class ResonanceSelectPopup(BasePopup):
def __init__(self,
parent,
resonanceList,
resonanceDict,
code3Letter,
resName,
helpText,
multi,
title='Select resonances'):
# Constructor doesn't do much except call body
# The parent is self.parent (parent of the popup)
self.selectedResonances = None
self.resonanceList = resonanceList
self.resonanceDict = resonanceDict
self.code3Letter = code3Letter
self.resName = resName
self.helpText = helpText
if multi:
self.selectmode = Tkinter.MULTIPLE
else:
self.selectmode = Tkinter.SINGLE
# modal = true means that it won't continue unless this one returns value
BasePopup.__init__(self,
parent=parent,
title=title,
modal=True,
transient=True)
def body(self, master):
master.grid_columnconfigure(0, weight=1)
for i in range(6):
master.grid_rowconfigure(i, weight=1)
self.geometry('600x400')
#
# Popup window
#
row = 0
label = Label(master, text="Residue type '%s'" % self.code3Letter)
label.grid(row=row, column=0, sticky=Tkinter.EW)
row = row + 1
label = Label(master, text="Resonance '%s'" % self.resName)
label.grid(row=row, column=0, sticky=Tkinter.EW)
row = row + 1
label = Label(master, text="Pick resonance(s):")
label.grid(row=row, column=0, sticky=Tkinter.W)
row = row + 1
self.list = ScrolledListbox(master,
width=50,
height=5,
selectmode=self.selectmode,
initial_list=self.resonanceList)
self.list.grid(row=row, column=0, sticky=Tkinter.EW)
row = row + 1
label = Label(master, text=self.helpText, fg='blue')
label.grid(row=row, column=0, sticky=Tkinter.EW)
row = row + 1
texts = ['OK']
commands = [
self.ok
] # This calls 'ok' in BasePopup, this then calls 'apply' in here
buttons = createDismissHelpButtonList(master,
texts=texts,
commands=commands)
buttons.grid(row=row, column=0)
def apply(self):
selectedResNames = self.list.getSelectedItems()
#
# Return value depends on whether multi or not
#
if selectedResNames:
if type(selectedResNames) == type([]):
self.selectedResonances = []
for selectedResName in selectedResNames:
self.selectedResonances.append(
self.resonanceDict[selectedResName])
else:
self.selectedResonances = [
self.resonanceDict[selectedResNames]
]
else:
return False
return True
class MultiSelectionListSkeleton:
def __init__(self, parent, selectionList, selectionDict = {}, selectedItems = [], title = 'MultiSelect', text = 'MultiSelect', endText = None, dismissText = 'dismiss', urlFile = None, modal = False):
self.selectionList = selectionList
self.selectionDict = selectionDict
self.selectedItems = selectedItems
self.text = text
self.endText = endText
self.dismissText = dismissText
self.isSelectedList = None
self.setUrlFile(urlFile)
self.startBasePopup(parent,title,modal,True)
def startBasePopup(self,parent,title,modal,True):
pass
def setUrlFile(self,urlFile):
self.help_url = None
def body(self, master):
#
# Popup window
#
row = 0
label = Label(master, text= self.text)
label.grid(row=row, column=0, sticky=Tkinter.EW)
row = row + 1
self.multiSelect = ScrolledListbox(master,
width = 50,
height = 5,
selectmode = Tkinter.MULTIPLE,
initial_list = self.selectionList)
self.multiSelect.grid(row=row, column=0, sticky=Tkinter.E, ipadx = 20)
master.grid_columnconfigure(0, weight=1)
master.grid_rowconfigure(row, weight=1)
if self.selectedItems:
self.multiSelect.setSelectedItems(self.selectedItems)
if self.endText:
row = row + 1
label = Label(master, text= self.endText)
label.grid(row=row, column=0, sticky=Tkinter.EW)
row = row + 1
texts = [ 'OK' ]
commands = [ self.ok ] # This calls 'ok' in BasePopup, this then calls 'apply' in here
buttons = createDismissHelpButtonList(master, texts=texts, commands=commands, dismiss_text = self.dismissText, help_url=self.help_url)
buttons.grid(row=row, column=0)
def apply(self):
self.isSelectedList = []
for selectedItem in self.multiSelect.getSelectedItems():
if self.selectionDict.has_key(selectedItem):
self.isSelectedList.append(self.selectionDict[selectedItem])
else:
self.isSelectedList.append(selectedItem)
return True
class CreateShiftListPopup(BasePopup):
help_url = joinPath(getHelpUrlDir(), 'CreateShiftList.html')
def __init__(self, parent, project):
self.project = project
self.peakLists = []
BasePopup.__init__(self,
parent=parent,
title="Project '%s': " % project.name +
'Create shift list from peak lists',
modal=False,
transient=True)
def body(self, master):
#
# Peaklist setup
#
self.peakListDict = {}
for experiment in self.project.currentNmrProject.sortedExperiments():
for dataSource in experiment.sortedDataSources():
for peakList in dataSource.sortedPeakLists():
peakListLabel = "%s:%s:%d:%s" % (
experiment.name, dataSource.name, peakList.serial,
peakList.name)
self.peakListDict[peakListLabel] = peakList
peakListLabels = self.peakListDict.keys()
peakListLabels.sort()
#
# chemical shift list setup
#
self.shiftListDict = {}
self.shiftListDict['None'] = None
for shiftList in self.project.currentNmrProject.findAllMeasurementLists(
className='ShiftList'):
shiftListLabel = "%d:%s" % (shiftList.serial, shiftList.name)
self.shiftListDict[shiftListLabel] = shiftList
shiftListLabels = self.shiftListDict.keys()
shiftListLabels.sort()
row = 0
label = Label(master, text="Generation of chemical shift list")
label.grid(row=row, column=0, columnspan=2, sticky=Tkinter.W)
row += 1
label = Label(master, text="Peak lists:")
label.grid(row=row, column=0, sticky=Tkinter.W)
self.peakListBox = ScrolledListbox(master,
width=50,
height=5,
selectmode=Tkinter.MULTIPLE,
initial_list=peakListLabels)
self.peakListBox.grid(row=row, column=1, sticky=Tkinter.EW)
row += 1
label = Label(master, text="Use existing shift list:")
label.grid(row=row, column=0, sticky=Tkinter.W)
self.shiftListSelect = PulldownMenu(master, entries=shiftListLabels)
self.shiftListSelect.grid(row=row, column=1, sticky=Tkinter.EW)
row += 1
label = Label(master, text="Use multiple assignments:")
label.grid(row=row, column=0, sticky=Tkinter.W)
self.useAllContribs = CheckButton(master)
self.useAllContribs.grid(row=row, column=1, sticky=Tkinter.W)
#
# Setup the default shift error per nucleus
#
self.defaultShiftError = {}
for (nucl, text, defValue) in [('1H', 'proton', '0.002'),
('13C', 'carbon', '0.1'),
('15N', 'nitrogen', '0.1')]:
row += 1
label = Label(master, text="Default %s shift error:" % text)
label.grid(row=row, column=0, sticky=Tkinter.W)
self.defaultShiftError[nucl] = Entry(master, text=defValue)
self.defaultShiftError[nucl].grid(row=row,
column=1,
sticky=Tkinter.W)
row += 1
texts = ['Create shift list']
commands = [
self.ok
] # This calls 'ok' in BasePopup, this then calls 'apply' in here
buttons = createDismissHelpButtonList(master,
texts=texts,
commands=commands,
help_url=self.help_url)
buttons.grid(row=row, columnspan=2, column=0)
def apply(self):
selectedPeakLists = self.peakListBox.getSelectedItems()
for peakListLabel in selectedPeakLists:
self.peakLists.append(self.peakListDict[peakListLabel])
chemShiftList = self.shiftListDict[self.shiftListSelect.getSelected()]
if not chemShiftList:
chemShiftListName = askString("Enter chemical shift list name",
"New chemical shift list name", '',
self)
else:
chemShiftListName = chemShiftList.name
useAllContribs = self.useAllContribs.isSelected()
defaultShiftError = {}
for nucl in self.defaultShiftError.keys():
defaultShiftError[nucl] = returnFloat(
self.defaultShiftError[nucl].get())
listCreated = createChemShifts(self.peakLists,
guiParent=self.parent,
multiDialog=self.parent.multiDialog,
shiftList=chemShiftList,
useAllContribs=useAllContribs,
defaultShiftError=defaultShiftError,
shiftListName=chemShiftListName)
if listCreated:
showInfo(
"Success",
"Succesfully created a chemical shift list from peaklist(s)")
return True
class WriteMappingPopup(BasePopup):
help_url = joinPath(getHelpUrlDir(),'WriteMapping.html')
def __init__(self, parent, project):
self.project = project
self.selectedFormats = []
self.defaultText = 'Select file'
self.formats = allFormatsDict.keys()
self.formats.sort()
BasePopup.__init__(self, parent=parent, title= "Project '%s': " % project.name + 'Write ccpNmr mapping file', modal=False, transient=True)
def body(self, master):
row = 0
label = Label(master, text= "CcpNmr resonance -> atom mapping file writer.")
label.grid(row=row, column=0, columnspan = 2, sticky=Tkinter.W)
row += 1
label = Label(master, text= "File formats:")
label.grid(row=row, column=0, sticky=Tkinter.W)
self.formatListBox = ScrolledListbox(master, width = 50, height = 5, selectmode = Tkinter.MULTIPLE,
initial_list = self.formats)
self.formatListBox.grid(row=row, column=1, sticky=Tkinter.EW)
# Default is all formats selected...
self.formatListBox.setSelectedItems(self.formatListBox.getItems())
row += 1
label = Label(master, text= "Mapping output file:")
label.grid(row=row, column=0, sticky=Tkinter.W)
self.fileButton = Tkinter.Button(master, text = self.defaultText, command = self.selectFile)
self.fileButton.grid(row=row, column=1, sticky=Tkinter.W)
row += 1
texts = [ 'Write mapping' ]
commands = [ self.ok ] # This calls 'ok' in BasePopup, this then calls 'apply' in here
buttons = createDismissHelpButtonList(master, texts=texts, commands=commands, help_url=self.help_url)
buttons.grid(row=row, columnspan = 2, column=0)
def selectFile(self):
fileName = self.fileButton.__getitem__('text')
if fileName == self.defaultText:
fileName = 'ccpNmr.map'
popup = FormatFilePopup(self, file = fileName, component = 'mapping', format = ccpNmr_kw)
if popup.fileSelected:
self.fileButton.config(text = popup.file)
popup.destroy()
def apply(self):
self.selectedFormats = self.formatListBox.getSelectedItems()
fileName = self.fileButton.__getitem__('text')
if fileName == self.defaultText:
return False
fileCreated = writeMappingFile(self.project,fileName,originalFormats = self.selectedFormats)
if fileCreated:
showInfo("Success","Succesfully wrote mapping file")
else:
showError("Not written","Error writing file %s. File not written" % fileName)
return False
return True