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DENOPTIM
TinkerConstants.java
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1/*
2 * DENOPTIM
3 * Copyright (C) 2019 Vishwesh Venkatraman <vishwesh.venkatraman@ntnu.no> and
4 * Marco Foscato <marco.foscato@uib.no>
5 *
6 * This program is free software: you can redistribute it and/or modify
7 * it under the terms of the GNU Affero General Public License as published
8 * by the Free Software Foundation, either version 3 of the License, or
9 * (at your option) any later version.
10 *
11 * This program is distributed in the hope that it will be useful,
12 * but WITHOUT ANY WARRANTY; without even the implied warranty of
13 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14 * GNU Affero General Public License for more details.
15 *
16 * You should have received a copy of the GNU Affero General Public License
17 * along with this program. If not, see <http://www.gnu.org/licenses/>.
18 */
19
20package denoptim.integration.tinker;
21
22import java.util.HashMap;
23import java.util.Map;
24
25
26
31public final class TinkerConstants
32{
36 @SuppressWarnings("serial")
37 public static final Map<String,String> KNOWNERRORS =
38 new HashMap<String,String>()
39 {
40 {
41 put("READXYZ -- Check Connection of Atoms",
42 "Tinker reports inconsistent connectivity. Recompiling "
43 + "Tinker with a larger value for MAXVAL might solve the "
44 + "problem.");
45 put("TORSIONS -- Too many Torsional Angles; Increase MAXTORS",
46 "Recompiling Tinker with a larger value for MAXTORS might "
47 + "solve the problem.");
48 put("BITORS -- Too many Adjacent Torsions; Increase MAXBITOR",
49 "Recompiling Tinker with a larger value for MAXBITOR might "
50 + "solve the problem.");
51 }
52 };
53
54}
General set of constants used to deal with Tinker.
static final Map< String, String > KNOWNERRORS
Recognised error messages and proposed solutions.