public void TestGetRelevantReaction_IReactionSet_IAtom()
{
foreach (var container in ReactionSetManipulator.GetAllAtomContainers(set))
{
IAtom anAtom = container.Atoms[0];
Assert.AreEqual(set[0], ReactionSetManipulator.GetRelevantReaction(set, anAtom));
}
}
public void TestGetRelevantAtomContainer_IReactionSet_IBond()
{
foreach (var container in ReactionSetManipulator.GetAllAtomContainers(set))
{
IBond aBond = container.Bonds[0];
Assert.AreEqual(container, ReactionSetManipulator.GetRelevantAtomContainer(set, aBond));
}
}
public void TestSetAtomProperties_IReactionSet_Object_Object()
{
ReactionSetManipulator.SetAtomProperties(set, "test", "ok");
foreach (var container in ReactionSetManipulator.GetAllAtomContainers(set))
{
foreach (var atom in container.Atoms)
{
Assert.IsNotNull(atom.GetProperty <string>("test"));
Assert.AreEqual("ok", atom.GetProperty <string>("test"));
}
}
// reset things
SetUp();
}
public void TestGetAllAtomContainers_IReactionSet()
{
Assert.AreEqual(3, ReactionSetManipulator.GetAllAtomContainers(set).Count());
}
