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

Bond.getFlag介绍

暂无

代码示例

代码示例来源:origin: cdk/cdk

/** {@inheritDoc} */
@Override
public boolean isAromatic() {
  return getFlag(CDKConstants.ISAROMATIC);
}

代码示例来源:origin: org.openscience.cdk/cdk-data

/** {@inheritDoc} */
@Override
public boolean isAromatic() {
  return getFlag(CDKConstants.ISAROMATIC);
}

代码示例来源:origin: org.openscience.cdk/cdk-data

/** {@inheritDoc} */
@Override
public boolean isInRing() {
  return getFlag(CDKConstants.ISINRING);
}

代码示例来源:origin: cdk/cdk

/** {@inheritDoc} */
@Override
public boolean isInRing() {
  return getFlag(CDKConstants.ISINRING);
}

代码示例来源:origin: cdk/cdk

/** {@inheritDoc} */
@Override
public boolean getFlag(int flagType) {
  logger.debug("Setting flag: ", flagType + "=" + super.getFlag(flagType));
  return super.getFlag(flagType);
}

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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