org.openscience.cdk.Bond.getStereo()方法的使用及代码示例

x33g5p2x  于2022-01-16 转载在 其他  
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本文整理了Java中org.openscience.cdk.Bond.getStereo()方法的一些代码示例,展示了Bond.getStereo()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.getStereo()方法的具体详情如下:
包路径:org.openscience.cdk.Bond
类名称:Bond
方法名:getStereo

Bond.getStereo介绍

[英]Returns the stereo descriptor for this bond.
[中]返回此键的立体声描述符。

代码示例

代码示例来源:origin: cdk/cdk

/** {@inheritDoc} */
@Override
public IBond.Stereo getStereo() {
  logger.debug("Getting stereo: ", super.getStereo());
  return super.getStereo();
}

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

@Test
public void testBondStereo() 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);
  IBond.Stereo stereo = IBond.Stereo.DOWN;
  bond.setStereo(stereo);
  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.getStereo(), roundTrippedBond.getStereo());
}

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