0,sticky='w') self.runPulldown = PulldownList(frameA, callback=self.selectRun) self.runPulldown.grid(row=row,column=1,sticky='w') row += 1 label = Label(frameA, text='Shift List (for CO):') label.grid(row=row,column=0,sticky='w') self.shiftListPulldown = PulldownList(frameA, callback=self.selectShiftList) self.shiftListPulldown.grid(row=row,column=1,sticky='w') row += 1 label = Label(frameA, text='Keep Copy of Used Shifts:') label.grid(row=row,column=0,sticky='w') self.toggleCopyShifts = CheckButton(frameA) self.toggleCopyShifts.grid(row=row,column=1,sticky='w') self.toggleCopyShifts.set(True) row += 1 label = Label(frameA, text='Molecular System:') label.grid(row=row,column=0,sticky='w') self.molSystemPulldown = PulldownList(frameA, callback=self.selectMolSystem) self.molSystemPulldown.grid(row=row,column=1,sticky='w') row += 1 label = Label(frameA, text='Chain:') label.grid(row=row,column=0,sticky='w') self.chainPulldown = PulldownList(frameA, callback=self.selectChain) self.chainPulldown.grid(row=row,column=1,sticky='w') self.chainPulldown.bind('<Leave>', self.updateRunParams) row += 1 label = Label(frameA, text='First Peptide Plane:') label.grid(row=row,column=0,sticky='w') self.firstResEntry = IntEntry(frameA, text=None, width=8) self.firstResEntry.grid(row=row,column=1,sticky='w') self.firstResEntry.bind('<Leave>', self.updateRunParams) row += 1 label = Label(frameA, text='Last Peptide Plane:') label.grid(row=row,column=0,sticky='w') self.lastResEntry = IntEntry(frameA, text=None, width=8) self.lastResEntry.grid(row=row,column=1,sticky='w') self.lastResEntry.bind('<Leave>', self.updateRunParams) row += 1 label = Label(frameA, text='Max Num Optimisation Steps:') label.grid(row=row,column=0,sticky='w') self.maxOptStepEntry = IntEntry(frameA, text=500, width=8) self.maxOptStepEntry.grid(row=row,column=1,sticky='w') self.maxOptStepEntry.bind('<Leave>', self.updateRunParams) row += 1 label = Label(frameA, text='Num Optimisation Peptide Planes:') label.grid(row=row,column=0,sticky='w') self.numOptPlaneEntry = IntEntry(frameA, text=2, width=8) self.numOptPlaneEntry.grid(row=row,column=1,sticky='w') self.numOptPlaneEntry.bind('<Leave>', self.updateRunParams) row += 1 label = Label(frameA, text='Min Num Optimisation Hits:') label.grid(row=row,column=0,sticky='w') self.numOptHitsEntry = IntEntry(frameA, text=5, width=8) self.numOptHitsEntry.grid(row=row,column=1,sticky='w') self.numOptHitsEntry.bind('<Leave>', self.updateRunParams) row += 1 label = Label(frameA, text='File Name Prefix:') label.grid(row=row,column=0,sticky='w') self.pdbFileEntry = Entry(frameA, text='Meccano', width=8) self.pdbFileEntry.grid(row=row,column=1,sticky='w') self.pdbFileEntry.bind('<Leave>', self.updateRunParams) row += 1 label = Label(frameA, text='Write Output File (.out):') label.grid(row=row,column=0,sticky='w') self.toggleWriteOutFile = CheckButton(frameA) self.toggleWriteOutFile.grid(row=row,column=1,sticky='w') self.toggleWriteOutFile.set(False) self.toggleWriteOutFile.bind('<Leave>', self.updateRunParams) row += 1 label = Label(frameA, text='Write PDB File (.pdb):') label.grid(row=row,column=0,sticky='w') self.toggleWritePdbFile = CheckButton(frameA) self.toggleWritePdbFile.grid(row=row,column=1,sticky='w') self.toggleWritePdbFile.set(True) self.toggleWritePdbFile.bind('<Leave>', self.updateRunParams) if not Meccano: row += 1 label = Label(frameA, text='The Meccano executable is not available (it needs to be compiled)', fg='red') label.grid(row=row,column=0,columnspan=2,sticky='w') # Restraints label = Label(frameB, text='Constraint Set:') label.grid(row=0,column=0,sticky='w') self.constraintSetPulldown = PulldownList(frameB, callback=self.selectConstraintSet) self.constraintSetPulldown.grid(row=0,column=1,sticky='w') self.alignMediumPulldown= PulldownList(self, callback=self.setAlignMedium) headingList = ['#','List Type','Use?','Alignment\nMedium','Num\nRestraints'] editWidgets = [None,None,None,self.alignMediumPulldown,None] editGetCallbacks = [None,None,self.toggleUseRestraints,self.getAlignMedium,None] editSetCallbacks = [None,None,None,self.setAlignMedium,None] self.restraintMatrix = ScrolledMatrix(frameB, headingList=headingList, editSetCallbacks=editSetCallbacks, editGetCallbacks=editGetCallbacks, editWidgets=editWidgets, callback=None, multiSelect=True) self.restraintMatrix.grid(row=1,column=0,columnspan=2,sticky='nsew') # Alignment Media div = LabelDivider(frameC,text='Alignment Media') div.grid(row=0,column=0,sticky='ew') self.mediumNameEntry = Entry(self, returnCallback=self.setMediumName) self.mediumDetailsEntry = Entry(self, returnCallback=self.setMediumDetails) headingList = ['#','Name','Details','Static Tensor','Dynamic Tensor'] editWidgets = [None, self.mediumNameEntry, self.mediumDetailsEntry, None, None] editGetCallbacks = [None, self.getMediumName, self.getMediumDetails, None, None] editSetCallbacks = [None, self.setMediumName, self.setMediumDetails, None, None] self.mediaMatrix = ScrolledMatrix(frameC, headingList=headingList, editSetCallbacks=editSetCallbacks, editGetCallbacks=editGetCallbacks, editWidgets=editWidgets, callback=self.selectAlignMedium, multiSelect=True) self.mediaMatrix.grid(row=1,column=0,sticky='nsew') texts = ['Add Alignment medium','Remove Alignment Medium'] commands = [self.addAlignMedium,self.removeAlignMedium] buttonList = ButtonList(frameC, texts=texts, commands=commands, expands=True) buttonList.grid(row=2,column=0,sticky='nsew') self.editAxialEntry = FloatEntry(self, returnCallback=self.setAxial) self.editRhombicEntry = FloatEntry(self, returnCallback=self.setRhombic) self.editAlphaEulerEntry = FloatEntry(self, returnCallback=self.setEulerAlpha) self.editBetaEulerEntry = FloatEntry(self, returnCallback=self.setEulerBeta) self.editGammaEulerEntry = FloatEntry(self, returnCallback=self.setEulerGamma) div = LabelDivider(frameC,text='Alignment Tensors') div.grid(row=3,column=0,sticky='ew') headingList = ['Type', u'Axial (\u03B6)',u'Rhombic (\u03B7)', u'Euler \u03B1',u'Euler \u03B2',u'Euler \u03B3'] editWidgets = [None,self.editAxialEntry, self.editRhombicEntry,self.editAlphaEulerEntry, self.editBetaEulerEntry,self.editGammaEulerEntry] editSetCallbacks = [None,self.setAxial,self.setRhombic, self.setEulerAlpha,self.setEulerBeta,self.setEulerGamma] editGetCallbacks = [None,self.getAxial,self.getRhombic, self.getEulerAlpha,self.getEulerBeta,self.getEulerGamma] self.tensorMatrix = ScrolledMatrix(frameC, maxRows=2, headingList=headingList, editSetCallbacks=editSetCallbacks, editGetCallbacks=editGetCallbacks, editWidgets=editWidgets, callback=self.selectTensor, multiSelect=True) self.tensorMatrix.grid(row=4,column=0,sticky='nsew') texts = ['Add Static Tensor','Add Dynamic Tensor','Remove Tensor'] commands = [self.addStaticTensor,self.addDynamicTensor,self.removeTensor] buttonList = ButtonList(frameC,texts=texts, commands=commands, expands=True) buttonList.grid(row=5,column=0,sticky='ew') # About label = Label(frameD, text='About Meccano...') label.grid(row=0,column=0,sticky='w') # self.geometry('500x400') self.updateShiftLists() self.updateMolSystems() self.updateResidueRanges() self.updateConstraintSets() self.updateAlignMedia() self.updateRuns()
def body(self, guiFrame): self.geometry('700x500') guiFrame.expandGrid(1, 0) row = 0 # TOP LEFT FRAME frame = LabelFrame(guiFrame, text='Options') frame.grid(row=row, column=0, sticky='nsew') frame.columnconfigure(7, weight=1) label = Label(frame, text='Chain') label.grid(row=0, column=0, sticky='w') self.chainPulldown = PulldownList( frame, callback=self.changeChain, tipText='Choose the molecular system chain to make predictions for' ) self.chainPulldown.grid(row=0, column=1, sticky='w') label = Label(frame, text='Shift List') label.grid(row=0, column=2, sticky='w') self.shiftListPulldown = PulldownList( frame, callback=self.changeShiftList, tipText='Select the shift list to take input chemical shifts from') self.shiftListPulldown.grid(row=0, column=3, sticky='w') label = Label(frame, text='Type') label.grid(row=0, column=4, sticky='w') self.scriptPulldown = PulldownList( frame, texts=SCRIPT_TEXTS, callback=self.changeScript, tipText='Select the algorithm script for this chain') self.scriptPulldown.grid(row=0, column=5, sticky='w') self.pHLabel = Label(frame, text='pH') self.pHLabel.grid(row=0, column=6, sticky='w') self.pHPulldown = PulldownList( frame, texts=SCRIPT_PHS, tipText='Select the pH to make the prediction for') self.pHPulldown.grid(row=0, column=7, sticky='w') row += 1 # BOTTOM LEFT FRAME frame = LabelFrame(guiFrame, text='Chemical Shift Predictions') frame.grid(row=row, column=0, sticky='nsew') frame.grid_columnconfigure(0, weight=1) frame.grid_rowconfigure(0, weight=1) tipTexts = [ 'Residue number in chain', 'Residue type code', 'Atom name', 'Actual shift (first one it finds for atom in chosen shiftList)', 'CamCoil predicted shift', 'Predicted - Actual' ] headingList = [ 'Res\nNum', 'Res\nType', 'Atom\nName', 'Actual\nShift', 'Predicted\nShift', 'Difference' ] n = len(headingList) editWidgets = n * [None] editGetCallbacks = n * [None] editSetCallbacks = n * [None] self.predictionMatrix = ScrolledMatrix( frame, headingList=headingList, tipTexts=tipTexts, editWidgets=editWidgets, editGetCallbacks=editGetCallbacks, editSetCallbacks=editSetCallbacks) self.predictionMatrix.grid(row=0, column=0, sticky='nsew') row += 1 tipTexts = [ 'Run the CamCoil method to predict chemical shifts from sequence' ] texts = ['Run CamCoil Prediction!'] commands = [self.runCamCoil] self.buttonList = createDismissHelpButtonList(guiFrame, texts=texts, commands=commands, help_url=self.help_url, expands=True, tipTexts=tipTexts) self.buttonList.grid(row=row, column=0) self.update() self.notify(self.registerNotify)
def __init__(self, parent, dangleGui, project=None, *args, **kw): self.guiParent = parent self.dangleGui = dangleGui self.dangleDir = None self.dangleChain = None self.dangleResidue = None #self.outDir = OUTDIR self.row = None self.col = None self.project = project self.nmrProject = None self.colorScheme = 'red' self.chain = None self.shiftList = None self.dangleStore = False # Not None self.constraintSet = None self.ensemble = None Frame.__init__(self, parent=parent) self.grid_columnconfigure(0, weight=1) self.grid_rowconfigure(1, weight=1) row = 0 # TOP LEFT FRAME frame = LabelFrame(self, text='Options') frame.grid(row=row, column=0, sticky='nsew') frame.columnconfigure(5, weight=1) label = Label(frame, text='Chain') label.grid(row=0, column=0, sticky='w') self.chainPulldown = PulldownList( frame, callback=self.changeChain, tipText='Choose the molecular system chain to make predictions for' ) self.chainPulldown.grid(row=0, column=1, sticky='w') label = Label(frame, text='Shift List') label.grid(row=0, column=2, sticky='w') self.shiftListPulldown = PulldownList( frame, callback=self.changeShiftList, tipText='Select the shift list to take input chemical shifts from') self.shiftListPulldown.grid(row=0, column=3, sticky='w') label = Label(frame, text='Max No. of Islands:') label.grid(row=0, column=4, sticky='w') sizes = range(10) texts = [str(s) for s in sizes] + [ 'Do not reject', ] self.rejectPulldown = PulldownList( frame, texts=texts, objects=sizes + [ None, ], tipText= 'Select the maximum allowed number of disontinuous prediction islands' ) self.rejectPulldown.set(DEFAULT_MAX_ISLANDS) # Actual value not index self.rejectPulldown.grid(row=0, column=5, sticky='w') label = Label(frame, text='Dangle Run:') label.grid(row=1, column=0, sticky='w') self.dangleStorePulldown = PulldownList( frame, callback=self.changeDangleStore, tipText='Select a run number to store DANGLE results within') self.dangleStorePulldown.grid(row=1, column=1, sticky='w') label = Label(frame, text='Ensemble:') label.grid(row=1, column=2, sticky='w') self.ensemblePulldown = PulldownList( frame, callback=self.changeEnsemble, tipText= 'Select the structure ensemble for superimposition of angle values on the GLE plots' ) self.ensemblePulldown.grid(row=1, column=3, sticky='w') label = Label(frame, text='Restraint Set:') label.grid(row=1, column=4, sticky='w') self.constrSetPulldown = PulldownList( frame, callback=self.changeConstraintSet, tipText= 'Select the CCPN restraint set to store DANGLE dihedral angle restraints in' ) self.constrSetPulldown.grid(row=1, column=5, sticky='w') # TOP RIGHT FRAME outerFrame = Frame(self) outerFrame.grid(row=row, column=1, rowspan=2, sticky='nsew') outerFrame.rowconfigure(0, weight=1) outerFrame.columnconfigure(0, weight=1) frame = LabelFrame(outerFrame, text='Global Likelihood Estimates') frame.grid(row=0, column=0, sticky='nsew') frame.rowconfigure(1, weight=1) frame.columnconfigure(2, weight=1) self.prevPlot = ViewRamachandranFrame(frame, relief='sunken', defaultPlot=False, width=180, height=180, bgColor=self.cget('bg'), nullColor='#000000', titleText='Previous', xTicks=False, yTicks=False, xLabel='', yLabel='', showCoords=False) self.prevPlot.grid(row=0, column=0, sticky='nsew') self.prevPlot.getPlotColor = self.getPlotColor self.nextPlot = ViewRamachandranFrame(frame, relief='sunken', defaultPlot=False, width=180, height=180, bgColor=self.cget('bg'), nullColor='#000000', titleText='Next', xTicks=False, yTicks=False, xLabel='', yLabel='', showCoords=False) self.nextPlot.grid(row=0, column=1, sticky='nsew') self.nextPlot.getPlotColor = self.getPlotColor self.plot = ViewRamachandranFrame(frame, relief='sunken', defaultPlot=False, width=360, height=360, bgColor=self.cget('bg'), nullColor='#000000') self.plot.grid(row=1, column=0, columnspan=2, sticky='nsew') self.plot.selectColor = '#FFB0B0' self.plot.getPlotColor = self.getPlotColor # BOTTOM RIGHT FRAME frame = Frame(outerFrame) frame.grid(row=1, column=0, sticky='nsew') frame.rowconfigure(0, weight=1) frame.columnconfigure(0, weight=1) texts = ('Previous', ' Next ') commands = (self.showPrevious, self.showNext) tipTexts = [ 'Show GLE plot of angle predictions for previous residue in chain', 'Show GLE plot of angle predictions for next residue in chain' ] buttonList = ButtonList(frame, texts, commands, tipTexts=tipTexts) buttonList.grid(row=0, column=0, sticky='nsew') row += 1 # BOTTOM LEFT FRAME frame = LabelFrame(self, text='Dihedral Angle Predictions') frame.grid(row=row, column=0, sticky='nsew') frame.grid_columnconfigure(0, weight=1) frame.grid_rowconfigure(0, weight=1) self.floatEntry = FloatEntry(self, text='', returnCallback=self.setFloatEntry, width=10, formatPlaces=9) tipTexts = [ 'Residue number in chain', 'Residue type code', 'Number of high scoring discontinuous angle predictions', 'Predicted secondary structure code', 'Predicted phi dihedral angle (CO-N-CA-CO)', 'Predicted psi dihedral angle (N-CA-CO-N)', 'Upper bound of phi angle prediction', 'Lower bound of phi angle prediction', 'Upper bound of psi angle prediction', 'Lower bound of phi angle prediction', 'Chemical shifts used in prediction' ] headingList = [ 'Res\nNum', 'Res\nType', 'No. of\nIslands', 'SS', 'Phi', 'Psi', 'Phi\nUpper', 'Phi\nLower', 'Psi\nUpper', 'Psi\nLower', 'Chemical Shifts' ] editWidgets = [ None, None, None, None, self.floatEntry, self.floatEntry, self.floatEntry, self.floatEntry, self.floatEntry, self.floatEntry ] editGetCallbacks = [ None, None, None, None, self.getFloatEntry, self.getFloatEntry, self.getFloatEntry, self.getFloatEntry, self.getFloatEntry, self.getFloatEntry ] editSetCallbacks = [ None, None, None, None, self.setFloatEntry, self.setFloatEntry, self.setFloatEntry, self.setFloatEntry, self.setFloatEntry, self.setFloatEntry ] self.predictionMatrix = ScrolledMatrix( frame, headingList=headingList, multiSelect=True, callback=self.selectCell, tipTexts=tipTexts, editWidgets=editWidgets, editGetCallbacks=editGetCallbacks, editSetCallbacks=editSetCallbacks) # doubleCallback=self.loadGLEs) self.predictionMatrix.grid(row=0, column=0, sticky='nsew') row += 1 tipTexts = [ 'Remove the predictions for the selected residues', 'Run the DANGLE method to predict dihedral angles and secondary structure', 'Delete the DANGLE results stored under the current run number', 'Store the angle predictions and bounds in a new CCPN dihedral angle restraint list', 'Store the secondary structure predictions in the CCPN project' ] texts = [ 'Clear\nSelected', 'Run Prediction!', 'Delete\nCurrent Run', 'Commit\nRestraints', 'Commit\nSecondary Structure' ] commands = [ self.clearSelected, self.runDangle, self.deleteRun, self.storeDihedralConstraints, self.storeSecondaryStructure ] self.buttonList = createDismissHelpButtonList( self, texts=texts, commands=commands, # dismiss_text='Quit', dismiss_cmd=self.dangleGui.quit, help_url=self.dangleGui.help_url, expands=True, tipTexts=tipTexts) self.buttonList.grid(row=row, column=0, columnspan=2, sticky='ew') self.buttonList.buttons[1].config(bg='#C0FFFF') self.updateProject(project) self.notify(dangleGui.registerNotify)
def body(self, guiFrame): guiFrame.grid_columnconfigure(0, weight=1) guiFrame.grid_rowconfigure(1, weight=1) frame = LabelFrame(guiFrame, text='Options') frame.grid(row=0, column=0, sticky='ew') frame.grid_columnconfigure(5, weight=1) label = Label(frame, text='MolSystem:') label.grid(row=0, column=0, sticky='w') self.molSystemPulldown = PulldownMenu(frame, callback=self.selectMolSystem) self.molSystemPulldown.grid(row=0, column=1, sticky='w') self.molLabel = Label(frame, text='Molecule:') self.molLabel.grid(row=0, column=2, sticky='w') self.moleculePulldown = PulldownMenu(frame, callback=self.selectMolecule) self.moleculePulldown.grid(row=0, column=3, sticky='w') label = Label(frame, text='Same Molecule Symmetry:') label.grid(row=0, column=4, sticky='w') self.molSelect = CheckButton(frame, callback=self.toggleSingleMolecule) self.molSelect.grid(row=0, column=5, sticky='w') self.molSelect.set(self.singleMolecule) frame = LabelFrame(guiFrame, text='Symmetry Operations') frame.grid(row=1, column=0, sticky='nsew') frame.grid_columnconfigure(0, weight=1) frame.grid_rowconfigure(0, weight=1) self.symmCodePulldown = PulldownMenu(self, callback=self.setSymmCode, do_initial_callback=False) self.segLengthEntry = IntEntry(self, returnCallback=self.setSegLength, width=6) self.setChainMulti = MultiWidget(self, CheckButton, callback=self.setChains, minRows=0, useImages=False) self.setSegmentMulti = MultiWidget(self, IntEntry, callback=self.setSegments, minRows=0, useImages=False) editWidgets = [ None, self.symmCodePulldown, self.segLengthEntry, self.setChainMulti, self.setSegmentMulti ] editGetCallbacks = [ None, self.getSymmCode, self.getSegLength, self.getChains, self.getSegments ] editSetCallbacks = [ None, self.setSymmCode, self.setSegLength, self.setChains, self.setSegments ] headings = [ '#', 'Symmetry\nType', 'Segment\nLength', 'Chains', 'Segment\nPositions' ] self.symmetryMatrix = ScrolledMatrix(frame, headingList=headings, callback=self.selectSymmetry, editWidgets=editWidgets, editGetCallbacks=editGetCallbacks, editSetCallbacks=editSetCallbacks) self.symmetryMatrix.grid(row=0, column=0, sticky='nsew') texts = ['Add Symmetry Op', 'Remove Symmetrey Op'] commands = [self.addSymmOp, self.removeSymmOp] buttonList = createDismissHelpButtonList(guiFrame, texts=texts, commands=commands, expands=True) buttonList.grid(row=2, column=0, sticky='ew') self.updateMolSystems() self.updateMolecules() self.updateSymmetriesAfter() self.notify(self.registerNotify)