public void TestGetRelevantAtomContainer_IReaction_IAtom()
{
foreach (var container in ReactionManipulator.GetAllAtomContainers(reaction))
{
IAtom anAtom = container.Atoms[0];
Assert.AreEqual(container, ReactionManipulator.GetRelevantAtomContainer(reaction, anAtom));
}
}
public static IAtomContainer GetRelevantAtomContainer(IReactionSet set, IBond bond)
{
foreach (var reaction in set)
{
var container = ReactionManipulator.GetRelevantAtomContainer(reaction, bond);
if (container != null)
{ // a match!
return(container);
}
}
return(null);
}
public static IReaction GetRelevantReaction(IReactionSet set, IAtom atom)
{
foreach (var reaction in set)
{
var container = ReactionManipulator.GetRelevantAtomContainer(reaction, atom);
if (container != null)
{ // a match!
return(reaction);
}
}
return(null);
}
