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DENOPTIM
LWBond.java
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1/*
2 * DENOPTIM
3 * Copyright (C) 2022 Marco Foscato <marco.foscato@uib.no>
4 *
5 * This program is free software: you can redistribute it and/or modify
6 * it under the terms of the GNU Affero General Public License as published
7 * by the Free Software Foundation, either version 3 of the License, or
8 * (at your option) any later version.
9 *
10 * This program is distributed in the hope that it will be useful,
11 * but WITHOUT ANY WARRANTY; without even the implied warranty of
12 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13 * GNU Affero General Public License for more details.
14 *
15 * You should have received a copy of the GNU Affero General Public License
16 * along with this program. If not, see <http://www.gnu.org/licenses/>.
17 */
18
19package denoptim.json;
20
21import org.openscience.cdk.interfaces.IBond;
22
30public class LWBond
31{
36 protected int[] atomIds = new int[2];
37
41 protected IBond.Order bo;
42
43//------------------------------------------------------------------------------
44
45
46 public LWBond(int atmIdA, int atmIdB, IBond.Order bo)
47 {
48 this.atomIds[0] = atmIdA;
49 this.atomIds[1] = atmIdB;
50 this.bo = bo;
51 }
52
53//------------------------------------------------------------------------------
54
55}
A light-weight bond representation to facilitate json serialization of IBond.
Definition: LWBond.java:31
int[] atomIds
0-based index of the centers, i.e., atoms or pseudo-atoms, connected by this bond.
Definition: LWBond.java:36
IBond.Order bo
Type of bond.
Definition: LWBond.java:41
LWBond(int atmIdA, int atmIdB, IBond.Order bo)
Definition: LWBond.java:46