Hi Webster,
I am, unfortunately, not familiar enough with the way JDBC works to be able
to help here.
Isn't there some way you can execute the raw SQL command: "set
rdkit.do_chiral_sss=true"?
On Thu, Nov 14, 2019 at 9:41 PM Webster Homer <
webster.ho...@milliporesigma.com> wrote:
> I’m trying to understand how to set the rdkit.do_chiral_sss in Java.
>
>
>
> I would like to call RD Kit structure search from a Java application.
> However the way RD Kit depends upon setting some values in Postgresql via
> SET seems to be hard to do using JDBC. I am using JBoss Wildfly to host
> the application. The normal way to set up the database connection is via
> JNDI.
>
>
>
> It is not clear how to set the rdkit.do_chiral_sss variable for the
> search via JDBC.
>
>
>
> This does not work
>
> Context initCtx = new InitialContext();
>
> ds = (DataSource) initCtx.lookup("java:/jdbc/rdkit-sss");
>
> if (ds instanceof BaseDataSource) { // never true
>
> BaseDataSource bds = (BaseDataSource)ds;
>
> bds.setProperty("rdkit.do_chiral_sss",
> structureSearchRequest.isStereoSearch()? "true" : "false");
>
> } else {
>
> logger.error("Cannot set RD Kit session variables");
>
> }
>
>
>
>
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