I'm not sure what's gong on. Can you file a bug report with an example molecule and Perl code?
- Noel On 22 March 2011 15:11, Igor Filippov [Contr] <filipp...@mail.nih.gov> wrote: > Noel, > > Thank you. I'm getting the following error though: > > 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? > > Best regards, > Igor > > On Tue, 2011-03-22 at 05:26 -0400, Noel O'Boyle wrote: >> You need to cast it to the specific subclass first. Try calling >> $newad = toSetData($ad) >> and then >> if ($newad && $newad->GetAlias() eq "Xx") >> >> - Noel >> >> On 21 March 2011 15:06, Igor Filippov [Contr] <filipp...@mail.nih.gov> wrote: >> > Dear Colleagues, >> > >> > I need to implement in Perl a procedure which is C++ looks like the >> > following: >> > .... >> > AliasData *ad; >> > ad = (AliasData *) a->GetData(OBGenericDataType::SetData); >> > if (ad != NULL && ad->GetAlias() == "Xx") >> > .... >> > >> > This is what I have at the moment and it does not work unfortunately: >> > .... >> > $ad=$atom->GetData($Chemistry::OpenBabel::OBGenericDataType::SetData); >> > if ($ad && $ad->GetAlias() eq "Xx") >> > .... >> > >> > It doesn't seem to work even if I replace >> > $Chemistry::OpenBabel::OBGenericDataType::SetData >> > with it's numerical value - 23. >> > >> > Any recommendations will be most welcome! >> > Igor >> > >> > >> > ------------------------------------------------------------------------------ >> > Colocation vs. Managed Hosting >> > A question and answer guide to determining the best fit >> > for your organization - today and in the future. >> > http://p.sf.net/sfu/internap-sfd2d >> > _______________________________________________ >> > OpenBabel-discuss mailing list >> > OpenBabel-discuss@lists.sourceforge.net >> > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> > > > > ------------------------------------------------------------------------------ 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-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
