# Copyright 2006-2007 Nanorex, Inc. See LICENSE file for details. """ NE1 core-library-related API. """ class NE1_Lib: """ Core NE1 methods (to support the NH1 wizard.) This API is just to give an idea - still needs to be thought through. The premise of the getXxxUI() methods is that NE1 shall provide a set of common UI for things for consistency, ie, so that the user only needs to learn one widget for model tree node selection, and the same widget for node selection is used everywhere. """ def getConstraintsSelectorUI(self): """ Returns the UI for selecting constraints. """ pass def getMeasurementsSelectorUI(self): """ Returns the UI for selecting measurements. """ pass def getAtomSetSelectorUI(self): """ Returns the UI for selecting atom set nodes from the model tree. """ pass def detectUnMinized(self): """ Detects and reports whether there are un-minimized structures in any of the simulation input files. """ pass def checkJigSanity(self): """ Checks whether there are any unreasonable jig parameters in the simulation. """ pass def detectUnusedJigs(self): """ Detects and reports whether there are any unused jigs in the input MMP files. """ pass def detectReactionPoints(self): """ Detects and reports reaction points found in the structures in the input files. """ pass def checkSpinMultiplicity(self): """ Reports on spin mulitiplicity. """ pass