public void AddReaction(NamedReaction reaction)
 {
     this[reaction.FunctionalGroup].AddNamedReaction(reaction);
     m_NamedReactions.Add(reaction);
 }
Ejemplo n.º 2
0
        //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);
 }