#include "oechem.h"
#include <iostream>

using namespace OEChem;
using namespace OESystem;
using namespace std;

int main()
{
  OEMol mol;
  OEParseSmiles(mol, "c1ccccc1");
  mol.SetTitle("benzene");
  
  // set some sd data
  OESetSDData(mol, "color", "brown");
  OESetSDData(mol, OESDDataPair("size", "small"));
  
  // loop over data
  OEIter<OESDDataPair> dp;
  for (dp=OEGetSDDataPairs(mol);dp;++dp)
  {
    cout << dp->GetTag() << " : " << dp->GetValue() << endl;
  }
  
  if (OEHasSDData(mol, "color"))
    OEDeleteSDData(mol, "color");
    
  for (dp=OEGetSDDataPairs(mol);dp;++dp)
  {
    cout << dp->GetTag() << " : " << dp->GetValue() << endl;
  }  

  return 0;
}