Re: [Jmol-users] Local Storage Revisited

2014-08-25 Thread Rzepa, Henry S

 On 25 Aug 2014, at 06:55, Otis Rothenberger osrot...@chemagic.com wrote:
 
 This is still pretty rough, but it illustrates the use of local storage for 
 an approach to student class notes:
 
 http://chemagic.com/JSmolVMK2.htm
 
 Local storage is being used on two control button screens on this page - Draw 
 and Notes-Misc.
 
 On the Draw button screen, 10 JSME structures can be saved/retrieved to/from 
 local storage.
 
 On the Notes-Misc button screen, 10 Jmol models can be saved/retrieved 
 to/from local storage. There is also a text area for student notes. Student 
 notes in this area are auto saved to local storage as they are typed. This 
 screen also has  back-up and erase links for local storage. The back-up link 
 produces cut/paste JSON text that can be used to transfer the data to another 
 browser/computer or simply saved as a text file for data back-up 
 (instructions on Jmol echo window). The erase link erases local storage for 
 this domain. I can envision notes being archived in files according to topic 
 and being loaded as needed.
 
 Like I mentioned before, this storage is analogous to cookies, but the 
 storage limit is about 5Mb. Ten cholesterol models, ten cholesterol 
 structures, and pages of blah blah blah notes took up a trivial amount of 
 total space allowed.
   
 The data is persistent until erased or replaced. The auto saved notes reload 
 when the page is opened in the browser of the original save or when a back-up 
 JSON is loaded into a new browser.
 
 There is some error checking, but I still have a lot of work to do on this. 
 The code for working with local storage is amazingly simple to use. I'm 
 interested in any feedback on how various browsers and platforms respond to 
 all of this.
 
 Otis
 


I fully support this very exciting possibility.  Otis and  I discussed the 
potential of eg annotating with a web browser aka https://www.diigo.com/ some 
months back, but for many reasons this approach seems so much better than 
either  Diigo or  Cookies
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[Jmol-users] A freeze-up scenario

2014-08-25 Thread Ron Mignery
The following script causes the Jmol application to freeze after the
translate command.  This does not happen if the dots on command is
commented out.
zap
print _version
set appendNew false
x1 =data \append a\\nATOM  1  N   GLY A   1   0.000   0.000
0.000\nend \append a\
x2 =data \append a\\nATOM  2  CA  GLY A   1   0.200   1.174
0.911\nend \append a\
x3 =data \append a\\nATOM  3  C   GLY A   1  -1.110   1.668
1.425\nend \append a\
x4 =data \append a\\nATOM  4  O   GLY A   1  -1.320   1.693
2.620\nend \append a\
script inline @x1
script inline @x2
script inline @x3
script inline @x4
connect
cpk 100
dots on
delete @2
script inline @x2
connect
cpk 100
select @2
print before
translate selected {1 1 1}
print after

Results:
1402004
appendNew = false
1 atoms deleted
1 atoms selected
before[application is now irrecoverably frozen]
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[Jmol-users] JspecView file path

2014-08-25 Thread Jennifer L. Muzyka
I am trying to figure out why we have no trouble with current files in the in 
the Spectral Zoo (http://chemserv.centre.edu/listing3.php?cat=nmr) but we 
cannot see “archived files” that are nested in a folder.  I suspect it has to 
do with the file paths.  The error we see says 
“java.lang.NumberFortmatException:  Not a Number: —“  That’s confusing to me, 
since we are using JSmol and the JS version of JSpecView.  But maybe that 
message has significance to others.

I welcome any suggestions about how to modify things so that we can see files 
buried in folders.  It gets cumbersome for all of the files to be in the main 
folder.
Jennifer





Jennifer Muzyka
Professor of Chemistry
Centre College
600 West Walnut Street
Danville, KY  40422

jennifer.muz...@centre.edumailto:jennifer.muz...@centre.edu
http://web.centre.edu/muzyka
http://organicers.org

859-238-5413
fax 859-236-7925





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Re: [Jmol-users] JspecView file path

2014-08-25 Thread Otis Rothenberger

Hi Jennifer,

This is just a wild guess, but you have spaces in some folder names that 
are being URL encoded to +. That could be messing up attempts to 
interpret the query string. The error suggests that something in your 
code expects a number. The + could be forcing that issue.


Otis


Jennifer L. Muzyka mailto:jennifer.muz...@centre.edu
August 25, 2014 at 2:54 PM
I am trying to figure out why we have no trouble with current files in 
the in the Spectral Zoo 
(http://chemserv.centre.edu/listing3.php?cat=nmr) but we cannot see 
“archived files” that are nested in a folder.  I suspect it has to do 
with the file paths.  The error we see says 
“java.lang.NumberFortmatException:  Not a Number: —“  That’s confusing 
to me, since we are using JSmol and the JS version of JSpecView.  But 
maybe that message has significance to others.


I welcome any suggestions about how to modify things so that we can 
see files buried in folders.  It gets cumbersome for all of the files 
to be in the main folder.

Jennifer





Jennifer Muzyka
Professor of Chemistry
Centre College
600 West Walnut Street
Danville, KY  40422

jennifer.muz...@centre.edu mailto:jennifer.muz...@centre.edu
http://web.centre.edu/muzyka
http://organicers.org

859-238-5413
fax 859-236-7925





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--
Otis Rothenberger
o...@chemagic.com
http://chemagic.com

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Re: [Jmol-users] A freeze-up scenario

2014-08-25 Thread Robert Hanson
indeed it does! I will get a corrected version up at chemapps tonight.


On Mon, Aug 25, 2014 at 11:59 AM, Ron Mignery remign...@gmail.com wrote:

 The following script causes the Jmol application to freeze after the
 translate command.  This does not happen if the dots on command is
 commented out.
 zap
 print _version
 set appendNew false
 x1 =data \append a\\nATOM  1  N   GLY A   1   0.000   0.000
 0.000\nend \append a\
 x2 =data \append a\\nATOM  2  CA  GLY A   1   0.200   1.174
 0.911\nend \append a\
 x3 =data \append a\\nATOM  3  C   GLY A   1  -1.110   1.668
 1.425\nend \append a\
 x4 =data \append a\\nATOM  4  O   GLY A   1  -1.320   1.693
 2.620\nend \append a\
 script inline @x1
 script inline @x2
 script inline @x3
 script inline @x4
 connect
 cpk 100
 dots on
 delete @2
 script inline @x2
 connect
 cpk 100
 select @2
 print before
 translate selected {1 1 1}
 print after

 Results:
 1402004
 appendNew = false
 1 atoms deleted
 1 atoms selected
 before[application is now irrecoverably frozen]


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-- 
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department 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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Re: [Jmol-users] JspecView file path

2014-08-25 Thread Robert Hanson
I think it is something with the format of those files, nothing more.

Check the console. You have disabled the console on that page by using

Info.console = consolediv and then not providing that. So first remove
that assignment and then, after the problem, from the developer console
issue:

jsv._showInfo(true)


and see what it says there.



On Mon, Aug 25, 2014 at 1:54 PM, Jennifer L. Muzyka 
jennifer.muz...@centre.edu wrote:

  I am trying to figure out why we have no trouble with current files in
 the in the Spectral Zoo (http://chemserv.centre.edu/listing3.php?cat=nmr)
 but we cannot see “archived files” that are nested in a folder.  I suspect
 it has to do with the file paths.  The error we see says
 “java.lang.NumberFortmatException:  Not a Number: —“  That’s confusing to
 me, since we are using JSmol and the JS version of JSpecView.  But maybe
 that message has significance to others.

  I welcome any suggestions about how to modify things so that we can see
 files buried in folders.  It gets cumbersome for all of the files to be in
 the main folder.
 Jennifer





   Jennifer Muzyka
 Professor of Chemistry
 Centre College
 600 West Walnut Street
 Danville, KY  40422

  jennifer.muz...@centre.edu
 http://web.centre.edu/muzyka
 http://organicers.org

  859-238-5413
 fax 859-236-7925







 --
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 Video for Nerds.  Stuff that matters.
 http://tv.slashdot.org/
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 Jmol-users mailing list
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-- 
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department 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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[Jmol-users] jmol-14.3.7_2014.08.25.zip

2014-08-25 Thread Robert Hanson
http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.7_2014.08.25.zip

Just one minor fix, but what is perhaps interesting here is some low-level
rewriting I did of a couple of core JavaScript implementations of Java
classes (ArrayList, Hashtable) as well as the main j2sjmol.js library code
that looks like it is speeding up some processes by up to 10-15%. The core
methods in those important and much-used classes were somewhat inefficient.

___JmolVersion=14.3.7_2014.08.25

bug fix: translation of atoms after deleting atoms having dots on crashes
Jmol

I hope to synchronize this with 14.2 later this week.

Bob

-- 
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department 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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