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