1 // ******************************************************************************
2 //
3 // Title: Force Field X.
4 // Description: Force Field X - Software for Molecular Biophysics.
5 // Copyright: Copyright (c) Michael J. Schnieders 2001-2024.
6 //
7 // This file is part of Force Field X.
8 //
9 // Force Field X is free software; you can redistribute it and/or modify it
10 // under the terms of the GNU General Public License version 3 as published by
11 // the Free Software Foundation.
12 //
13 // Force Field X is distributed in the hope that it will be useful, but WITHOUT
14 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
15 // FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
16 // details.
17 //
18 // You should have received a copy of the GNU General Public License along with
19 // Force Field X; if not, write to the Free Software Foundation, Inc., 59 Temple
20 // Place, Suite 330, Boston, MA 02111-1307 USA
21 //
22 // Linking this library statically or dynamically with other modules is making a
23 // combined work based on this library. Thus, the terms and conditions of the
24 // GNU General Public License cover the whole combination.
25 //
26 // As a special exception, the copyright holders of this library give you
27 // permission to link this library with independent modules to produce an
28 // executable, regardless of the license terms of these independent modules, and
29 // to copy and distribute the resulting executable under terms of your choice,
30 // provided that you also meet, for each linked independent module, the terms
31 // and conditions of the license of that module. An independent module is a
32 // module which is not derived from or based on this library. If you modify this
33 // library, you may extend this exception to your version of the library, but
34 // you are not obligated to do so. If you do not wish to do so, delete this
35 // exception statement from your version.
36 //
37 // ******************************************************************************
38 package ffx.xray.cli;
39
40 import ffx.utilities.FFXProperty;
41 import ffx.xray.RefinementMinimize;
42 import picocli.CommandLine.Option;
43
44 import static ffx.utilities.PropertyGroup.StructuralRefinement;
45
46 /**
47 * Represents command line options for scripts that utilize some form of crystallographic data.
48 *
49 * @author Michael J. Schnieders
50 * @since 1.0
51 */
52 public abstract class DataRefinementOptions {
53
54 /**
55 * The refinement mode to use.
56 */
57 protected RefinementMinimize.RefinementMode refinementMode = RefinementMinimize.RefinementMode.COORDINATES;
58
59 /**
60 * --wA or --dataWeight The weight of the data (wA).
61 */
62 @Option(names = {"--wA", "--dataWeight"}, paramLabel = "1.0",
63 description = "The weight of the experimental data (wA).")
64 @FFXProperty(name = "data-weight", propertyGroup = StructuralRefinement, defaultValue = "1.0",
65 description = "The weight of the experimental data (wA).")
66 protected double wA = 1.0;
67
68 /**
69 * Getter for the field <code>wA</code>.
70 *
71 * @return a double.
72 */
73 public double getwA() {
74 return wA;
75 }
76 }