from PyQt4 import QtGui,QtCore from qtgui import CCP4TaskWidget from qtgui import CCP4Widgets class CTaskGesamt(CCP4TaskWidget.CTaskWidget): # Subclass CTaskWidget to give specific task window TASKNAME = 'gesamt' TASKVERSION = 0.0 TASKMODULE='model_data_utility' TASKTITLE='Structural alignment - Gesamt' SHORTTASKTITLE='GESAMT' WHATNEXT = [] PROGRAMHELP = 'gesamt' DESCRIPTION='Superpose one protein structure on another' def __init__(self,parent): CCP4TaskWidget.CTaskWidget.__init__(self,parent) def drawContents(self): self.setProgramHelpFile('gesamt') # Remove the 'followFrom' widget cos there can be no preceeding jobs - (this may be wrong thing to do) folder = self.openFolder(folderFunction='inputData',title='Input Data',followFrom=False) self.createLine( [ 'subtitle', 'Structure to move' ] ) self.createLine( ['tip', 'This is the query structure to which the transformation matrix will be applied.', 'widget', 'XYZIN_QUERY'] ) atWidget = self.getWidget('XYZIN_QUERY') if hasattr(atWidget, 'showAtomSelection'): self.getWidget('XYZIN_QUERY').showAtomSelection() self.createLine( [ 'subtitle', 'Fixed structure' ] ) self.createLine( ['tip', 'This is the target structure onto which the query structure will be moved.', 'widget', 'XYZIN_TARGET'] ) atWidget = self.getWidget('XYZIN_TARGET') if hasattr(atWidget, 'showAtomSelection'): self.getWidget('XYZIN_TARGET').showAtomSelection() #self.createLine( ['tip', 'Save the moved model, or just report the quality of the match?', 'widget', 'OUTPUT_COORDS', 'label', 'Output superposed coordinates']) self.createLine( ['tip', 'Normal mode is sufficient for most purposes. High quality mode will take about 10 times longer', 'widget', 'MODE' ] )