本文整理了Java中org.openscience.cdk.Bond.getID()
方法的一些代码示例,展示了Bond.getID()
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.getID()
方法的具体详情如下:
包路径:org.openscience.cdk.Bond
类名称:Bond
方法名:getID
暂无
代码示例来源:origin: cdk/cdk
/** {@inheritDoc} */
@Override
public String getID() {
logger.debug("Getting ID: ", super.getID());
return super.getID();
}
代码示例来源:origin: cdk/cdk
@Test
public void testCreateIDs_IChemObject() {
IAtomContainer mol = new AtomContainer();
Atom atom1 = new Atom("C");
Atom atom2 = new Atom("C");
mol.addAtom(atom1);
mol.addAtom(atom2);
Bond bond = new Bond(atom1, atom2);
mol.addBond(bond);
IDCreator.createIDs(mol);
Assert.assertEquals("a1", atom1.getID());
Assert.assertEquals("b1", bond.getID());
List<String> ids = AtomContainerManipulator.getAllIDs(mol);
Assert.assertEquals(4, ids.size());
}
代码示例来源:origin: cdk/cdk
@Test
public void testBondID() 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);
bond.setID("b1");
mol.addBond(bond);
IAtomContainer roundTrippedMol = CMLRoundTripTool.roundTripMolecule(convertor, mol);
IBond roundTrippedBond = roundTrippedMol.getBond(0);
Assert.assertEquals(bond.getID(), roundTrippedBond.getID());
}
内容来源于网络,如有侵权,请联系作者删除!