public static void setAtomProperties(ISetOfAtomContainers set_Renamed, System.Object propKey, System.Object propVal)
 {
     if (set_Renamed != null)
     {
         for (int i = 0; i < set_Renamed.AtomContainerCount; i++)
         {
             AtomContainerManipulator.setAtomProperties(set_Renamed.getAtomContainer(i), propKey, propVal);
         }
     }
 }
        /// <returns> The summed implicit hydrogens of all atoms in this set.
        /// </returns>
        public static int getTotalHydrogenCount(ISetOfAtomContainers set_Renamed)
        {
            int hCount = 0;

            for (int i = 0; i < set_Renamed.AtomContainerCount; i++)
            {
                hCount += AtomContainerManipulator.getTotalHydrogenCount(set_Renamed.getAtomContainer(i));
            }
            return(hCount);
        }
        /// <returns> The summed formal charges of all atoms in this set.
        /// </returns>
        public static double getTotalFormalCharge(ISetOfAtomContainers set_Renamed)
        {
            int charge = 0;

            for (int i = 0; i < set_Renamed.AtomContainerCount; i++)
            {
                int    thisCharge = AtomContainerManipulator.getTotalFormalCharge(set_Renamed.getAtomContainer(i));
                double stoich     = set_Renamed.getMultiplier(i);
                charge = (int)(charge + stoich * thisCharge);
            }
            return(charge);
        }
 public static System.Collections.ArrayList getAllIDs(ISetOfAtomContainers set_Renamed)
 {
     System.Collections.ArrayList idList = System.Collections.ArrayList.Synchronized(new System.Collections.ArrayList(10));
     if (set_Renamed != null)
     {
         if (set_Renamed.ID != null)
         {
             idList.Add(set_Renamed.ID);
         }
         for (int i = 0; i < set_Renamed.AtomContainerCount; i++)
         {
             idList.Add(AtomContainerManipulator.getAllIDs(set_Renamed.getAtomContainer(i)));
         }
     }
     return(idList);
 }
 public static void setAtomProperties(ISetOfAtomContainers set_Renamed, System.Object propKey, System.Object propVal)
 {
     if (set_Renamed != null)
     {
         for (int i = 0; i < set_Renamed.AtomContainerCount; i++)
         {
             AtomContainerManipulator.setAtomProperties(set_Renamed.getAtomContainer(i), propKey, propVal);
         }
     }
 }
 public static System.Collections.ArrayList getAllIDs(ISetOfAtomContainers set_Renamed)
 {
     System.Collections.ArrayList idList = System.Collections.ArrayList.Synchronized(new System.Collections.ArrayList(10));
     if (set_Renamed != null)
     {
         if (set_Renamed.ID != null)
             idList.Add(set_Renamed.ID);
         for (int i = 0; i < set_Renamed.AtomContainerCount; i++)
         {
             idList.Add(AtomContainerManipulator.getAllIDs(set_Renamed.getAtomContainer(i)));
         }
     }
     return idList;
 }
 /// <returns> The summed implicit hydrogens of all atoms in this set.
 /// </returns>
 public static int getTotalHydrogenCount(ISetOfAtomContainers set_Renamed)
 {
     int hCount = 0;
     for (int i = 0; i < set_Renamed.AtomContainerCount; i++)
     {
         hCount += AtomContainerManipulator.getTotalHydrogenCount(set_Renamed.getAtomContainer(i));
     }
     return hCount;
 }
 /// <returns> The summed formal charges of all atoms in this set.
 /// </returns>
 public static double getTotalFormalCharge(ISetOfAtomContainers set_Renamed)
 {
     int charge = 0;
     for (int i = 0; i < set_Renamed.AtomContainerCount; i++)
     {
         int thisCharge = AtomContainerManipulator.getTotalFormalCharge(set_Renamed.getAtomContainer(i));
         double stoich = set_Renamed.getMultiplier(i);
         charge = (int)(charge + stoich * thisCharge);
     }
     return charge;
 }