Bugs item #3031481, was opened at 2010-07-19 09:56 Message generated for change (Tracker Item Submitted) made by martinguetlein You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3031481&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: Library Functions Group: 2.3.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: Martin Gütlein (martinguetlein) Assigned to: Nobody/Anonymous (nobody) Summary: segmentation fault in OBBuilder.Build() Initial Comment: Hello All, I came across an example that causes OBBuilder to produce a segmentation fault (g++ version is 4.4.3, openbabel-2.2.3). See code below. Best regards, Martin #include <iostream> #include <openbabel/mol.h> #include <openbabel/obconversion.h> #include <openbabel/builder.h> using namespace std; using namespace OpenBabel; int main(int argc,char **argv) { OBMol * mol = new OBMol(); OBConversion obconversion; obconversion.SetInFormat("smiles"); //obconversion.ReadString(mol, "C1(N=C(NC(C)C)N=C(N=1)OC)NC(C)C"); obconversion.ReadString(mol, "OC1=CC3=C([C@@]2([H])CC[C@@]4(C)[...@](CC[C@@H]4O)([H])[C@@]([H])2...@h](CCCCCCCCCS(CCCC(F)(F)C(F)(F)F)=O)C3)C=C1"); cout << "formula "<< mol->GetFormula() << "\n"; cout << "Has3D: " << mol->Has3D() << "\n"; OBBuilder builder; builder.Build(*mol); cout << "Has3D: " << mol->Has3D() << "\n"; delete(mol); return 0; } ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3031481&group_id=40728 ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel