本文整理了Java中org.openscience.cdk.Bond.getOrder()方法的一些代码示例，展示了Bond.getOrder()的具体用法。这些代码示例主要来源于Github/Stackoverflow/Maven等平台，是从一些精选项目中提取出来的代码，具有较强的参考意义，能在一定程度帮忙到你。Bond.getOrder()方法的具体详情如下：
包路径：org.openscience.cdk.Bond
类名称：Bond
方法名：getOrder

Bond.getOrder介绍

[英]Returns the bond order of this bond.
[中]返回此债券的债券顺序。

代码示例

代码示例来源：origin: cdk/cdk

/** {@inheritDoc} */
@Override
public Order getOrder() {
  logger.debug("Getting order: ", super.getOrder());
  return super.getOrder();
}

代码示例来源：origin: cdk/cdk

/**
 * Returns a one line string representation of this Container. This method is
 * conform RFC #9.
 *
 * @return The string representation of this Container
 */
@Override
public String toString() {
  StringBuffer resultString = new StringBuffer(32);
  resultString.append("Bond(").append(this.hashCode());
  if (getOrder() != null) {
    resultString.append(", #O:").append(getOrder());
  }
  resultString.append(", #S:").append(getStereo());
  if (getAtomCount() > 0) {
    resultString.append(", #A:").append(getAtomCount());
    for (int i = 0; i < atomCount; i++) {
      resultString.append(", ").append(atoms[i] == null ? "null" : atoms[i].toString());
    }
  }
  resultString.append(", ").append(super.toString());
  resultString.append(')');
  return resultString.toString();
}

代码示例来源：origin: org.openscience.cdk/cdk-data

/**
 * Returns a one line string representation of this Container. This method is
 * conform RFC #9.
 *
 * @return The string representation of this Container
 */
@Override
public String toString() {
  StringBuffer resultString = new StringBuffer(32);
  resultString.append("Bond(").append(this.hashCode());
  if (getOrder() != null) {
    resultString.append(", #O:").append(getOrder());
  }
  resultString.append(", #S:").append(getStereo());
  if (getAtomCount() > 0) {
    resultString.append(", #A:").append(getAtomCount());
    for (int i = 0; i < atomCount; i++) {
      resultString.append(", ").append(atoms[i] == null ? "null" : atoms[i].toString());
    }
  }
  resultString.append(", ").append(super.toString());
  resultString.append(')');
  return resultString.toString();
}

代码示例来源：origin: cdk/cdk

m.addBond(b3);
satcheck.saturate(m);
Assert.assertEquals(IBond.Order.DOUBLE, b1.getOrder());
Assert.assertEquals(IBond.Order.SINGLE, b2.getOrder());
Assert.assertEquals(IBond.Order.DOUBLE, b3.getOrder());

代码示例来源：origin: cdk/cdk

mol.addBond(b12);
satcheck.saturate(mol);
Assert.assertEquals(IBond.Order.DOUBLE, b1.getOrder());
Assert.assertEquals(IBond.Order.SINGLE, b2.getOrder());
Assert.assertEquals(IBond.Order.SINGLE, b3.getOrder());
Assert.assertEquals(IBond.Order.DOUBLE, b5.getOrder());
Assert.assertEquals(IBond.Order.DOUBLE, b7.getOrder());
Assert.assertEquals(IBond.Order.SINGLE, b9.getOrder());
Assert.assertEquals(IBond.Order.SINGLE, b10.getOrder());
Assert.assertEquals(IBond.Order.DOUBLE, b12.getOrder());

代码示例来源：origin: cdk/cdk

/**
 *  A unit test for JUnit
 */
@Test
public void testSaturate() throws Exception {
  // test ethene
  Atom c1 = new Atom("C");
  c1.setImplicitHydrogenCount(2);
  Atom c2 = new Atom("C");
  c2.setImplicitHydrogenCount(2);
  Bond b = new Bond(c1, c2, IBond.Order.SINGLE);
  // force single bond, saturate() must fix that
  IAtomContainer m = new AtomContainer();
  m.addAtom(c1);
  m.addAtom(c2);
  m.addBond(b);
  satcheck.saturate(m);
  Assert.assertEquals(IBond.Order.DOUBLE, b.getOrder());
}

代码示例来源：origin: cdk/cdk

mol.addBond(b9);
satcheck.saturate(mol);
Assert.assertEquals(IBond.Order.SINGLE, b1.getOrder());
Assert.assertEquals(IBond.Order.DOUBLE, b2.getOrder());
Assert.assertEquals(IBond.Order.SINGLE, b6.getOrder());
Assert.assertEquals(IBond.Order.SINGLE, b8.getOrder());
Assert.assertEquals(IBond.Order.DOUBLE, b4.getOrder());

代码示例来源：origin: cdk/cdk

@Test
public void testBondAromatic() throws Exception {
  IAtomContainer mol = new AtomContainer();
  // surely, this bond is not aromatic... but fortunately, file formats do not care about chemistry
  Atom atom = new Atom("C");
  Atom atom2 = new Atom("C");
  mol.addAtom(atom);
  mol.addAtom(atom2);
  Bond bond = new Bond(atom, atom2, IBond.Order.SINGLE);
  bond.setFlag(CDKConstants.ISAROMATIC, true);
  mol.addBond(bond);
  IAtomContainer roundTrippedMol = CMLRoundTripTool.roundTripMolecule(convertor, mol);
  Assert.assertEquals(2, roundTrippedMol.getAtomCount());
  Assert.assertEquals(1, roundTrippedMol.getBondCount());
  IBond roundTrippedBond = roundTrippedMol.getBond(0);
  Assert.assertEquals(bond.getFlag(CDKConstants.ISAROMATIC), roundTrippedBond.getFlag(CDKConstants.ISAROMATIC));
  Assert.assertEquals(bond.getOrder(), roundTrippedBond.getOrder());
}

代码示例来源：origin: cdk/cdk

/**
 * @cdk.bug 1713398
 */
@Test
public void testBondAromatic_Double() throws Exception {
  IAtomContainer mol = new AtomContainer();
  // surely, this bond is not aromatic... but fortunately, file formats do not care about chemistry
  Atom atom = new Atom("C");
  Atom atom2 = new Atom("C");
  mol.addAtom(atom);
  mol.addAtom(atom2);
  Bond bond = new Bond(atom, atom2, IBond.Order.DOUBLE);
  bond.setFlag(CDKConstants.ISAROMATIC, true);
  mol.addBond(bond);
  IAtomContainer roundTrippedMol = CMLRoundTripTool.roundTripMolecule(convertor, mol);
  Assert.assertEquals(2, roundTrippedMol.getAtomCount());
  Assert.assertEquals(1, roundTrippedMol.getBondCount());
  IBond roundTrippedBond = roundTrippedMol.getBond(0);
  Assert.assertEquals(bond.getFlag(CDKConstants.ISAROMATIC), roundTrippedBond.getFlag(CDKConstants.ISAROMATIC));
  Assert.assertEquals(bond.getOrder(), roundTrippedBond.getOrder());
}

代码示例来源：origin: cdk/cdk

@Test
public void testBond() throws Exception {
  IAtomContainer mol = new AtomContainer();
  Atom atom = new Atom("C");
  Atom atom2 = new Atom("O");
  mol.addAtom(atom);
  mol.addAtom(atom2);
  Bond bond = new Bond(atom, atom2, IBond.Order.SINGLE);
  mol.addBond(bond);
  IAtomContainer roundTrippedMol = CMLRoundTripTool.roundTripMolecule(convertor, mol);
  Assert.assertEquals(2, roundTrippedMol.getAtomCount());
  Assert.assertEquals(1, roundTrippedMol.getBondCount());
  IBond roundTrippedBond = roundTrippedMol.getBond(0);
  Assert.assertEquals(2, roundTrippedBond.getAtomCount());
  Assert.assertEquals("C", roundTrippedBond.getBegin().getSymbol()); // preserved direction?
  Assert.assertEquals("O", roundTrippedBond.getEnd().getSymbol());
  Assert.assertEquals(bond.getOrder(), roundTrippedBond.getOrder());
}

代码示例来源：origin: cdk/cdk

mol.addBond(b16);
satcheck.saturate(mol);
Assert.assertEquals(IBond.Order.DOUBLE, b1.getOrder());
Assert.assertEquals(IBond.Order.DOUBLE, b2.getOrder());

代码示例来源：origin: cdk/cdk

mol.addBond(b24);
satcheck.saturate(mol);
Assert.assertEquals(IBond.Order.DOUBLE, b6.getOrder());
Assert.assertEquals(IBond.Order.DOUBLE, b7.getOrder());