From: Miguel <mt...@mt...> - 2003-10-04 17:32:42
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> On Friday 03 October 2003 23:13, Miguel wrote: >> > A second thing is, that we need to be able to display more than one >> unit cell, but say 2x2x2 unit cells... with all content... Again, >> this is were the iterators come in... here the iterator repeats the >> process in the previous paragraph for each unit cell it has to >> plot... >> >> So, this is new functionality ... Correct? > > Well, it was in Jmol b6, but at least new to the CDK based Jmol.. So, you are saying that this functionality exists in b6? What are the steps I need to go throughto see it in b6? >> If so, then educate me a little more on this. Is it the case that you >> want the same atom structure repeated, but with a base at a different >> offset? > > Correct. OK. Then it seems to me that there is a better way to handle this. All one needs to do is repeat the same atoms, but translated to different positions in 3-space. Are these offsets the corners of the unit cell box? If not, how does one calculate the offsets of the neighboring cells? It seems to me that we can render this to the screen without duplicating the data strutures. That is, I can render the same set of atoms, with all of the atoms offset by specific amounts. That will be much simpler, will take up much less memory, and be just as fast. Also, you can expand it to as many levels as you want ... we do not have to restrict it to 2x2x2. Finally, this should have a benefit in scripting. Any visual changes (color, size, hiding, etc) that are made to the atoms of the "true" cell will automatically be replicated to all the other "phantom" cells. Fabian & Egon ... does this sound right? Miguel |