// ******************************************************************************
   //
   // Title:       Force Field X.
   // Description: Force Field X - Software for Molecular Biophysics.
   // Copyright:   Copyright (c) Michael J. Schnieders 2001-2024.
   //
   // This file is part of Force Field X.
   //
   // Force Field X is free software; you can redistribute it and/or modify it
  // under the terms of the GNU General Public License version 3 as published by
  // the Free Software Foundation.
  //
  // Force Field X 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 General Public License for more
  // details.
  //
  // You should have received a copy of the GNU General Public License along with
  // Force Field X; if not, write to the Free Software Foundation, Inc., 59 Temple
  // Place, Suite 330, Boston, MA 02111-1307 USA
  //
  // Linking this library statically or dynamically with other modules is making a
  // combined work based on this library. Thus, the terms and conditions of the
  // GNU General Public License cover the whole combination.
  //
  // As a special exception, the copyright holders of this library give you
  // permission to link this library with independent modules to produce an
  // executable, regardless of the license terms of these independent modules, and
  // to copy and distribute the resulting executable under terms of your choice,
  // provided that you also meet, for each linked independent module, the terms
  // and conditions of the license of that module. An independent module is a
  // module which is not derived from or based on this library. If you modify this
  // library, you may extend this exception to your version of the library, but
  // you are not obligated to do so. If you do not wish to do so, delete this
  // exception statement from your version.
  //
  // ******************************************************************************
  package ffx.potential.groovy;
  
  import static org.junit.Assert.assertEquals;
  import static org.junit.Assert.assertNotNull;
  import static org.junit.Assert.assertTrue;
  
  import ffx.potential.parameters.BioType;
  import ffx.potential.utils.PotentialTest;
  import java.util.List;
  import org.junit.Test;
  
  /** Test the Biotype script. */
  public class BiotypeTest extends PotentialTest {
  
    @Test
    public void testBiotype() {
      // Set-up the input arguments for the Biotype script.
      String[] args = {getResourcePath("acetanilide.xyz")};
      binding.setVariable("args", args);
  
      // Create and evaluate the script.
      Biotype biotype = new Biotype(binding).run();
      potentialScript = biotype;
  
      // Check the Biotype results.
      List<BioType> bioTypes = biotype.getBioTypes();
      assertNotNull(bioTypes);
      assertEquals(19, bioTypes.size());
      BioType bioType = bioTypes.get(0);
      assertTrue(
          " Check the value of the first Biotype.",
          bioType.toString().trim().equalsIgnoreCase(
              "biotype      1  C     \"ace                    \"    405  C     C     N"));
  
      // Check that the bioTypes variable is available via the Binding.
      assertEquals(bioTypes, binding.getVariable("bioTypes"));
    }
  
    @Test
    public void testBiotypeHelp() {
      // Set-up the input arguments for the Biotype script.
      String[] args = {"-h"};
      binding.setVariable("args", args);
  
      // Create and evaluate the script.
      Biotype biotype = new Biotype(binding).run();
      potentialScript = biotype;
    }
  }