RDKit learns how to query Atom/Bond properties

QueryBond qB;
  qB.setQuery(makePropQuery<Bond, double>("foo", 2));

  QueryAtom qA;
  qA.setQuery(makePropQuery<Atom, string>("foo", “bar”));
This commit is contained in:
Brian Kelley
2015-02-27 08:28:17 -05:00
parent 7a8df171d0
commit 7fcf0bda9e
3 changed files with 97 additions and 57 deletions

View File

@@ -323,9 +323,4 @@ ATOM_NULL_QUERY *makeAtomNullQuery(){
return res;
}
ATOM_PROP_QUERY *makeAtomHasPropQuery(const std::string &property)
{
return new AtomHasPropQuery(property);
}
};