Egon Willighagen <[EMAIL PROTECTED]> wrote: > On Monday 29 January 2007, Nina Jeliazkova wrote: > > Some solutions to be discussed: > > - introduce something like "translator facility" to perform translation > > property_name_in_file -> property_name_to_use_in_this_software > > > > - separate properties into different Hashmaps - like identifiers (cas, > > names), descriptors, measured properties, etc. > > > > Does something like this already exist in CDK? > > CML has a good approach in this: use dictionaries. These dictionaries describe > > what a certain 'label' means. For example, it could define > "CAS RC" to be equivalent to "CAS" etc. OWL is very much suited for this. > > Remains, however, that these dictionaries need to be written, which really is > the responsibility of the program (author) who write the file that uses that > dictionary... > > OWL also allows classification of entries, e.g. done in the blue obelisk > algorithm dictionary (see the BO article in JCIM). Based on such > classification, we could set up a tool to split up properties according to > such a classification. >
Thanks, will have a look. > Now, MDL molfile is not really the suitable format for this, and suggest the > use of CML instead. Nevertheless, we could do something similar for MDL > molfiles too, though this would be an undocumented convention. CML at least > allows specificing that. Well, while I aggree CML is better, I am not sure users will be happy to change habits (and existing MDL files). I might not be clear, but my thoughts were more about structures in memory, rather than how info is stored in files. Best regards, Nina > > Egon ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys - and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
