From: eric c. <dif...@gm...> - 2006-06-24 23:36:28
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On Jun 24, 2006, at 5:06 PM, Bob Hanson wrote: > I'm apprehensive about addAtom(). We'd have to think carefully > about the > effect of adding atoms. If at all possible, this should first be > implemented only as a strict atom-coordinate replacement scheme. i had a feeling that a method with that many fields should not be invoked lightly. in the meantime i'll focus on just managing one-to- one replacements as you suggest, so as not to cause everything to violently explode. in fact, i think i may have something working already, but i have yet to test it thoroughly. if i do get somewhere, i'll put my code up here before getting anywhere near subversion. > At first it may sound simple to add or remove atoms, but when you > consider that the atom set may involve multiple models from multiple > files, adding atoms may not be so simple. For example, there is > nothing > to date that flags an atom as deleted, but surely we don't want to > shift > the entire atom array because of a deletion. Adding and deleting atoms > would have a profound effect on all sorts of things -- rasmol > structures, bonds, polyhedra, anything that has an atom associated > with it. > > Think hard about what exactly you want to be able to do. If there > is any > possibility that those added atoms might be already in place at the > beginning of the animation and only displayed when needed, that > would be > far easier than trying to add them on the fly. i do not believe that there is any guarantee about whether or how many atoms will come and go, but it seems to be a rare and fleeting event, so it's probably a pretty small number. i take it from your comment that there's probably some way to make atoms temporarily invisible? if so, for my purposes i could just add a few extra atoms to the first model to allow for this possibility and turn them on as necessary. way safer, it seems. does deleteAtom() have comparably catastrophic consequences? or does it just "hide" atoms? it is saturday and alliteration is my recreation. also rhyme. ok i'm done. |