Bug 115989

Summary: LibreLogo: Add functionality to generate chemical formulas
Product: LibreOffice Reporter: Volga <shanshandehongxing>
Component: graphics stackAssignee: Not Assigned <libreoffice-bugs>
Status: RESOLVED WONTFIX    
Severity: enhancement CC: nemeth, xiscofauli
Priority: medium    
Version: unspecified   
Hardware: All   
OS: All   
Whiteboard:
Crash report or crash signature: Regression By:
Bug Depends on:    
Bug Blocks: 104224    

Description Volga 2018-02-24 10:46:28 UTC 
Description:
With this function LibreLogo can be able to produce chemical formula images if user input SMILES or InChIKeys.

Steps to Reproduce:
-

Actual Results:  
-

Expected Results:
-


Reproducible: Always


User Profile Reset: No



Additional Info:


User-Agent: Mozilla/5.0 (Android 5.1.1; Mobile; rv:58.0) Gecko/58.0 Firefox/58.0
Comment 1 Xisco Faulí 2018-03-27 10:11:23 UTC 
@László Németh, What do you think about this enhancement ?
Comment 2 Alex Thurgood 2018-03-27 13:57:39 UTC 
(In reply to Volga from comment #0)
> Description:
> With this function LibreLogo can be able to produce chemical formula images
> if user input SMILES or InChIKeys.
> 

IMO, this is not a trivial undertaking. See for example:

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4486400/

Additionally, and for what it is worth, there is/was already an open source software program written in Python that can/could save chemical structure files to ODG format - it is/was called BKchem. It accepts SMILES and Inchlkey input (not perfectly, bu then Inchl is ambiguous for some structures, e.g. tautomers). 

Unfortunately, develoement of BKchem does appear to have stalled somewhat, the last release being in 2010.
Comment 3 Timur 2018-03-27 16:27:48 UTC 
Not widely used and probably not likely to be created in LO.
And there's ACD Chemsketch. So I'd rather first solved Bug 41228.
Comment 4 Alex Thurgood 2018-03-27 17:35:53 UTC 
I get where the request is coming from - it would be useful to have an open source chemical structure editor for LibreOffice, but it would probably be better to provide it as a separate extension rather than adding to LibreLogo.

As to comment 3, of course having ACD ChemSketch play nicely with LibreOffice would be nice too, but that is purely a Windows only program.
Comment 5 Xisco Faulí 2018-05-02 09:34:28 UTC 
(In reply to Alex Thurgood from comment #4)
> I get where the request is coming from - it would be useful to have an open
> source chemical structure editor for LibreOffice, but it would probably be
> better to provide it as a separate extension rather than adding to LibreLogo.
> 
> As to comment 3, of course having ACD ChemSketch play nicely with
> LibreOffice would be nice too, but that is purely a Windows only program.

I agree. If anybody wants to implement this feature, better to do it in an extension. Closing as RESOLVED WONTFIX for the time being...