On Mon, Apr 16, 2012 at 1:18 PM, Marcus D. Hanwell <[email protected]> wrote: > It would be nice to contain a lot of these changes in a more > specialized plugin, but if they are at least well isolated that should > be OK.
I was trying to think of a way to implement this in a maintainable way across all of the engines, maybe with a MoleculeRepresentation (or similar) layer between Molecule and Engine, but a new engine may be the best way to go for now. Or add options to the engine settings so that users could select how to handle periodic bonds: * Expanded: Complete all molecules that exceed the unit cell: (see the graphical abstract on http://pubs.acs.org/doi/abs/10.1021/ja201786y ) * Clipped: Think of a 3x3x3 supercell clipped so that only fragments inside the central cell are shown: http://wn.com/ZINK_Crystal_Video It's a video, but the preview frame shows what I mean. This is what I'm trying to get implemented at the moment. * Simple periodic: Like Tuukka's original patch, which just renders the bond halves, not clipping them at the boundaries. I prefer adding options to the existing engines. It's just a shame to have to recalculate all of the translated geometry on every render for each engine, and it will suck to implement and maintain this across all engines :-/ Dave ------------------------------------------------------------------------------ For Developers, A Lot Can Happen In A Second. Boundary is the first to Know...and Tell You. Monitor Your Applications in Ultra-Fine Resolution. Try it FREE! http://p.sf.net/sfu/Boundary-d2dvs2 _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
