Bugs item #2969937, was opened at 2010-03-13 19:17 Message generated for change (Tracker Item Submitted) made by tkjacobsen You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=2969937&group_id=40728
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: Pybel Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Troels Kofoed Jacobsen (tkjacobsen) Assigned to: Noel O'Boyle (baoilleach) Summary: vector, vector of vector3 not wrapped Initial Comment: It is currently not possible to get the content of a vector of a vector of vector3s. This means that it is impossible to get the forces from python. Consider the attached code. f = OBConformerData.GetForces() is of type: <Swig Object of type 'std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *' at 0x24bd7b0> ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=2969937&group_id=40728 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
