def destroy(self):
for func in ('__init__','delete'):
Implementation.unregisterNotify(self.updateMolSystems, 'ccp.molecule.MolSystem.MolSystem', func)
Implementation.unregisterNotify(self.updateChains, 'ccp.molecule.MolSystem.Chain', func)
BasePopup.destroy(self)
def __init__(self, parent, *args, **kw):
self.guiParent = parent
self.project = parent.getProject()
self.waiting = 0
self.constraintSet = None
self.constrLists = [None] * 4
self.numClouds = 100
self.filePrefix = 't_intra_'
self.cloudsFiles = []
self.adcAtomTypes = 'HN'
# step num, initial temp, final temp, cooling steps, MD steps, MD tau, rep scale
self.coolingScheme = []
self.coolingScheme.append([1, 1, 1, 3, 500, 0.001, 0])
self.coolingScheme.append([2, 80000, 4000, 19, 1000, 0.001, 0])
self.coolingScheme.append([3, 4000, 1, 5, 500, 0.001, 0])
self.coolingScheme.append([4, 15000, 1, 3, 1000, 0.001, 0])
self.coolingScheme.append([5, 1, 1, 5, 500, 0.001, 0])
self.coolingScheme.append([6, 8000, 1, 3, 1000, 0.001, 0])
self.coolingScheme.append([7, 1, 1, 5, 500, 0.001, 0])
self.coolingScheme.append([8, 3000, 25, 60, 2500, 0.001, 1])
self.coolingScheme.append([9, 25, 25, 1, 7500, 0.001, 1])
self.coolingScheme.append([10, 10, 10, 1, 7500, 0.001, 1])
self.coolingScheme.append([11, 0.01, 0.01, 1, 7500, 0.0005, 1])
self.coolingStep = None
BasePopup.__init__(self,
parent,
title="Hydrogen Cloud Molecular Dynamics",
**kw)
def __init__(self, parent, *args, **kw):
self.guiParent = parent
self.project = parent.getProject()
self.waiting = 0
self.specFreq = 800.13
self.maxIter = 15
self.mixTime = 60
self.corrTime = 11.5
self.leakRate = 2.0
self.ratioHD = 0.9
self.peakListDict = {}
self.peakListDict3d = {}
self.noesyPeakList = None
self.noesy3dPeakList = None
self.carbonLabel = 0
self.nitrogenLabel = 1
self.noesyPeakList1 = None
self.noesyPeakList2 = None
self.noesyPeakList3 = None
self.noesyPeakList3d = None
self.resonances = None
self.noesyPeaks = None
self.distanceConstraintList = None
self.antiDistConstraintList = None
self.adcAtomTypes = None
self.structure = None
BasePopup.__init__(self,
parent,
title="Relaxation Matrix Optimisation",
**kw)
def open(self):
self.updateMolSystems()
self.updateMolecules()
self.updateSymmetriesAfter()
BasePopup.open(self)
def __init__(self,
parent,
title='Project : Open',
callback=None,
help_msg='',
help_url='',
load_project=None,
*args,
**kw):
self.callback = callback
self.help_msg = help_msg
self.help_url = help_url
self.project = None
if not load_project:
askdir = lambda title, prompt, initial_value: askDir(
title,
prompt,
initial_value,
parent=self,
extra_dismiss_text='Skip')
askfile = lambda title, prompt, initial_value: askFile(
title,
prompt,
initial_value,
parent=self,
extra_dismiss_text='Skip')
load_project = lambda path: loadProject(
path, showWarning=showWarning, askDir=askdir, askFile=askfile)
self.load_project = load_project
BasePopup.__init__(self, parent=parent, title=title, *args, **kw)
def __init__(self, parent, project, title = 'Project : Save As', callback = None,
help_msg = '', help_url = '', dismiss_text = '', *args, **kw):
self.callback = callback
self.help_msg = help_msg
self.help_url = help_url
self.dismiss_text = dismiss_text
BasePopup.__init__(self, parent=parent, project=project, title=title, *args, **kw)
def destroy(self):
geometry = self.getGeometry()
self.resetConsole()
BasePopup.destroy(self)
print 'destroy:', geometry
sys.exit(0) # remove later
def close(self):
geometry = self.getGeometry()
self.resetConsole()
BasePopup.close(self)
print 'close:', geometry
sys.exit(0) # remove later
def close(self):
geometry = self.getGeometry()
self.resetConsole()
BasePopup.close(self)
print 'close:',geometry
sys.exit(0) # remove later
def destroy(self):
geometry = self.getGeometry()
self.resetConsole()
BasePopup.destroy(self)
print 'destroy:',geometry
sys.exit(0) # remove later
def __init__(self, parent, run):
self.parent = parent
self.latestRun = run
self.daniprotocol = None
self.waiting = False
self.getStoredDaniProtocols()
BasePopup.__init__(self, parent=parent, title='Relaxation data')
def __init__(self, parent, *args, **kw):
self.project = parent.project
self.hNoesy = None
self.nNoesy = None
self.cNoesy = None
self.shiftList = None
BasePopup.__init__(self, parent, title="BACUS control module", **kw)
def __init__(self, root):
self.font = DEFAULT_FONT
# Application object needed to store application-specific data with project
self.application = Application(name=PROGRAM_NAME)
self.versionInfo = VERSION
# Application popup is a superclass of memops.editor.BasePoup
BasePopup.__init__(self, parent=root, title=PROGRAM_NAME,
location='+100+100', class_=self.application.name)
def __init__(self, parent, help_msg='', help_url='', *args, **kw):
self.help_msg = help_msg
self.help_url = help_url
BasePopup.__init__(self,
parent=parent,
title='Widget Count',
*args,
**kw)
def __init__(self, root, programName='ApplicationTemplate'):
self.programName = programName
# Application object needed to store application-specific data with project
self.application = Application(name=programName)
self.versionInfo = 'Version 0.00a'
# Application popup is a superclass of memops.editor.BasePoup
BasePopup.__init__(self, parent=root, title=programName,
location='+100+100', class_=self.application.name)
def __init__(self, parent, *args, **kw):
self.guiParent = parent
self.project = parent.getProject()
self.molSystem = None
self.chain = None
self.assignment = None
self.scores = []
BasePopup.__init__(self, parent, title="Cloud Threader", **kw)
def __init__(self,parent,hProject=None,latestRun=None,ccpnProject=None):
self.parent = parent #GUI parent
self.hProject = hProject
self.latestRun = latestRun
self.ccpnProject = ccpnProject
self.username = None
self.password = None
BasePopup.__init__(self, parent=parent, title='HADDOCK server upload')
def __init__(self, parent, run):
self.parent = parent
self.latestRun = run
self.rdcprotocol = None
self.waiting = False
self.getStoredRdcProtocols()
BasePopup.__init__(self,
parent=parent,
title='Residual Dipolar Couplings')
def __init__(self, parent, project):
self.parent = parent
self.project = project
self.singleMolecule = True
self.molSystem = None
self.molecules = []
self.symmetrySet = None
self.symmetryOp = None
self.waiting = False
BasePopup.__init__(self, parent=parent, title='Symmetry Operations')
def __init__(self, parent, root, metaclass, onlyShow=False, *args, **kw):
self.root = root
self.metaclass = metaclass
self.onlyShow = onlyShow
BasePopup.__init__(self,
parent,
title='Browser for %s objects' % metaclass.name,
location='+50+50',
*args,
**kw)
def destroy(self):
for func in ('__init__', 'delete', 'setName'):
for clazz in ('ccp.nmr.NmrConstraint.DistanceConstraintList', ):
Implementation.unregisterNotify(self.updateConstraintLists,
clazz, func)
for func in ('__init__', 'delete'):
Implementation.unregisterNotify(
self.updateConstraintSets,
'ccp.nmr.NmrConstraint.NmrConstraintStore', func)
BasePopup.destroy(self)
def __init__(self, parent, width, height, appKey=None, *args, **kw):
if (not appKey):
appKey = ''
self.appKey = appKey
self.outputHandler = None
self.setPlotSize(width, height)
if (not kw.has_key('popup_name')):
kw['popup_name'] = 'print'
BasePopup.__init__(self, parent=parent, *args, **kw)
def __init__(self,
parent,
project,
title='Edit Project Spectrum & Data Paths',
help_msg='',
help_url='',
*args,
**kw):
self.help_msg = help_msg
self.help_url = help_url
self.waiting = False
BasePopup.__init__(self, parent, project, title=title, *args, **kw)
def __init__(self, parent, *args, **kw):
self.guiParent = parent
self.project = parent.getProject()
self.waiting = 0
self.specFreq = 800.13
self.maxIter = 50
self.mixTime = 60
self.corrTime = 11.5
self.leakRate = 2.0
self.peakListDict = {}
self.noesyPeakList = None
self.tocsyPeakList = None
self.noesy3dPeakList = None
self.hsqcPeakList = None
self.maxIntens = 37000000
self.resonances = None
self.origResonances = None
self.noesyPeaks = None
self.distanceConstraintList = None
self.antiDistConstraintList = None
self.numClouds = 100
self.filePrefix = 'cloud_'
self.cloudsFiles = []
self.adcAtomTypes = 'HN'
self.structure = None
# step num, initial temp, final temp, cooling steps, MD steps, MD tau, rep scale
self.coolingScheme = []
self.coolingScheme.append([1, 1, 1, 3, 500, 0.001, 0])
self.coolingScheme.append([2, 80000, 4000, 19, 1000, 0.001, 0])
self.coolingScheme.append([3, 4000, 1, 5, 500, 0.001, 0])
self.coolingScheme.append([4, 15000, 1, 3, 1000, 0.001, 0])
self.coolingScheme.append([5, 1, 1, 5, 500, 0.001, 0])
self.coolingScheme.append([6, 8000, 1, 3, 1000, 0.001, 0])
self.coolingScheme.append([7, 1, 1, 5, 500, 0.001, 0])
self.coolingScheme.append([8, 3000, 25, 60, 2500, 0.001, 1])
self.coolingScheme.append([9, 25, 25, 1, 7500, 0.001, 1])
self.coolingScheme.append([10, 10, 10, 1, 7500, 0.001, 1])
self.coolingScheme.append([11, 0.01, 0.01, 1, 7500, 0.0005, 1])
self.coolingStep = None
BasePopup.__init__(self,
parent,
title="Resonance Clouds Analysis",
**kw)
def __init__(self, parent, options, *args, **kw):
# Fill in below variable once run generates some results
self.haveResults = None
# store the options
self.options = options
BasePopup.__init__(self, parent=parent, title='CING Setup', **kw)
# self.setGeometry(850, 750, 50, 50)
self.project = None
# self.tk_strictMotif( True)
self.updateGui()
def __init__(self, parent, project):
self.parent = parent
self.ccpnProject = project
self.hProject = project.currentHaddockProject
self.molPartner = None
self.molecules = []
self.symmetrySet = None
self.symmetryOp = None
self.symmetryCode = None
self.waiting = False
BasePopup.__init__(self, parent=parent, title='Symmetry Operations')
self.font = 'Helvetica 12'
self.setFont()
def __init__(self, parent, options, *args, **kw):
# Fill in below variable once run generates some results
self.haveResults = None
# store the options
self.options = options
BasePopup.__init__(self, parent=parent, title='CING Setup', **kw)
# self.setGeometry(850, 750, 50, 50)
self.project = None
# self.tk_strictMotif( True)
self.updateGui()
def __init__(self,
parent,
width,
height,
getOption=None,
setOption=None,
*args,
**kw):
self.outputHandler = None
self.setPlotSize(width, height)
self.getOption = getOption
self.setOption = setOption
if (not kw.has_key('popup_name')):
kw['popup_name'] = 'print'
BasePopup.__init__(self, parent=parent, *args, **kw)
def __init__(self, root, programName='Ccpn Workflow Management System'):
self.programName = programName
self.font = DEFAULT_FONT
# Application object needed to store application-specific data with project
self.application = Application(name=PROGRAM_NAME)
self.versionInfo = 'Version ' + VERSION
self.ariaProjectFile = None
self.username = None
# what do these do??
self.updateFuncs = []
self.projButtons = []
# may need these in the end
self.ariaPaths = []
self.isdPaths = []
# FIXME JMCI
# hard code this for now. this should be initialised from file
# read during GUI login and then extended using the menu options
# should set a placeholder. In fact, this placeholder will also have
# a default user (guest) so that there is always a structure to
# extend should the user wish to start from scratch and not log in
self.repList = RepositoryList()
self.currentTask = None
# going to stick in shortcuts to frames for quick access
self.frameShortcuts = {}
# Application popup is a superclass of memops.editor.BasePoup
BasePopup.__init__(self,
parent=root,
title=PROGRAM_NAME,
location='+100+100',
class_=self.application.name)
self.setTitle(PROGRAM_NAME)
def __init__(self,
guiParent,
metaclass,
object=None,
editMode=True,
objParent=None,
*args,
**kw):
if (not kw.has_key('project')):
if (object is not None):
project = object.root
elif (objParent is not None):
project = objParent.root
else:
project = None
kw['project'] = project
self.guiParent = guiParent
self.metaclass = metaclass
self.object = object
self.editMode = editMode
self.objParent = objParent
self.myArgs = args
self.myKw = kw.copy()
if (editMode):
t = 'Editor'
else:
t = 'Creator'
kw['title'] = '%s for %s' % (t, metaclass.name)
kw['popup_name'] = t + '_for_' + metaclass.name
BasePopup.__init__(self, guiParent, *args, **kw)
if (editMode):
editObjectPopups[metaclass] = self
else:
createObjectPopups[metaclass] = self
def __init__(self, root):
self.root = root
self.font = DEFAULT_FONT
# Application object needed to store application-specific data with project
self.application = Application(name=PROGRAM_NAME)
self.versionInfo = VERSION
ccpnProjectName = askString(
"CCPN project name", 'Please give a name to this import session:')
self.fcWrapper = FormatConverterWrapper(
ccpnProjectName=ccpnProjectName, guiRoot=self)
self.project = self.fcWrapper.formatConversion.ccpnProject
# Application popup is a superclass of memops.editor.BasePoup
BasePopup.__init__(self,
parent=root,
title=PROGRAM_NAME,
location='+100+100',
class_=self.application.name)
self.setTitle(PROGRAM_NAME)
def destroy(self):
BasePopup.destroy(self)
def __init__(self, parent, **kw):
self.parent = parent
BasePopup.__init__(self, parent=parent, title='CING Setup', **kw)
def open(self):
#self.frame.redirectConsole()
BasePopup.open(self)
def close(self): BasePopup.close(self)
def close(self):
#self.frame.resetConsole()
BasePopup.close(self)
def open(self):
self.redirectConsole()
BasePopup.open(self)
def destroy(self):
#self.frame.resetConsole()
BasePopup.destroy(self)
