class NMRApplication(object):
def __init__(self, Core):
self.NMRCommands = Core
self.log = ""
self.defaults = {"radius": 0.03, "cutOff": 0.3, "colors": {'notViolated': [1, 1, 1, 1, 1, 1],
'tooFar': [1, 0, 0, 1, 0, 0], 'tooClose': [0, 0, 1, 0, 0, 1]},
'gradient': "blue_white_red", "method": "sum6"}
self.gradientColorList = ["blue_green", "blue_magenta", "blue_red", "blue_white_green", "blue_white_magenta",
"blue_white_red", "blue_white_yellow", "blue_yellow", "cbmr", "cyan_magenta",
"cyan_red", "cyan_white_magenta", "cyan_white_red", "cyan_white_yellow", "cyan_yellow",
"gcbmry", "green_blue", "green_magenta", "green_red", "green_white_blue",
"green_white_magenta", "green_white_red", "green_white_yellow", "green_yellow",
"green_yellow_red", "magenta_blue", "magenta_cyan", "magenta_green", "magenta_white_blue",
"magenta_white_cyan", "magenta_white_green", "magenta_white_yellow", "magenta_yellow",
"rainbow", "rainbow2", "rainbow2_rev", "rainbow_cycle", "rainbow_cycle_rev",
"rainbow_rev", "red_blue", "red_cyan", "red_green", "red_white_blue", "red_white_cyan",
"red_white_green", "red_white_yellow", "red_yellow", "red_yellow_green", "rmbc",
"yellow_blue", "yellow_cyan", "yellow_cyan_white", "yellow_green", "yellow_magenta",
"yellow_red", "yellow_white_blue", "yellow_white_green", "yellow_white_magenta",
"yellow_white_red", "yrmbcg"]
def startGUI(self):
self.NMRInterface = NMRGUI()
self.NMRInterface.startGUI()
self.GUIBindings()
self.setDefaults()
def setDefaults(self):
self.NMRInterface.preferencesPanel.densityPanel.gradientSelection.setlist(self.gradientColorList)
self.NMRInterface.preferencesPanel.densityPanel.gradientSelection.component("entryfield").setvalue(self.defaults["gradient"])
self.NMRInterface.preferencesPanel.sticksPanel.colors = self.defaults["colors"]
self.NMRInterface.preferencesPanel.sticksPanel.radius.set(self.defaults["radius"])
self.NMRInterface.constraintSelectionManagement.violationsFrame.cutOff.set(self.defaults["cutOff"])
self.NMRInterface.preferencesPanel.methodSelection.setvalue(self.defaults["method"])
self.NMRInterface.constraintSelectionManagement.structureManagement.comboPDB.setlist(self.getModelsNames())
self.NMRInterface.constraintFilesManagement.updateFilelist()
def GUIBindings(self):
self.NMRInterface.constraintFilesManagement.NMRCommands = self.NMRCommands
self.NMRInterface.NOEDrawingManagement.NMRCommands = self.NMRCommands
self.NMRInterface.constraintSelectionManagement.structureManagement.mainApp = self
def getModelsNames(self):
results = []
objectsLists = get_names()
for name in objectsLists:
if len(self.NMRCommands.ManagersList):
for managerName in self.NMRCommands.ManagersList.keys():
if name.find(managerName) < 0:
if name not in results:
results.append(name)
else:
if name not in results:
results.append(name)
return results
def startGUI(self):
"""
"""
self.NMRInterface = NMRGUI()
self.NMRInterface.startGUI()
self.GUIBindings()
self.setDefaults()
class NMRApplication(object):
"""
"""
def __init__(self, Core, app="NoGUI"):
"""
"""
self.NMRCommands = Core
self.log = ""
self.NMRCLI = NMRCLI(Core)
if app == "NoGUI":
stdout.write("Starting PyNMR CLI ...\n")
else:
stdout.write("Starting PyNMR GUI ...\n")
self.startGUI()
def startGUI(self):
"""
"""
self.NMRInterface = NMRGUI()
self.NMRInterface.startGUI()
self.GUIBindings()
self.setDefaults()
def setDefaults(self):
"""
"""
self.NMRInterface.preferencesPanel.densityPanel.gradientSelection['values'] = defaultForParameter('gradientColorList')
self.NMRInterface.preferencesPanel.setDefaults()
self.NMRInterface.mainPanel.constraintPanel.violationsFrame.cutOff.set(defaultForParameter("cutOff"))
self.NMRInterface.mainPanel.constraintPanel.structureManagement.comboPDB.values = MVI.getModelsNames(defaultForParameter('SatisfactionMarker'), defaultForParameter('UnSatisfactionMarker'))
self.NMRInterface.mainPanel.fileSelection.updateFilelist()
def GUIBindings(self):
"""
"""
self.NMRInterface.mainPanel.fileSelection.NMRCommands = self.NMRCommands
self.NMRInterface.mainPanel.NOEDrawing.NMRCommands = self.NMRCommands
self.NMRInterface.mainPanel.constraintPanel.structureManagement.mainApp = self
self.NMRInterface.preferencesPanel.mainApp = self
