Java IAtomType.getMaxBondOrderの例

コード例 #1

ファイル: AtomTypeFactoryTest.java プロジェクト: jonalv/cdk

 @Test
 public void testGetAtomType_String() throws Exception {
   IAtomType atomType = atf.getAtomType("C4");
   Assert.assertNotNull(atomType);
   Assert.assertEquals("C", atomType.getSymbol());
   Assert.assertEquals("C4", atomType.getAtomTypeName());
   Assert.assertEquals(4.0, atomType.getBondOrderSum(), 0.001);
   Assert.assertEquals(IBond.Order.TRIPLE, atomType.getMaxBondOrder());
 }