1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
|
/* SchultzIndex.java
* =========================================================================
* This file is part of the GrInvIn project - http://www.grinvin.org
*
* Copyright (C) 2005-2008 Universiteit Gent
*
* This program is free software; you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation; either version 2 of the License, or (at
* your option) any later version.
*
* This program is distributed in the hope that it will be useful, but
* WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
* General Public License for more details.
*
* A copy of the GNU General Public License can be found in the file
* LICENSE.txt provided with the source distribution of this program (see
* the META-INF directory in the source jar). This license can also be
* found on the GNU website at http://www.gnu.org/licenses/gpl.html.
*
* If you did not receive a copy of the GNU General Public License along
* with this program, contact the lead developer, or write to the Free
* Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
* 02110-1301, USA.
*/
package org.grinvin.invariants.computers.chemical;
import org.grinvin.graphs.GraphBundleView;
import org.grinvin.invariants.computers.AbstractInvariantComputer;
import org.grinvin.invariants.values.IntegerValue;
/**
* computes the Schultz index of the graph.
*/
public class SchultzIndex extends AbstractInvariantComputer {
public IntegerValue compute(GraphBundleView bundle) {
int[][] distanceMatrix = bundle.distanceMatrix();
boolean[][] adjacencyMatrix = bundle.booleanAdjacencyMatrix();
int[][] adjlist = bundle.adjacencyList();
int n = adjlist.length;
if (n == 0)
return IntegerValue.undefinedValue(this);
int schultzIndex = 0;
boolean connected = true;
for(int i = 0; i < n; i++)
for(int j = 0; j < n; j++) {
schultzIndex += (distanceMatrix[i][j] + (adjacencyMatrix[i][j] ? 1 : 0))*adjlist[j].length;
connected = connected && !(distanceMatrix[i][j]==0 && j != i);
}
if(connected)
return new IntegerValue(schultzIndex, this);
else
return IntegerValue.undefinedValue(this);
}
public String getInvariantId() {
return "org.grinvin.invariants.SchultzIndex";
}
}
|
