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1   /*
2    * Copyright 2006-2010 Sam Adams <sea36 at users.sourceforge.net>
3    *
4    * This file is part of JNI-InChI.
5    *
6    * JNI-InChI is free software: you can redistribute it and/or modify
7    * it under the terms of the GNU Lesser 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   * JNI-InChI 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 Lesser General Public License for more details.
15   *
16   * You should have received a copy of the GNU Lesser General Public License
17   * along with JNI-InChI.  If not, see <http://www.gnu.org/licenses/>.
18   */
19  package net.sf.jniinchi;
20  
21  import java.util.List;
22  
23  /**
24   * Encapsulates input for InChI to structure conversion.
25   * @author Sam Adams
26   */
27  public class JniInchiInputInchi {
28  
29      /**
30       * InChI ASCIIZ string to be converted to a strucure
31       */
32      protected String inchiString;
33  
34      /**
35       * InChI options: space-delimited
36       */
37      protected String options;
38  
39      /**
40       * Constructor.
41       * @param inchi InChI string
42       * @param opts  Options
43       */
44      public JniInchiInputInchi(final String inchi) {
45          this.inchiString = inchi;
46          this.options = "";
47      }
48  
49      /**
50       * Constructor.
51       * @param inchi    InChI string
52       * @param opts    Options
53       */
54      public JniInchiInputInchi(final String inchi, final String opts) throws JniInchiException {
55          this.inchiString = inchi;
56          this.options = JniInchiWrapper.checkOptions(opts);
57      }
58  
59      /**
60       * Constructor.
61       * @param inchi    InChI string
62       * @param opts    Options
63       */
64      public JniInchiInputInchi(final String inchi, List opts) throws JniInchiException {
65          this.inchiString = inchi;
66          this.options = JniInchiWrapper.checkOptions(opts);
67      }
68  
69      /**
70       * Returns options string.
71       * @return
72       */
73      public String getOptions() {
74          return options;
75      }
76  
77      /**
78       * Returns options string.
79       * @return
80       */
81      public String getInchi() {
82          return inchiString;
83      }
84  }