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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