def selectShiftList(self, shiftListSerial=None):
self.shiftList = None
shiftLists = list(self.ccpnProject.currentNmrProject.findAllMeasurementLists(className='ShiftList'))
if shiftLists:
if len(shiftLists) == 1:
self.shiftList = shiftLists[0]
elif shiftListSerial != None:
self.shiftList = self.ccpnProject.currentNmrProject.findFirstMeasurementList(className='ShiftList',serial=shiftListSerial)
if not self.shiftList:
(selectionList,selectionDict) = createSelection(shiftLists)
interaction = self.multiDialog.SelectionList(
self.guiParent,
selectionList,
selectionDict = selectionDict,
title = "Project '%s': " % self.ccpnProject.name + 'Select shift list',
text = "Existing shift lists:"
)
if interaction.isSelected:
self.shiftList = interaction.selection
if not self.shiftList:
raise self.VascoReferenceCheckError("No shift list available in, or selected from, project - cannot run VASCO without chemical shifts.")
def selectStructureEnsemble(self, structureEnsembleId=None):
self.structureEnsemble = None
if self.ccpnProject.structureEnsembles:
if len(self.ccpnProject.structureEnsembles) == 1:
self.structureEnsemble = self.ccpnProject.findFirstStructureEnsemble()
elif structureEnsembleId != None:
self.structureEnsemble = self.ccpnProject.findFirstStructureEnsemble(ensembleId=structureEnsembleId)
if not self.structureEnsemble:
(selectionList,selectionDict) = createSelection(self.ccpnProject.sortedStructureEnsembles())
interaction = self.multiDialog.SelectionList(
self.guiParent,
selectionList,
selectionDict = selectionDict,
title = "Project '%s': " % self.ccpnProject.name + 'Select structure ensemble for coordinates',
text = "Existing structure ensembles:"
)
if interaction.isSelected:
self.structureEnsemble = interaction.selection
if not self.structureEnsemble:
raise self.VascoReferenceCheckError("No structures available in, or selected from, project - cannot run VASCO without coordinates.")
def selectShiftList(self, shiftListSerial=None):
self.shiftList = None
shiftLists = list(
self.ccpnProject.currentNmrProject.findAllMeasurementLists(
className='ShiftList'))
if shiftLists:
if len(shiftLists) == 1:
self.shiftList = shiftLists[0]
elif shiftListSerial != None:
self.shiftList = self.ccpnProject.currentNmrProject.findFirstMeasurementList(
className='ShiftList', serial=shiftListSerial)
if not self.shiftList:
(selectionList, selectionDict) = createSelection(shiftLists)
interaction = self.multiDialog.SelectionList(
self.guiParent,
selectionList,
selectionDict=selectionDict,
title="Project '%s': " % self.ccpnProject.name +
'Select shift list',
text="Existing shift lists:")
if interaction.isSelected:
self.shiftList = interaction.selection
if not self.shiftList:
raise self.VascoReferenceCheckError(
"No shift list available in, or selected from, project - cannot run VASCO without chemical shifts."
)
def selectStructureEnsemble(self, structureEnsembleId=None):
self.structureEnsemble = None
if self.ccpnProject.structureEnsembles:
if len(self.ccpnProject.structureEnsembles) == 1:
self.structureEnsemble = self.ccpnProject.findFirstStructureEnsemble(
)
elif structureEnsembleId != None:
self.structureEnsemble = self.ccpnProject.findFirstStructureEnsemble(
ensembleId=structureEnsembleId)
if not self.structureEnsemble:
(selectionList, selectionDict) = createSelection(
self.ccpnProject.sortedStructureEnsembles())
interaction = self.multiDialog.SelectionList(
self.guiParent,
selectionList,
selectionDict=selectionDict,
title="Project '%s': " % self.ccpnProject.name +
'Select structure ensemble for coordinates',
text="Existing structure ensembles:")
if interaction.isSelected:
self.structureEnsemble = interaction.selection
if not self.structureEnsemble:
raise self.VascoReferenceCheckError(
"No structures available in, or selected from, project - cannot run VASCO without coordinates."
)
def tagCcpnObjectForExternalExec(self, ccpnObject, softwareName):
tagCcpnObjectForExternalExec(ccpnObject, softwareName,
self.getFileTimeString())
if self.verbose:
(selectionList, selectionDict) = createSelection([ccpnObject])
print " Tagging %s object %s" % (ccpnObject.className,
selectionList[0])
def selectMolSystem(self, resonanceList=None):
#
# If minimalPrompts, just select any available molSystem
#
if self.minimalPrompts and len(self.project.molSystems) == 1:
self.molSystem = self.project.findFirstMolSystem()
elif not hasattr(self, 'molSystem'):
self.molSystem = None
#
# If resonance info is given, try to determine from to-atom link
#
if resonanceList:
for resonance in resonanceList:
resonanceSet = resonance.resonanceSet
if resonanceSet:
refAtom = resonanceSet.findFirstAtomSet().findFirstAtom()
self.molSystem = refAtom.residue.chain.molSystem
break
#
# Try to select from list
#
if not self.molSystem:
(selectionList,
selectionDict) = createSelection(self.project.sortedMolSystems())
if selectionList:
while (not self.molSystem):
interaction = self.multiDialog.SelectionList(
self.guiParent,
selectionList,
selectionDict=selectionDict,
title="Project '%s': " % self.project.name +
'Select molecular system',
text='Existing molecular system codes:',
urlFile='SelectMolSystem')
if interaction.isSelected:
self.molSystem = interaction.selection
#
# If nothing, create new
#
if not self.molSystem:
molSysExists = 1
molSysCode = 'My_molecular_system'
while (molSysExists):
molSysCode = self.dataEntry.askString(
"Molecular system name", "Code for new molecular system:",
molSysCode, self.guiParent)
if self.project.findFirstMolSystem(name=molSysCode):
self.messageReporter.showError(
"Error",
"Name for molecular system already exists - select another.",
parent=self.guiParent)
elif ' ' in molSysCode:
self.messageReporter.showError(
"Error",
"Name for molecular system cannot have spaces.",
parent=self.guiParent)
else:
molSysExists = 0
self.molSystem = MolSystem.MolSystem(self.project,
code=molSysCode,
name=molSysCode)
def setIoInfo(master,setupInfo,project,fileDefs,forceCreation = False, appendNone = False):
(widgetType,IOkeywd,labelText,IOdefault,extraDefs) = setupInfo
label = Label(master, text = labelText)
widget = None
selectionDict = None
if widgetType[-5:] == 'Entry':
addKeywds = {}
if extraDefs and extraDefs.has_key('width'):
addKeywds['width'] = extraDefs['width']
widget = Entry(master, text='%s' % str(IOdefault),**addKeywds)
elif widgetType == 'CheckButton':
widget = CheckButton(master)
widget.setSelected(IOdefault)
elif widgetType[:13] == 'SelectionList' or widgetType[:18] == 'MultiSelectionList':
if IOdefault[:7] == 'project':
ccpnObjects = getCcpnObjects(project,IOdefault)
(selectionList,selectionDict) = createSelection(ccpnObjects)
if (selectionList or forceCreation) and widgetType[-8:] == 'WithNone':
if appendNone:
selectionList.append('None')
else:
selectionList.insert(0,'None')
selectionDict['None'] = None
else:
selectionList = IOdefault # Should be list!
if selectionList:
if widgetType[:13] == 'SelectionList':
widget = PulldownList(master, texts = selectionList)
elif widgetType[:18] == 'MultiSelectionList':
widget = ScrolledListbox(master,height = 5,selectmode = Tkinter.MULTIPLE,initial_list = selectionList)
elif widgetType in ('FileButton','FileMultiButton','DirButton'):
(component,format,selectFile,selectDir) = fileDefs
fileComponent = None
if extraDefs:
if extraDefs.has_key('component'):
fileComponent = extraDefs['component'] # Can't reset component 'cos necessary for handling widget!
elif extraDefs.has_key('format'):
format = extraDefs['format']
if widgetType[:4] == 'File':
if widgetType == 'FileMultiButton':
multiSelect= True
else:
multiSelect = False
widget = Tkinter.Button(master, text = IOdefault, command = lambda comp = component, format = format, buttonKeyword = IOkeywd, defaultText = IOdefault, fileComponent = fileComponent, multiSelect = multiSelect: selectFile(comp,format,buttonKeyword,defaultText,fileComponent,multiSelect = multiSelect))
elif widgetType == 'DirButton':
widget = Tkinter.Button(master, text = IOdefault, command = lambda comp = component, format = format, buttonKeyword = IOkeywd: selectDir(comp,format,buttonKeyword))
return (label,widget,selectionDict)
