public static void SetAtomProperties <T>(IChemObjectSet <T> set, string propKey, object propVal) where T : IAtomContainer
{
if (set != null)
{
for (int i = 0; i < set.Count; i++)
{
AtomContainerManipulator.SetAtomProperties(set[i], propKey, propVal);
}
}
}
/// <summary>
/// Sets the AtomProperties of all Atoms inside an IChemModel.
/// </summary>
/// <param name="chemModel">The IChemModel object.</param>
/// <param name="propKey">The key of the property.</param>
/// <param name="propVal">The value of the property.</param>
public static void SetAtomProperties(IChemModel chemModel, string propKey, object propVal)
{
if (chemModel.MoleculeSet != null)
{
MoleculeSetManipulator.SetAtomProperties(chemModel.MoleculeSet, propKey, propVal);
}
if (chemModel.ReactionSet != null)
{
ReactionSetManipulator.SetAtomProperties(chemModel.ReactionSet, propKey, propVal);
}
if (chemModel.Crystal != null)
{
AtomContainerManipulator.SetAtomProperties(chemModel.Crystal, propKey, propVal);
}
}
public static void SetAtomProperties(IReaction reaction, string propKey, object propVal)
{
var reactants = reaction.Reactants;
for (int j = 0; j < reactants.Count; j++)
{
AtomContainerManipulator.SetAtomProperties(reactants[j], propKey, propVal);
}
var products = reaction.Products;
for (int j = 0; j < products.Count; j++)
{
AtomContainerManipulator.SetAtomProperties(products[j], propKey, propVal);
}
}
