1 /* $RCSfile$
2  * $Author: hansonr $
3  * $Date: 2016-02-04 21:46:46 -0600 (Thu, 04 Feb 2016) $
4  * $Revision: 20945 $
5  *
6  * Copyright (C) 2005  The Jmol Development Team
7  *
8  * Contact: jmol-developers@lists.sf.net
9  *
10  *  This library is free software; you can redistribute it and/or
11  *  modify it under the terms of the GNU Lesser General Public
12  *  License as published by the Free Software Foundation; either
13  *  version 2.1 of the License, or (at your option) any later version.
14  *
15  *  This library is distributed in the hope that it will be useful,
16  *  but WITHOUT ANY WARRANTY; without even the implied warranty of
17  *  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
18  *  Lesser General Public License for more details.
19  *
20  *  You should have received a copy of the GNU Lesser General Public
21  *  License along with this library; if not, write to the Free Software
22  *  Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
23  */
24 
25 package org.jmol.smiles;
26 
27 import java.util.Hashtable;
28 
29 import javajs.util.Lst;
30 
31 import javajs.util.BS;
32 import org.jmol.util.Edge;
33 
34 /**
35  * Ring of (tentatively) aromatic nodes and edges
36  */
37 
38 class SmilesRing extends BS {
39 
40   SmilesRingSet set;
41   Lst<Edge> edges;
42   BS bsEdgesToCheck;
43   boolean isOK;
44   int n;
45 
SmilesRing(int n, BS atoms, Lst<Edge> edges, boolean isOK)46   SmilesRing(int n, BS atoms, Lst<Edge> edges, boolean isOK) {
47     this.or(atoms);
48     this.edges = edges;
49     this.isOK = isOK;
50     this.n = n;
51   }
52 
addEdges(Hashtable<String, SmilesRingSet> htEdgeMap)53   void addEdges(Hashtable<String, SmilesRingSet> htEdgeMap) {
54     for (int i = edges.size(); --i >= 0;)
55       htEdgeMap.put(getKey(edges.get(i)), set);
56   }
57 
getSetByEdge(Edge edge, Hashtable<String, SmilesRingSet> htEdgeMap)58   static SmilesRingSet getSetByEdge(Edge edge,
59                                            Hashtable<String, SmilesRingSet> htEdgeMap) {
60     return htEdgeMap.get(getKey(edge));
61   }
62 
getKey(Edge e)63   private static String getKey(Edge e) {
64     int i = e.getAtomIndex1();
65     int j = e.getAtomIndex2();
66     return (i < j ? i + "_" + j : j + "_" + i);
67   }
68 
69 }
70