#include "openeye.h" #include #include "oeplatform.h" #include "oesystem.h" #include "oechem.h" using namespace OESystem; using namespace OEChem; using namespace std; void PrintAtomicNumber(const OEAtomBase *atom) { cout << atom->GetAtomicNum() << endl; } void PrintAromatic(const OEAtomBase &atom) { if(atom.IsAromatic()) cout << "Is Aromatic" << endl; else cout << "Isn't Aromatic" << endl; } int main() { OEMol mol; OEParseSmiles(mol, "c1ccccc1"); OEIter atom; for(atom = mol.GetAtoms();atom;++atom) { PrintAtomicNumber(atom); PrintAromatic(atom); } return 0; }