Bugs item #3440852, was opened at 2011-11-21 12:36
Message generated for change (Comment added) made by simonplace
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Category: File Input/Output
Group: None
Status: Closed
Resolution: Fixed
Priority: 5
Private: No
Submitted By: simon (simonplace)
Assigned to: Bob Hanson (hansonr)
Summary: x3d output has duplicated geometry

Initial Comment:
downloaded output example file from; 
http://jmol.sourceforge.net/demo/3dscenes/Ala.x3d

and i notice that it has a lot of duplicated geometry, doesn't effect look but 
does slow down rendering.



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Comment By: simon (simonplace)
Date: 2011-11-22 14:14

Message:
you could get an even bigger size reduction using prototypes, which also
give you powerful hierarchical features, but as you say, if these files are
only used for interchange with other software or as-is then there is no
need for these.

and prototypes were taken out of the simplest profile of x3d, so might not
be available on very basic x3d browsers, on the other hand i've never seen
one that didn't do prototypes.


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Comment By: simon (simonplace)
Date: 2011-11-22 14:11

Message:
first, thanks for bothering with this now its turned into an off-bug
conversation.

obviously the original bug, was fixed.

so all im saying now is that DEF/USE made in much harder for me to directly
fix that now non-existent problem.

but i mentioned this because i was originally impressed by this concept, (i
think directly stated by the designers); that vrml could have the benefits
of verbosity, being human readable and text editor editable, but not suffer
from large files by mandating the support for gzip.



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Comment By: simon (simonplace)
Date: 2011-11-22 14:11

Message:
" I think you mean that when you remove the extra atoms, the file size goes
down by 25%"

no, its when you get rid of the DEF/USE, it goes up by 25%, ( so DEF/USE
gives you about a 20% reduction) 

but, i think up too 50% size reduction, on very large files.

using gzip generally gets you 80%.

and as i said, a gzipped vrml is still vrml, ( but a zipped (pkzip) vrml
file is not.)

(so up to ~90% on very big files, by using both together.)



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Comment By: Angel Herraez (aherraez)
Date: 2011-11-22 01:07

Message:
Simon,
The first version we had of the exporter declared every single atom and
bond as a separate object. Then this DEF/USE method allowed to reduce size
considerably, as Bob has pointed out.

As far as I remember, there are some gzipped files in the example set. Jmol
does not produce them, but you can gzip the output for any further use.

If there is improvement in the algorithm, I will try to update the sample
files with a more modern version. As I said at the beginning, these
examples were old --and meant to illustrate Jmol capabilities, which they
still do.

I agree that the idea is to improve the algorithm, not to get files. But
cases and causes must be identified precisely for that. According to Bob's
post, that's on the way.




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Comment By: Bob Hanson (hansonr)
Date: 2011-11-21 18:28

Message:
Not sure what you mean by "that file goes up 25%" -- I think you mean that
when you remove the extra atoms, the file size goes down by 25%. In any
case, I've checked in code that removes in-atom bond spherical ends. That's
not exactly correct in all cases, but it should be OK for any real case. 

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Comment By: simon (simonplace)
Date: 2011-11-21 17:02

Message:
did a quick edit and that file goes up +25%.

BTW the vrml spec requires support for gzip, a gzipped vrml file is a vrml
file, and that gets you -80%.

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Comment By: Bob Hanson (hansonr)
Date: 2011-11-21 16:47

Message:
DEF/USE is saving HUGELY on space. The files aren't meant to be edited by
hand. Why not just create your own files from alanine. For example:

load ==ALA
write ala.x3d

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Comment By: simon (simonplace)
Date: 2011-11-21 16:47

Message:
so thinking bout it, maybe a switch, particularly with the old styte VRML
output, for not using DEF/USE, would be really nice.

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Comment By: simon (simonplace)
Date: 2011-11-21 16:44

Message:
and, in a related point, with all the DEF/USE in there it makes it quite
difficult to edit the files by hand, and i don't see much, if any, benefit
in it, just directly using the built-in spheres and cylinders all the way
through, would result in hardly any bigger file, but a MUCH more readable
and editable one.

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Comment By: simon (simonplace)
Date: 2011-11-21 16:37

Message:
i did, i was reporting the problem to be helpful, actually all i did was
remove all the small spheres in the block altogether, they all seemed
redundant, as they are inside the big spheres, i did think they might be
there for switching between visualisation forms, but not  fully implemented
or something, so i didn't report that.

no particular file needed but a range would be nice, i dont really want to
start editing them all, it defeats the point, i'll go look for x3d
molecules on google again.


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Comment By: Bob Hanson (hansonr)
Date: 2011-11-21 16:28

Message:
If you need that particular file, just pull out the duplicates yourself.
There can't be that many; it's only 200 lines, right?

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Comment By: simon (simonplace)
Date: 2011-11-21 16:23

Message:
OK.

any way to know where to find a new x3d file?


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Comment By: Bob Hanson (hansonr)
Date: 2011-11-21 16:17

Message:
Oh, I see. These are the small spheres that cap the bonds. That was fixed
some time ago; this file is old, that's all.

name='generator' content='Jmol 11.9.23  2010-01-28'

Ancient history!




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Comment By: simon (simonplace)
Date: 2011-11-21 16:08

Message:
what?

176 = 188
191 = 164
165 = 152

and those took 1 minute to find.

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Comment By: Angel Herraez (aherraez)
Date: 2011-11-21 16:01

Message:
Well, that's one. But not "a lot". I see no other.

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Comment By: simon (simonplace)
Date: 2011-11-21 15:45

Message:
try

geometry at line 189 == that at line 201

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Comment By: Bob Hanson (hansonr)
Date: 2011-11-21 15:15

Message:
I give up. I can't find the duplication....

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Comment By: Angel Herraez (aherraez)
Date: 2011-11-21 13:49

Message:
I will have a look at it. Maybe it was produced with al old version of Jmol
wich was not yet optimized.


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