On Mar 29, 2011, at 1:14 PM, Igor Filippov [Contr] wrote: > The object returned by $atom->GetData() is of the type: > Chemistry::OpenBabel::VectorpOBGenericData
Yeah, that's not a SetData. Perl is telling us, it's vector<OBGenericData*> in the C++ datatype. But I can guarantee that entry will be empty. You're getting things mixed up, now that I look at your script. When you read an MDL file, each atom gets an OBAliasData entry, with "AliasDataType" index. Right now, the Perl bindings don't have a cast to AliasData*, but I can go add that. Shouldn't be much of a problem. -Geoff ------------------------------------------------------------------------------ Enable your software for Intel(R) Active Management Technology to meet the growing manageability and security demands of your customers. Businesses are taking advantage of Intel(R) vPro (TM) technology - will your software be a part of the solution? Download the Intel(R) Manageability Checker today! http://p.sf.net/sfu/intel-dev2devmar _______________________________________________ OpenBabel-scripting mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-scripting
