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Functionality for calling the InChI library from Java. Requires an appropriate InChI binary on the classpath to use

There is a newer version: 1.2.1

/**
 * JNA-InChI - Library for calling InChI from Java
 * Copyright © 2018 Daniel Lowe
 *
 * This library is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public
 * License as published by the Free Software Foundation; either
 * version 2.1 of the License, or (at your option) any later version.
 *
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 *
 * You should have received a copy of the GNU Lesser General Public License
 * along with this program.  If not, see .
 */
package io.github.dan2097.jnainchi.inchi;
import java.util.Arrays;
import java.util.List;

import com.sun.jna.Structure;
import com.sun.jna.Structure.ByReference;
import com.sun.jna.ptr.IntByReference;
/**
 * This file was autogenerated by JNAerator,

 * a tool written by Olivier Chafik that uses a few opensource projects..

 * For help, please visit NativeLibs4Java , Rococoa, or JNA.
 */
public class inchi_Input_PolymerUnit extends Structure implements ByReference {
  /** Unit id; it is what is called 'Sgroup number' */
  public int id;
  /** Unit type as per CTFile format (STY) */
  public int type;
  /** Unit subtype as per CTFile format (SST) */
  public int subtype;
  /** Unit connection scheme  as per CTFile format (SCN) */
  public int conn;
  /** One more unit id; what is called 'unique Sgroup */
  public int label;
  /** Number of atoms in the unit */
  public int na;
  /** Number of bonds in the unit */
  public int nb;
  /**
   * Bracket ends coordinates (SDI)

   * C type : double[4]
   */
  public double[] xbr1 = new double[4];
  /**
   * Bracket ends coordinates (SDI)

   * C type : double[4]
   */
  public double[] xbr2 = new double[4];
  /**
   * Sgroup Subscript (SMT) ('n' or so )

   * C type : char[80]
   */
  public byte[] smt = new byte[80];
  /**
   * List of atoms in the unit (SAL), atomic numbers

   * C type : int*
   */
  public IntByReference alist;
  /**
   * List of crossing bonds of unit:

   * C type : int*
   */
  public IntByReference blist;

  protected List getFieldOrder() {
    return Arrays.asList("id", "type", "subtype", "conn", "label", "na", "nb", "xbr1", "xbr2", "smt", "alist", "blist");
  }

}