Geoff, I'd like to get the atom alias for any atom in a molecule which have atom alias specified. I don't really care whether it's using "SetData" but I don't know any other way. The object returned by $atom->GetData() is of the type: Chemistry::OpenBabel::VectorpOBGenericData
>From there on, nothing really works, I cannot get to $ad (= Chemistry::OpenBabel::toSetData($n)) because I get the error: TypeError in method 'toSetData', argument 1 of type 'OpenBabel::OBGenericData *' Igor On Tue, 2011-03-29 at 13:07 -0400, Geoffrey Hutchison wrote: > > TypeError in method 'toSetData', argument 1 of type > > 'OpenBabel::OBGenericData *' > > > > Does it mean that the argument should not be an object returned by > > GetData()? What should it be then? > > It's been a while since I've used the Perl bindings. What does ref($ad) > return? > > Do you need to use the SetData hierarchy? I'm wondering if the extra > redirection is the issue. > > -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
