OK, so now I set it up so that
1) You can use [x,y,z] to designation absolute coordinates. Basically
the '[', ',', and ']' are all ignored.
2) You can use brackets around a draw identifier to designate the
CENTROID of a given point, line, or plane in some further definition.
For example:
pmesh test1 "inline" "1 [2. 0. 0.] 0";color pmesh white;pmesh test1 dots
pmesh test2 "inline" "2 [4. 0. 0.] [2. 0. 0.] 1 [3 0 1 0]";color pmesh
orange
pmesh test3 "inline" "3 [-0.49, -2.8, -1.2] [-2.2, 0.80, 1.09] [1.89,
2.12, 0.42] 1 [4 0 1 2 0]";color pmesh yellow
pmesh test4 "inline" "4 [0., 0., 0.] [0., 2., 0.] [2., 2., 0.] [2., 0.,
0.] 1 [5 0 1 2 3 0]";color pmesh translucent red
load caffeine2.xyz;draw triangle1 150 (atomno=1) (atomno=14)
(atomno=15);draw line2 200 [triangle1] (atomno=9) (atomno=11);color draw
translucent green
draw line1 120 (atomno=1) (atomno=2);color draw white
draw line1 300 (oxygen) (nitrogen)
draw triangle1 400
draw line1 100;draw triangle1 100
draw triangle1;color draw red;draw line1;color draw blue
draw line2 200 [triangle1] (atomno=9) (atomno=11);color pmesh green
draw square1 [1.0 1.0 1.0] [1.0 0.0 1.0] [0.0 0.0 1.0] [0.0 1.0 1.0]
I think one of the really nice aspects of this is that put together with
the #jmolscript: idea in a data file, we can
have "scriptless" file loading with graphical elements -- just put some
graphical elements right into MOL or XYZ files on that second line and
they are produced automatically from then on.
now, about models.....
Bob
Miguel wrote:
Q: How does one specify XYZ coordinates?
Right now you just start listing decimal numbers:
draw line 1.0 1.0 1.0 2.0 2.0 2.0
Q: Are they just 3 numbers, or do we use some type of encapsulating
syntax? ... as in [x,y,z]
I decided for now not to fool with the compiler, so no commas, no
brackets.
Good decision
We could imagine a general (x,y,z) compilation that looks like
coordinateBegin
x
y
z
coordinateEnd
The compiler would have problems with this ... because an open parenthesis
can currently be used to indicate the start of an atom expression.
sort of like
expressionBegin
...
expressionEnd
I'm not sure that's really necessary, though.
OK. If you are satisfied with 3 separate coordinate values then it is fine
with me.
It looks like what I have up right now has a bug that makes it so you
MUST show a percent scale if you are using coordinates.
draw line 100 1.0 1.0 1.0 2.0 2.0 2.0
Do not understand.
I was having a problem with scale because I wasn't specifying which
mesh it referred to. So I guess I still don't quite have that. I'll
have to fix it.
Q: What is the relationship between a drawn object and models/frames?
Can
an object exist in more than one frame?
haven't thought about that. My guess is that it is totally messing up
on that front. Right. Hmm. Say you have an animation. I could imagine
wanting to see the line between two atoms move with the animation,
like the way I set up measure. Oooh, yes, that could be interesting.
Yes, that is what I was thinking.
Or you might want to specify the model. Or you might want to specify a
fixed plane and then watch the animation move through it, for example.
Correct. If your parameters are fixed then it will sit still while the
animation moves.
Please give some thought to a mechanism whereby we can specify the models
where an object is displayed.
Looks like I might need some keywords here. This certainly suggests
challenges await the naive.
I see that pmesh is NOT model-specific. Probably makes sense, because
those tend to be so mamouth. My idea here is to present fairly small
elements -- just a few points -- not huge geodesics.
Correct.
Miguel
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