本文整理了Java中org.openscience.cdk.Bond.setFlag()
方法的一些代码示例,展示了Bond.setFlag()
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.setFlag()
方法的具体详情如下:
包路径:org.openscience.cdk.Bond
类名称:Bond
方法名:setFlag
暂无
代码示例来源:origin: cdk/cdk
/** {@inheritDoc} */
@Override
public void setIsInRing(boolean ring) {
setFlag(CDKConstants.ISINRING, ring);
}
代码示例来源:origin: org.openscience.cdk/cdk-data
/** {@inheritDoc} */
@Override
public void setIsAromatic(boolean arom) {
setFlag(CDKConstants.ISAROMATIC, arom);
}
代码示例来源:origin: org.openscience.cdk/cdk-data
/** {@inheritDoc} */
@Override
public void setIsInRing(boolean ring) {
setFlag(CDKConstants.ISINRING, ring);
}
代码示例来源:origin: cdk/cdk
/** {@inheritDoc} */
@Override
public void setIsAromatic(boolean arom) {
setFlag(CDKConstants.ISAROMATIC, arom);
}
代码示例来源:origin: cdk/cdk
/** {@inheritDoc} */
@Override
public void setFlag(int flagType, boolean flagValue) {
logger.debug("Setting flag: ", flagType + "=" + flagValue);
super.setFlag(flagType, flagValue);
}
代码示例来源:origin: cdk/cdk
@Test
public void testBondAromatic() throws Exception {
IAtomContainer mol = new AtomContainer();
// surely, this bond is not aromatic... but fortunately, file formats do not care about chemistry
Atom atom = new Atom("C");
Atom atom2 = new Atom("C");
mol.addAtom(atom);
mol.addAtom(atom2);
Bond bond = new Bond(atom, atom2, IBond.Order.SINGLE);
bond.setFlag(CDKConstants.ISAROMATIC, true);
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.getFlag(CDKConstants.ISAROMATIC), roundTrippedBond.getFlag(CDKConstants.ISAROMATIC));
Assert.assertEquals(bond.getOrder(), roundTrippedBond.getOrder());
}
代码示例来源:origin: cdk/cdk
/**
* @cdk.bug 1713398
*/
@Test
public void testBondAromatic_Double() throws Exception {
IAtomContainer mol = new AtomContainer();
// surely, this bond is not aromatic... but fortunately, file formats do not care about chemistry
Atom atom = new Atom("C");
Atom atom2 = new Atom("C");
mol.addAtom(atom);
mol.addAtom(atom2);
Bond bond = new Bond(atom, atom2, IBond.Order.DOUBLE);
bond.setFlag(CDKConstants.ISAROMATIC, true);
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.getFlag(CDKConstants.ISAROMATIC), roundTrippedBond.getFlag(CDKConstants.ISAROMATIC));
Assert.assertEquals(bond.getOrder(), roundTrippedBond.getOrder());
}
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