Re: [Jmol-users] Compare Seems to Be Broken 14.6.0_2016 05 24

2016-06-17 Thread Otis Rothenberger 
Bob,

If it helps, 14.4.4_2016.03.25 is a few days after you fixed the click invert 
and compare IS WORKING in this version.

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

> On Jun 16, 2016, at 3:40 PM, Otis Rothenberger  wrote:
> 
> Bob,
> 
> I think compare might be broken in 14.6.0_2016 05 24. The following script 
> reports diastereomers when enantiomers are in the window:
> 
> var i = {*}.atomno.max + 1;var t = {*}.atomno.min;select within(branch, 
> {atomno=i}, {atomno=t});var x = compare({selected}, {not selected}, 
> "ISOMER");print x
> 
> 05 17 on the test2.html page shows the same result.
> 
> Perhaps it’s the selection method, but playing with coloring atoms to follow 
> selections suggests that my selection is OK.
> 
> Wild Guess: A while back the act of click inversion was broken, and you fixed 
> it. Is it possible that the following line in SmilesMatcher.js was affected 
> by the click inversion fix?
> 
> check = (this.areEqual ("/invertstereo/" + smiles2, smiles1) > 0);
> 
> Otis
> 
> --
> Otis Rothenberger
> o...@chemagic.org
> http://chemagic.org
> 


--
What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic
patterns at an interface-level. Reveals which users, apps, and protocols are 
consuming the most bandwidth. Provides multi-vendor support for NetFlow, 
J-Flow, sFlow and other flows. Make informed decisions using capacity planning
reports. http://sdm.link/zohomanageengine
___
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users

Re: [Jmol-users] Compare Seems to Be Broken 14.6.0_2016 05 24

2016-06-22 Thread Robert Hanson 
Yes, that helps. Broken in 14.5.5. Fixed in next release. (tonight)

On Fri, Jun 17, 2016 at 10:54 AM, Otis Rothenberger 
wrote:

> Bob,
>
> If it helps, 14.4.4_2016.03.25 is a few days after you fixed the click
> invert and compare IS WORKING in this version.
>
> Otis
> --
> Otis Rothenberger
> o...@chemagic.org
> http://chemagic.org
>
> > On Jun 16, 2016, at 3:40 PM, Otis Rothenberger 
> wrote:
> >
> > Bob,
> >
> > I think compare might be broken in 14.6.0_2016 05 24. The following
> script reports diastereomers when enantiomers are in the window:
> >
> > var i = {*}.atomno.max + 1;var t = {*}.atomno.min;select within(branch,
> {atomno=i}, {atomno=t});var x = compare({selected}, {not selected},
> "ISOMER");print x
> >
> > 05 17 on the test2.html page shows the same result.
> >
> > Perhaps it’s the selection method, but playing with coloring atoms to
> follow selections suggests that my selection is OK.
> >
> > Wild Guess: A while back the act of click inversion was broken, and you
> fixed it. Is it possible that the following line in SmilesMatcher.js was
> affected by the click inversion fix?
> >
> > check = (this.areEqual ("/invertstereo/" + smiles2, smiles1) > 0);
> >
> > Otis
> >
> > --
> > Otis Rothenberger
> > o...@chemagic.org
> > http://chemagic.org
> >
>
>
>
> --
> What NetFlow Analyzer can do for you? Monitors network bandwidth and
> traffic
> patterns at an interface-level. Reveals which users, apps, and protocols
> are
> consuming the most bandwidth. Provides multi-vendor support for NetFlow,
> J-Flow, sFlow and other flows. Make informed decisions using capacity
> planning
> reports. http://sdm.link/zohomanageengine
> ___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>



-- 
Robert M. Hanson
Larson-Anderson 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
--
Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San
Francisco, CA to explore cutting-edge tech and listen to tech luminaries
present their vision of the future. This family event has something for
everyone, including kids. Get more information and register today.
http://sdm.link/attshape___
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users

Re: [Jmol-users] Compare Seems to Be Broken 14.6.0_2016 05 24

2016-06-22 Thread Philip Bays 
Steve was actually looking at ones that were nominally mine.  I know one was my 
laptop and another was the desktop.   I think we had some mac laptops at one 
point that are gone.   All of the ip’s he had for for Apple devices.   We 
decided to cancel them all and see who complains:-)


> On Jun 22, 2016, at 1:03 PM, Robert Hanson  wrote:
> 
> Yes, that helps. Broken in 14.5.5. Fixed in next release. (tonight)
> 
> On Fri, Jun 17, 2016 at 10:54 AM, Otis Rothenberger  > wrote:
> Bob,
> 
> If it helps, 14.4.4_2016.03.25 is a few days after you fixed the click invert 
> and compare IS WORKING in this version.
> 
> Otis
> --
> Otis Rothenberger
> o...@chemagic.org 
> http://chemagic.org 
> 
> > On Jun 16, 2016, at 3:40 PM, Otis Rothenberger  > > wrote:
> >
> > Bob,
> >
> > I think compare might be broken in 14.6.0_2016 05 24. The following script 
> > reports diastereomers when enantiomers are in the window:
> >
> > var i = {*}.atomno.max + 1;var t = {*}.atomno.min;select within(branch, 
> > {atomno=i}, {atomno=t});var x = compare({selected}, {not selected}, 
> > "ISOMER");print x
> >
> > 05 17 on the test2.html page shows the same result.
> >
> > Perhaps it’s the selection method, but playing with coloring atoms to 
> > follow selections suggests that my selection is OK.
> >
> > Wild Guess: A while back the act of click inversion was broken, and you 
> > fixed it. Is it possible that the following line in SmilesMatcher.js was 
> > affected by the click inversion fix?
> >
> > check = (this.areEqual ("/invertstereo/" + smiles2, smiles1) > 0);
> >
> > Otis
> >
> > --
> > Otis Rothenberger
> > o...@chemagic.org 
> > http://chemagic.org 
> >
> 
> 
> --
> What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic
> patterns at an interface-level. Reveals which users, apps, and protocols are
> consuming the most bandwidth. Provides multi-vendor support for NetFlow,
> J-Flow, sFlow and other flows. Make informed decisions using capacity planning
> reports. http://sdm.link/zohomanageengine 
> ___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net 
> https://lists.sourceforge.net/lists/listinfo/jmol-users 
> 
> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson 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
> 
> --
> Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San
> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
> present their vision of the future. This family event has something for
> everyone, including kids. Get more information and register today.
> http://sdm.link/attshape___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users

Philip Bays
Emeritus Professor of Chemistry
Saint Mary's College
Notre Dame, IN 46556
pb...@saintmarys.edu


--
Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San
Francisco, CA to explore cutting-edge tech and listen to tech luminaries
present their vision of the future. This family event has something for
everyone, including kids. Get more information and register today.
http://sdm.link/attshape___
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users

Re: [Jmol-users] Compare Seems to Be Broken 14.6.0_2016 05 24

2016-06-23 Thread Robert Hanson 
??

On Wed, Jun 22, 2016 at 2:16 PM, Philip Bays  wrote:

> Steve was actually looking at ones that were nominally mine.  I know one
> was my laptop and another was the desktop.   I think we had some mac
> laptops at one point that are gone.   All of the ip’s he had for for Apple
> devices.   We decided to cancel them all and see who complains:-)
>
>
> On Jun 22, 2016, at 1:03 PM, Robert Hanson  wrote:
>
> Yes, that helps. Broken in 14.5.5. Fixed in next release. (tonight)
>
> On Fri, Jun 17, 2016 at 10:54 AM, Otis Rothenberger 
> wrote:
>
>> Bob,
>>
>> If it helps, 14.4.4_2016.03.25 is a few days after you fixed the click
>> invert and compare IS WORKING in this version.
>>
>> Otis
>> --
>> Otis Rothenberger
>> o...@chemagic.org
>> http://chemagic.org
>>
>> > On Jun 16, 2016, at 3:40 PM, Otis Rothenberger 
>> wrote:
>> >
>> > Bob,
>> >
>> > I think compare might be broken in 14.6.0_2016 05 24. The following
>> script reports diastereomers when enantiomers are in the window:
>> >
>> > var i = {*}.atomno.max + 1;var t = {*}.atomno.min;select within(branch,
>> {atomno=i}, {atomno=t});var x = compare({selected}, {not selected},
>> "ISOMER");print x
>> >
>> > 05 17 on the test2.html page shows the same result.
>> >
>> > Perhaps it’s the selection method, but playing with coloring atoms to
>> follow selections suggests that my selection is OK.
>> >
>> > Wild Guess: A while back the act of click inversion was broken, and you
>> fixed it. Is it possible that the following line in SmilesMatcher.js was
>> affected by the click inversion fix?
>> >
>> > check = (this.areEqual ("/invertstereo/" + smiles2, smiles1) > 0);
>> >
>> > Otis
>> >
>> > --
>> > Otis Rothenberger
>> > o...@chemagic.org
>> > http://chemagic.org
>> >
>>
>>
>>
>> --
>> What NetFlow Analyzer can do for you? Monitors network bandwidth and
>> traffic
>> patterns at an interface-level. Reveals which users, apps, and protocols
>> are
>> consuming the most bandwidth. Provides multi-vendor support for NetFlow,
>> J-Flow, sFlow and other flows. Make informed decisions using capacity
>> planning
>> reports. http://sdm.link/zohomanageengine
>> ___
>> Jmol-users mailing list
>> Jmol-users@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>
>
>
> --
> Robert M. Hanson
> Larson-Anderson 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
>
>
> --
> Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San
> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
> present their vision of the future. This family event has something for
> everyone, including kids. Get more information and register today.
> http://sdm.link/attshape___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
> Philip Bays
> Emeritus Professor of Chemistry
> Saint Mary's College
> Notre Dame, IN 46556
> pb...@saintmarys.edu
>
>
>
>
> --
> Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San
> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
> present their vision of the future. This family event has something for
> everyone, including kids. Get more information and register today.
> http://sdm.link/attshape
> ___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>


-- 
Robert M. Hanson
Larson-Anderson 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
--
Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San
Francisco, CA to explore cutting-edge tech and listen to tech luminaries
present their vision of the future. This family event has something for
everyone, including kids. Get more information and register today.
http://sdm.link/attshape___
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users

Re: [Jmol-users] Compare Seems to Be Broken 14.6.0_2016 05 24

2016-06-23 Thread Philip Bays 
Sorry.  Intended for someone else.


> On Jun 23, 2016, at 10:14 AM, Robert Hanson  wrote:
> 
> ??
> 
> On Wed, Jun 22, 2016 at 2:16 PM, Philip Bays  > wrote:
> Steve was actually looking at ones that were nominally mine.  I know one was 
> my laptop and another was the desktop.   I think we had some mac laptops at 
> one point that are gone.   All of the ip’s he had for for Apple devices.   We 
> decided to cancel them all and see who complains:-)
> 
> 
>> On Jun 22, 2016, at 1:03 PM, Robert Hanson > > wrote:
>> 
>> Yes, that helps. Broken in 14.5.5. Fixed in next release. (tonight)
>> 
>> On Fri, Jun 17, 2016 at 10:54 AM, Otis Rothenberger > > wrote:
>> Bob,
>> 
>> If it helps, 14.4.4_2016.03.25 is a few days after you fixed the click 
>> invert and compare IS WORKING in this version.
>> 
>> Otis
>> --
>> Otis Rothenberger
>> o...@chemagic.org 
>> http://chemagic.org 
>> 
>> > On Jun 16, 2016, at 3:40 PM, Otis Rothenberger > > > wrote:
>> >
>> > Bob,
>> >
>> > I think compare might be broken in 14.6.0_2016 05 24. The following script 
>> > reports diastereomers when enantiomers are in the window:
>> >
>> > var i = {*}.atomno.max + 1;var t = {*}.atomno.min;select within(branch, 
>> > {atomno=i}, {atomno=t});var x = compare({selected}, {not selected}, 
>> > "ISOMER");print x
>> >
>> > 05 17 on the test2.html page shows the same result.
>> >
>> > Perhaps it’s the selection method, but playing with coloring atoms to 
>> > follow selections suggests that my selection is OK.
>> >
>> > Wild Guess: A while back the act of click inversion was broken, and you 
>> > fixed it. Is it possible that the following line in SmilesMatcher.js was 
>> > affected by the click inversion fix?
>> >
>> > check = (this.areEqual ("/invertstereo/" + smiles2, smiles1) > 0);
>> >
>> > Otis
>> >
>> > --
>> > Otis Rothenberger
>> > o...@chemagic.org 
>> > http://chemagic.org 
>> >
>> 
>> 
>> --
>> What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic
>> patterns at an interface-level. Reveals which users, apps, and protocols are
>> consuming the most bandwidth. Provides multi-vendor support for NetFlow,
>> J-Flow, sFlow and other flows. Make informed decisions using capacity 
>> planning
>> reports. http://sdm.link/zohomanageengine 
>> ___
>> Jmol-users mailing list
>> Jmol-users@lists.sourceforge.net 
>> https://lists.sourceforge.net/lists/listinfo/jmol-users 
>> 
>> 
>> 
>> 
>> -- 
>> Robert M. Hanson
>> Larson-Anderson 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
>> 
>> --
>> Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San
>> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
>> present their vision of the future. This family event has something for
>> everyone, including kids. Get more information and register today.
>> http://sdm.link/attshape___ 
>> 
>> Jmol-users mailing list
>> Jmol-users@lists.sourceforge.net 
>> https://lists.sourceforge.net/lists/listinfo/jmol-users 
>> 
> 
> Philip Bays
> Emeritus Professor of Chemistry
> Saint Mary's College
> Notre Dame, IN 46556
> pb...@saintmarys.edu 
> 
> 
> 
> --
> Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San
> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
> present their vision of the future. This family event has something for
> everyone, including kids. Get more information and register today.
> http://sdm.link/attshape 
> ___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net 
> https://lists.sourceforge.net/lists/listinfo/jmol-users 
> 
> 
> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hanso