org.openscience.cdk.Bond.setStereo()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.setStereo()方法的一些代码示例,展示了Bond.setStereo()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.setStereo()方法的具体详情如下:
包路径:org.openscience.cdk.Bond
类名称:Bond
方法名:setStereo

Bond.setStereo介绍

[英]Sets the stereo descriptor for this bond.
[中]设置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 void setStereo(IBond.Stereo stereo) {
  logger.debug("Setting stereo: ", stereo);
  super.setStereo(stereo);
}

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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