Bugs item #3031481, was opened at 2010-07-19 09:56
Message generated for change (Tracker Item Submitted) made by martinguetlein
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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;
}
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