package MCview;

import static org.testng.AssertJUnit.assertEquals;

import org.testng.Assert;
import org.testng.annotations.Test;

public class AtomTest
{

  /**
   * Test the constructor that parses a PDB file format ATOM line. Fields are in
   * fixed column positions
   */
  @Test(groups ={ "Functional" })
  public void testStringConstructor()
  {
    Atom a = new Atom(
            "ATOM    349  NE2 GLN A  48      22.290   8.595  17.680  1.00 14.30           N");
    assertEquals(349, a.atomIndex);
    assertEquals("NE", a.name);
    assertEquals("GLN", a.resName);
    assertEquals("A", a.chain);
    assertEquals(48, a.resNumber);
    assertEquals("48", a.resNumIns);
    assertEquals(' ', a.insCode);
    assertEquals(22.290, a.x, 0.00001);
    assertEquals(8.595, a.y, 0.00001);
    assertEquals(17.680, a.z, 0.00001);
    assertEquals(1f, a.occupancy, 0.00001);
    assertEquals(14.3, a.tfactor, 0.00001);
  }

  /**
   * Test the case where occupancy and temp factor are blank - should default to
   * 1
   */
  @Test(groups ={ "Functional" })
  public void testStringConstructor_blankOccupancyTempFactor()
  {
    Atom a = new Atom(
            "ATOM    349  NE2 GLN A  48      22.290   8.595  17.680                       N");
    assertEquals(1f, a.occupancy, 0.00001);
    assertEquals(1f, a.tfactor, 0.00001);
  }

  /**
   * Parsing non-numeric data as Atom throws an exception
   */
  @Test(groups ={ "Functional" })
  public void testStringConstructor_malformed()
  {
    try
    {
      new Atom(
              "ATOM    34N  NE2 GLN A  48      22.290   8.595  17.680  1.00 14.30           N");
      Assert.fail("Expected exception");
    } catch (NumberFormatException e)
    {
      // expected
    }
  }
}