$darkmode
DENOPTIM
RingClosingConformations.java
Go to the documentation of this file.
1/*
2 * DENOPTIM
3 * Copyright (C) 2019 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.graph.rings;
20
21import java.io.Serializable;
22import java.util.ArrayList;
23
41public class RingClosingConformations implements Serializable
42{
46 private static final long serialVersionUID = 1L;
47
51 private String chainID;
52
56 private ArrayList<ArrayList<Double>> lstConfs;
57
58//-----------------------------------------------------------------------------
59
65 {
66 this.chainID = "";
67 this.lstConfs = new ArrayList<ArrayList<Double>>();
68 }
69
70//-----------------------------------------------------------------------------
71
79 ArrayList<ArrayList<Double>> lstConfs)
80 {
81 this.chainID = chainID;
82 this.lstConfs = lstConfs;
83 }
84
85//-----------------------------------------------------------------------------
86
87 public String getChainID()
88 {
89 return chainID;
90 }
91
92//-----------------------------------------------------------------------------
93
95 {
96 return lstConfs.size();
97 }
98
99//-----------------------------------------------------------------------------
100
101 public ArrayList<ArrayList<Double>> getListOfConformations()
102 {
103 return lstConfs;
104 }
105
106//-----------------------------------------------------------------------------
107
108 @Override
109 public String toString()
110 {
111 return "RingClosingConformations [chainID=" + chainID
112 + ", lstConfs=" + lstConfs
113 + "]";
114 }
115
116//-----------------------------------------------------------------------------
117}
Serializable object to store/get a list of conformations that allow to close a ring from an open chai...
RingClosingConformations()
Constructs an empty RingClosure.
ArrayList< ArrayList< Double > > getListOfConformations()
ArrayList< ArrayList< Double > > lstConfs
List of conformations (each as list of dihedrals)
RingClosingConformations(String chainID, ArrayList< ArrayList< Double > > lstConfs)
Constructs a RingClosure from data.