Beispiel #1
0
        public static GAtomicElement _getGAtomicElementFromString(String s)
        {
            GAtomicElement atomic_elements = GAtomicElement.NEUTRAL;

            if (s == "HYD")
            {
                atomic_elements = GAtomicElement.HYDROGEN;
            }
            else if (s == "OXY")
            {
                atomic_elements = GAtomicElement.OXYGEN;
            }
            else if (s == "NIT")
            {
                atomic_elements = GAtomicElement.NITROGEN;
            }
            else if (s == "SUL")
            {
                atomic_elements = GAtomicElement.SULFUR;
            }
            else if (s == "CAR")
            {
                atomic_elements = GAtomicElement.CARBON;
            }
            else if (s == "NEU")
            {
                atomic_elements = GAtomicElement.NEUTRAL;
            }
            else if (s == "PHS")
            {
                atomic_elements = GAtomicElement.PHOSPHORUS;
            }
            else if (s == "FLU")
            {
                atomic_elements = GAtomicElement.FLUORIDE;
            }
            else if (s == "BOR")
            {
                atomic_elements = GAtomicElement.BORANE;
            }
            else if (s == "VLK")
            {
                atomic_elements = GAtomicElement.VERTICAL_LINE_LINK;
            }
            else if (s == "HLK")
            {
                atomic_elements = GAtomicElement.HORIZONTAL_LINE_LINK;
            }
            else
            {
                atomic_elements = GAtomicElement.UKNOWN_ELEMENT;
            }

            return(atomic_elements);
        }
Beispiel #2
0
        public static String _getGAtomicElementsString(GAtomicElement element)
        {
            String s = "";

            if (element == GAtomicElement.HYDROGEN)
            {
                s = "HYD";
            }
            else if (element == GAtomicElement.OXYGEN)
            {
                s = "OXY";
            }
            else if (element == GAtomicElement.NITROGEN)
            {
                s = "NIT";
            }
            else if (element == GAtomicElement.SULFUR)
            {
                s = "SUL";
            }
            else if (element == GAtomicElement.CARBON)
            {
                s = "CAR";
            }
            else if (element == GAtomicElement.NEUTRAL)
            {
                s = "NEU";
            }
            else if (element == GAtomicElement.PHOSPHORUS)
            {
                s = "PHS";
            }
            else if (element == GAtomicElement.FLUORIDE)
            {
                s = "FLU";
            }
            else if (element == GAtomicElement.BORANE)
            {
                s = "BOR";
            }
            else if (element == GAtomicElement.VERTICAL_LINE_LINK)
            {
                s = "VLK";
            }
            else if (element == GAtomicElement.HORIZONTAL_LINE_LINK)
            {
                s = "HLK";
            }
            else
            {
                s = "UKN";
            }

            return(s);
        }
Beispiel #3
0
        ///
        /// element constructor without the dimensions and index (default values)
        ///
        public GAtomicElementObject(GAtomicElement elem, GAtomicConnectionElement[] conn_elems)
            : base(new Point(0, 0), 0, 0, 0)
        {
            element = elem;

            index_in_list = 0;

            if (conn_elems == null)
            {
                connection_elements = null;
            }
            else
            {
                connection_elements = new GAtomicConnectionElement[conn_elems.Length];
                int k = 0;
                for (; k < conn_elems.Length; k++)
                {
                    connection_elements[k] = conn_elems[k];
                }

                bool valid = true;
                for (k = 0; k < conn_elems.Length; k++)
                {
                    for (int y = 0; y < conn_elems.Length; y++)
                    {
                        if (y != k)
                        {
                            if (((GAtomicConnectionElement)connection_elements[y]).DirectionOfConnectingElement ==
                                ((GAtomicConnectionElement)connection_elements[k]).DirectionOfConnectingElement)
                            {
                                // same direction twice, conceptual error
                                valid = false;
                                break;
                            }
                        }
                    }
                }

                if (!valid)
                {
                    throw new GAtomicElementObjectInvalidException();
                }
            }
        }
Beispiel #4
0
        public static GAtomicElementObject _getAtomicElementFromString(String s, Point p, int row, int col, int object_size, int ind_list)
        {
            String         atomic_element_string = s.Substring(0, 3);
            GAtomicElement atomic_element        = GAtomicObject._getGAtomicElementFromString(atomic_element_string);

            int    number_of_connections = 0;
            String connections_string    = s.Substring(3);

            if (connections_string.Length != (int)GAtomicConnectionDirection.TRIPLE_LEFT + 1)
            {
                return(null);
            }

            int index = connections_string.IndexOf("1");

            while (index != -1)
            {
                number_of_connections++;
                index = connections_string.IndexOf("1", index + 1);
            }

            GAtomicConnectionElement[] connections = new GAtomicConnectionElement[number_of_connections];
            index = 0;
            int array_index = 0;

            while (index < connections_string.Length)
            {
                if (connections_string.Substring(index++, 1) == "1")
                {
                    connections[array_index++] = new GAtomicConnectionElement(null, (GAtomicConnectionDirection)(index - 1));
                }
            }


            GAtomicElementObject a = new GAtomicElementObject(p, row, col
                                                              , object_size
                                                              , atomic_element, connections, ind_list);

            return(a);
        }