Hi Marcus, As I've mentioned before, I'm working with Paul Boone here at Pitt on a new script interface in Avogadro 2. Scripts (not just Python) will have a similar API to the input generators, but will hand back a modified molecule to Avogadro. Eventually, we'll implement a download-from-GitHub feature.
I'm trying to do the least amount of refactoring: - Right now it seems like "Paste" doesn't actually modify the molecule - instead, a new one is created. I'd like to adapt the paste command to work like Avogadro v1 -- add more atoms and bonds to the current molecule - I still have no idea how the UI for the molecule list is supposed to work. I realize this is a Mac bug, but it seems like there should be a way to "merge" or "split" those entries. However, since the undo stack is maintained by the RWMolecule, I'm unclear on how you would implement undo/redo for those concepts. - I'm going to add selection to the RWMolecule and CJSON (i.e., which atoms are currently selected). This will enable "regular paste" by including an append() method with undo/redo support. Selections will also have undo/redo support (i.e., the before and after bit vectors of selected atoms). - I'm going to take the InputGeneratorWidget out of avogadrolibs / molequeue and put it into qtgui/ as InterfaceWidget. It will handle both input generators and the new action scripts (i.e., parsing the JSON from the scripts) - I will probably add small subclasses to handle the two different types, e.g., the preview text in the input generators, etc. Thoughts? -Geoff ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ Avogadro-devel mailing list Avogadro-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-devel
