yes, that should be fine.
pim schravendijk wrote:
>Didn't check it yet in povray, but I think this goes in the right
>direction, and most important, without having to convert to integer
>coordinates at some point (ouch!):
>
> public void renderAtom(Atom atom, short colix) {
> Point3f point1 = new Point3f();
> String color = rgbFractionalFromColix(colix, ',');
> float r = atom.getMadAtom() / 2000f;
> // both arguments to transformPoint are float therefore:
> // going from angstrom to floating point screen value (= using
>perspective)
> viewer.transformPoint(atom,point1);
> // (float) is superfluous here then:
> float x = (float)point1.x;
> float y = (float)point1.y;
> float z = (float)point1.z;
> output.append("atom("+x+","+y+","+z+","+r+","+color+")\n");
> nBalls++;
> }
>
>
>
>
Point3f point1 = new Point3f();
public void renderAtom(Atom atom, short colix) {
....
(no need to create a new Point3f for every atom)
//unncec. float x = point1.x;
//unncec. float y = point1.y;
//unncec. float z = point1.z;
(Point3f is float already)
if(point1.z > 1) //because that means it's clipped by internal slabbing
output.append("atom("+point1.x+","+point1.y+","+point1.z+","+r+","+color+")\n");
This should be fine. We're transforming the points twice, but the issue
won't be efficiency the way it is in actual rendering.
>On 9/20/07, pim schravendijk <[EMAIL PROTECTED]> wrote:
>
>
>>On 9/20/07, Bob Hanson <[EMAIL PROTECTED]> wrote:
>>
>>
>>>No, because when you generate the Povray image you want the perspective
>>>you see in Jmol, not something that you would later have to manipulate.
>>>The main problem is the multiple bond issue.
>>>
>>>
>>Well, to be honest, I need povray exports from jmol exactly for
>>manipulation later on (combining and aligning several molecules in one
>>image, adding a background, fancy lighting effects, etc.
>>
>>http://www.molmod.com/~schraven/povray-example1.jpg
>>http://www.molmod.com/~schraven/povray-example2.jpg
>>
>>As long as with 'perspective off' in jmol it still gives me the pure
>>xyz coordinates, I am happy though.
>>
>>
>
>
>
right. We might turn off perspective depth temporarily automatically.
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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