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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;

public class InchiInputFromInchiOutput {
  
  private final InchiInput inchiInput;
  private final String message;
  private final String log;
  private final InchiStatus status;
  private final long[][] warningFlags;
  
  InchiInputFromInchiOutput(InchiInput inchiInput, String message, String log, InchiStatus status, long[][] warningFlags) {
    this.inchiInput = inchiInput;
    this.message = message;
    this.log = log;
    this.status = status;
    this.warningFlags = warningFlags;
  }

  public InchiInput getInchiInput() {
    return inchiInput;
  }

  public String getMessage() {
    return message;
  }

  public String getLog() {
    return log;
  }

  public InchiStatus getStatus() {
    return status;
  }
  
  /**
   * see INCHIDIFF in inchicmp.h.
   *
   * [x][y]:
   * x=0 => Reconnected if present in InChI otherwise Disconnected/Normal
   * x=1 => Disconnected layer if Reconnected layer is present
   * y=1 => Main layer or Mobile-H
   * y=0 => Fixed-H layer
   * @return
   */
  public long[][] getWarningFlags() {
    return warningFlags;
  }

}