* Wrong results for chemical structures and reactions
@ 2012-10-02 7:40 Marco Patzer
2012-10-02 8:06 ` Alan BRASLAU
[not found] ` <20121002115026.5b4f19f3@sole>
0 siblings, 2 replies; 4+ messages in thread
From: Marco Patzer @ 2012-10-02 7:40 UTC (permalink / raw)
To: context
Hi,
chemical structures and reactions produce wrong results. Here is one
example from the wiki and two from the manual.
\starttext
%% does not typeset the reaction, prints the commas, wrong spacing
%% and no arrow
\startformula
\chemical{2H_2,+,O_2,->,2H_2O}
\stopformula
%% same here, GIVES is not interpreted
\startformula
\chemical{A,GIVES,B,EQUILIBRIUM,C,MESOMERIC,D}
\stopformula
%% wrong alignment, rules overlay symbols
\startformula
\setupchemical
[width=fit,
height=fit,
scale=small,
size=small]
\startchemical
\chemical[ONE,Z0,DB1,SB46,MOV1,Z0,SB28][C,C]
\stopchemical
\startchemical
\chemical[SPACE,PLUS,SPACE]
\stopchemical
\startchemical
\chemical[ONE,Z0,SB146,Z6][N,H]
\stopchemical
\startchemical
\chemical[SPACE,GIVES,SPACE]
\stopchemical
\startchemical
\chemical[ONE,Z07,SB1357,MOV1,Z0,SB27,PB:Z2,ONE,Z0,SB13,PE][C,H,C,N]
\stopchemical
\stopformula
\stoptext
Am I missing something? Is this mechanism not supported any more or
just broken?
Marco
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^ permalink raw reply [flat|nested] 4+ messages in thread* Re: Wrong results for chemical structures and reactions
2012-10-02 7:40 Wrong results for chemical structures and reactions Marco Patzer
@ 2012-10-02 8:06 ` Alan BRASLAU
2012-10-02 8:36 ` Marco Patzer
[not found] ` <20121002115026.5b4f19f3@sole>
1 sibling, 1 reply; 4+ messages in thread
From: Alan BRASLAU @ 2012-10-02 8:06 UTC (permalink / raw)
To: mailing list for ConTeXt users
On Tue, 2 Oct 2012 09:40:35 +0200
Marco Patzer <homerow@lavabit.com> wrote:
> Hi,
>
> chemical structures and reactions produce wrong results. Here is one
> example from the wiki and two from the manual.
>
> \starttext
>
> %% does not typeset the reaction, prints the commas, wrong spacing
> %% and no arrow
> \startformula
> \chemical{2H_2,+,O_2,->,2H_2O}
> \stopformula
>
> %% same here, GIVES is not interpreted
> \startformula
> \chemical{A,GIVES,B,EQUILIBRIUM,C,MESOMERIC,D}
> \stopformula
>
> %% wrong alignment, rules overlay symbols
> \startformula
> \setupchemical
> [width=fit,
> height=fit,
> scale=small,
> size=small]
> \startchemical
> \chemical[ONE,Z0,DB1,SB46,MOV1,Z0,SB28][C,C]
> \stopchemical
> \startchemical
> \chemical[SPACE,PLUS,SPACE]
> \stopchemical
> \startchemical
> \chemical[ONE,Z0,SB146,Z6][N,H]
> \stopchemical
> \startchemical
> \chemical[SPACE,GIVES,SPACE]
> \stopchemical
> \startchemical
> \chemical[ONE,Z07,SB1357,MOV1,Z0,SB27,PB:Z2,ONE,Z0,SB13,PE][C,H,C,N]
> \stopchemical
> \stopformula
>
> \stoptext
>
> Am I missing something? Is this mechanism not supported any more or
> just broken?
>
>
> Marco
\startchemicalformula
not
\startformula
\startchemicalformula
\chemical{2H_2}
\chemical{PLUS}
\chemical{O_2}
\chemical{GIVES}
\chemical{2H_2O}
\stopchemicalformula
Also, the shorthand "+" for "PLUS", "->" for "GIVES", etc.
seems to be interpreted only inline, not in displayed chemical formula
mode.
I am working (with Hans) to correct the mkiv chemical code,
which has been completely re-written (from ppchTeX macros).
Also working on a new manual, at the same time...
Alan
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^ permalink raw reply [flat|nested] 4+ messages in thread* Re: Wrong results for chemical structures and reactions
2012-10-02 8:06 ` Alan BRASLAU
@ 2012-10-02 8:36 ` Marco Patzer
0 siblings, 0 replies; 4+ messages in thread
From: Marco Patzer @ 2012-10-02 8:36 UTC (permalink / raw)
To: context
2012-10-02 Alan BRASLAU <alan.braslau@cea.fr>:
Hi Alan
> > chemical structures and reactions produce wrong results. Here is one
> > example from the wiki and two from the manual.
> >
> > […]
> >
> \startchemicalformula
> not
> \startformula
>
> \startchemicalformula
> \chemical{2H_2}
> \chemical{PLUS}
> \chemical{O_2}
> \chemical{GIVES}
> \chemical{2H_2O}
> \stopchemicalformula
The spacing is still wrong. Compare:
\starttext
\chemical{2H_2,+,O_2,->,2H_2O}\blank
\startchemicalformula
\chemical{2H_2}
\chemical{PLUS}
\chemical{O_2}
\chemical{GIVES}
\chemical{2H_2O}
\stopchemicalformula
\stoptext
How to mid-align the reaction? Wrapping the \startchemicalformula in
\startformula works, but it's clumsy.
> Also, the shorthand "+" for "PLUS", "->" for "GIVES", etc.
> seems to be interpreted only inline, not in displayed chemical formula
> mode.
>
>
> I am working (with Hans) to correct the mkiv chemical code,
> which has been completely re-written (from ppchTeX macros).
> Also working on a new manual, at the same time...
That's brilliant!
Marco
___________________________________________________________________________________
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maillist : ntg-context@ntg.nl / http://www.ntg.nl/mailman/listinfo/ntg-context
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___________________________________________________________________________________
^ permalink raw reply [flat|nested] 4+ messages in thread
[parent not found: <20121002115026.5b4f19f3@sole>]
* Re: Wrong results for chemical structures and reactions
[not found] ` <20121002115026.5b4f19f3@sole>
@ 2012-10-02 10:16 ` Marco Patzer
0 siblings, 0 replies; 4+ messages in thread
From: Marco Patzer @ 2012-10-02 10:16 UTC (permalink / raw)
To: context
2012-10-02 Alan BRASLAU <alan.braslau@cea.fr>:
> Try the following:
>
> \starttext
>
> \startchemicalformula
> \chemical{2H_2}
> \chemical{+}
> \chemical{O_2}
> \chemical{->}
> \chemical{2H_2O}
> \stopchemicalformula
\chemical{->} is not rendered correctly.
> \startchemicalformula
> \chemical{2H_2}
> \chemical{PLUS}
> \chemical{O_2}
> \chemical{GIVES}
> \chemical{2H_2O}
> \stopchemicalformula
The spacing is wrong. The following yields to better spacing:
\startchemicalformula
\chemical{2H_2}
\chemical{PLUS}
\chemical{}
\chemical{O_2}
\chemical{GIVES}
\chemical{}
\chemical{2H_2O}
\stopchemicalformula
> \startchemicalformula
> \chemical{A}
> \chemical{GIVES}
> \chemical{B}
> \chemical{EQUILIBRIUM}
> \chemical{C}
> \chemical{MESOMERIC}
> \chemical{D}
> \stopchemicalformula
Same spacing problem, workaround: \chemical{}
> \setupchemical
> [width=fit,
> height=fit,
> scale=small,
> size=small]
>
> \hbox{
> \startchemical
> \chemical[ONE,Z0,DB1,SB46,MOV1,Z0,SB28][C,C]
> \stopchemical
> \startchemicalformula
> \chemical{PLUS}
> \stopchemicalformula
> \startchemical
> \chemical[ONE,Z0,SB146,Z6][N,H]
> \stopchemical
> \startchemicalformula
> \chemical{GIVES}
> \stopchemicalformula
> \startchemical
> \chemical[ONE,Z07,SB1357,MOV1,Z0,SB27,MOV2,Z0,SB13][C,H,C,N]
> \stopchemical
> }
Worse than before.
> 3. I believe that the syntax should be rationalized, but I will have to
> discuss this further with Hans. Normally, commands have keywords
> between [] and text to be typeset between {}. This would mean
> \startchemical
> \chemical[ONE,Z0,SB146,Z6]{N}{H}
> \stopchemical
>
> Alternatively:
> \startchemical
> \chemical[ONE,Z0=N,SB146,Z6=H]
> \stopchemical
> but currently this puts "N" and "H" into lowercase as "n" and "h"
> as a side effect of the way that Hans wrote the lua code.
If you redo the syntax: My suggestion would be to try to reduce the
use of the string “chemical” if that's feasible.
> How to deal with inline equations, as in \chemical{2H_2,+,O_2,->,2H_2O}?
> I would think that it could work as does math mode:
> \chemical{2H_2 + O_2 -> 2H_2O} (no commas) with spaces (or none)
> delimiting the keywords.
That looks more practical.
> Hans will have to answer me on this. We need to be a bit patient,
I don't need that now. For the current project all structures look
fine (ugly hacks included :). You may consider my comments above
when you (or Hans) are redoing the code. Thanks for the
\startchemicalformula hint, that was the missing piece.
> as I'm sure that he is currently VERY busy preparing for EuroTeX 2012!
Sure. Unfortunately I cannot come, I can't get a week off and for
1-2 days it's too far.
Marco
___________________________________________________________________________________
If your question is of interest to others as well, please add an entry to the Wiki!
maillist : ntg-context@ntg.nl / http://www.ntg.nl/mailman/listinfo/ntg-context
webpage : http://www.pragma-ade.nl / http://tex.aanhet.net
archive : http://foundry.supelec.fr/projects/contextrev/
wiki : http://contextgarden.net
___________________________________________________________________________________
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2012-10-02 7:40 Wrong results for chemical structures and reactions Marco Patzer
2012-10-02 8:06 ` Alan BRASLAU
2012-10-02 8:36 ` Marco Patzer
[not found] ` <20121002115026.5b4f19f3@sole>
2012-10-02 10:16 ` Marco Patzer
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