public void AddReaction(NamedReaction reaction) { this[reaction.FunctionalGroup].AddNamedReaction(reaction); m_NamedReactions.Add(reaction); }
//public FunctionalGroup(string func, string directory) //{ // Name = func; // m_refList = new List<Reference>(); // string[] imageFile = System.IO.Directory.GetFiles(directory, "*.jpg"); // if (imageFile.Length == 1) // m_FunctGroupImage = System.Drawing.Image.FromFile(imageFile[0]); // string[] references = System.IO.Directory.GetFiles(directory, "*.ris"); // foreach (string file in references) // m_refList.Add(new Reference(this.Name, "", System.IO.File.ReadAllText(file))); // m_Reactions = new NamedReactionCollection(); // m_AtomIndices = new List<int[]>(); //} public void AddNamedReaction(NamedReaction reaction) { m_Reactions.Add(reaction); }
public void AddReactionToFunctionalGroup(string groupName, NamedReaction reaction) { this[groupName].AddNamedReaction(reaction); m_NamedReactions.Add(reaction); }