Hi Geoff, On Thu, May 26, 2011 at 1:00 PM, Geoffrey Hutchison <[email protected]> wrote: > As I said last week, I have a staff member here at Pitt who's chomping at the > bit to get started. We'd be happy to take a "not quite ready for prime-time" > version and finish it off. I suspect you're pretty busy right now.
Your suspicions are correct :-) If someone is eager to start this, then I will happily let them take this project over. I've pushed my draft to the slabbuilder branch on my github fork: https://github.com/dlonie/avogadro/tree/slabbuilder It consists of a module in the crystallography extension and an additional engine. The extension module launches a dockwidget (this GUI will need to be redone, a lot of it is leftover from a sandboxing-stage), takes input from the widget and passes it to the engine through the molecule's QObject dynamic properties. Much of the code isn't close to finished yet, but here was my vision: The engine then renders a cell that should map out the periodic slab and fills it with atoms appropriately, or simply renders a translucent plane where the slice would be made (this was the source of my question about drawShadedQuadrilateral from a few days ago). The user would inspect the slice before it is made, optionally offsetting the slice plane along it's normal. When the slice is made, a periodic slab would be generated with the slice plane in the x,y plane. The user could then expand the cell with the supercell builder and trim to fit their needs. Like I said above, the code is far from finished, but the basics should be there for whoever picks it up. Feel free to let me know if there are any questions! Dave ------------------------------------------------------------------------------ vRanger cuts backup time in half-while increasing security. With the market-leading solution for virtual backup and recovery, you get blazing-fast, flexible, and affordable data protection. Download your free trial now. http://p.sf.net/sfu/quest-d2dcopy1 _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
