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
[英]Sets the stereo descriptor for this bond.
[中]设置此键的立体声描述符。
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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