C++ (Cpp) OBAtom::IsClockwise Exemples

Exemple #1

Fichier : report.cpp Projet : daju1/winlibghemical

  void WriteChiral(ostream &ofs,OBMol &mol)
  {
    OBAtom *atom;
    vector<OBNodeBase*>::iterator i;
    char buffer[BUFF_SIZE];

    for (atom = mol.BeginAtom(i);atom;atom = mol.NextAtom(i))
      {
	if (atom->IsChiral())
	  {
	    sprintf(buffer,"%4s %5d is chiral: %s",
		    etab.GetSymbol(atom->GetAtomicNum()),
		    atom->GetIdx(),
		    (atom->IsClockwise() ? "clockwise" : "counterclockwise"));
	
	    ofs << buffer << endl;
	  }
      }
  }