#include "oechem.h" #include #include using namespace OEChem; using namespace std; int main() { char buffer[1024]; while (cin.getline(buffer,1024)) { OEMol mol; if (OEParseSmiles(mol,buffer)) { string str; OEAssignAromaticFlags(mol); OECreateCanSmiString(str,mol); cout << str << endl; } else cerr << buffer << " is an invalid SMILES!" << endl; } return 0; }