The following code uses the OEMolBase::GetTitle
method to list
the names of the molecules in an MDL SD file. The input file is read from
standard-in and the list of identifiers (molecule names) are written to
standard-out.
#include "oechem.h" #include <iostream> using namespace OEChem; using namespace OESystem; using namespace std; int main() { OEIter<OEMolBase> mol; oemolistream ims; ims.SetFormat(OEFormat::SDF); for (mol=ims.GetMolBases(); mol; ++mol) cout << mol->GetTitle() << endl; return 0; }