/** * Decrease the order of a bond. * * @param bond The bond in question * @see #decreaseBondOrder(org.openscience.cdk.interfaces.IBond.Order) * @see #increaseBondOrder(org.openscience.cdk.interfaces.IBond.Order) * @see #increaseBondOrder(org.openscience.cdk.interfaces.IBond.Order) */ public static void decreaseBondOrder(IBond bond) { bond.setOrder(decreaseBondOrder(bond.getOrder())); }
/** * Decrease the order of a bond. * * @param bond The bond in question * @see #decreaseBondOrder(org.openscience.cdk.interfaces.IBond.Order) * @see #increaseBondOrder(org.openscience.cdk.interfaces.IBond.Order) * @see #increaseBondOrder(org.openscience.cdk.interfaces.IBond.Order) */ public static void decreaseBondOrder(IBond bond) { bond.setOrder(decreaseBondOrder(bond.getOrder())); }
public boolean unsaturateByDecreasingBondOrder(IBond bond) { if (bond.getOrder() != IBond.Order.SINGLE) { bond.setOrder(BondManipulator.decreaseBondOrder(bond.getOrder())); return true; } else { return false; } }
public boolean unsaturateByDecreasingBondOrder(IBond bond) { if (bond.getOrder() != IBond.Order.SINGLE) { bond.setOrder(BondManipulator.decreaseBondOrder(bond.getOrder())); return true; } else { return false; } }
@Test public void testDecreaseBondOrder_IBond_Order() { Assert.assertEquals(IBond.Order.SINGLE, BondManipulator.decreaseBondOrder(IBond.Order.SINGLE)); Assert.assertEquals(IBond.Order.SINGLE, BondManipulator.decreaseBondOrder(IBond.Order.DOUBLE)); Assert.assertEquals(IBond.Order.DOUBLE, BondManipulator.decreaseBondOrder(IBond.Order.TRIPLE)); Assert.assertEquals(IBond.Order.TRIPLE, BondManipulator.decreaseBondOrder(IBond.Order.QUADRUPLE)); Assert.assertEquals(IBond.Order.QUADRUPLE, BondManipulator.decreaseBondOrder(IBond.Order.QUINTUPLE)); Assert.assertEquals(IBond.Order.QUINTUPLE, BondManipulator.decreaseBondOrder(IBond.Order.SEXTUPLE)); }
@Test public void testDecreaseBondOrder_IBond() { IBond bond = new Bond(); bond.setOrder(IBond.Order.SEXTUPLE); BondManipulator.decreaseBondOrder(bond); Assert.assertEquals(IBond.Order.QUINTUPLE, bond.getOrder()); BondManipulator.decreaseBondOrder(bond); Assert.assertEquals(IBond.Order.QUADRUPLE, bond.getOrder()); BondManipulator.decreaseBondOrder(bond); Assert.assertEquals(IBond.Order.TRIPLE, bond.getOrder()); BondManipulator.decreaseBondOrder(bond); Assert.assertEquals(IBond.Order.DOUBLE, bond.getOrder()); BondManipulator.decreaseBondOrder(bond); Assert.assertEquals(IBond.Order.SINGLE, bond.getOrder()); BondManipulator.decreaseBondOrder(bond); Assert.assertEquals(IBond.Order.SINGLE, bond.getOrder()); }
BondManipulator.increaseBondOrder(reactantCloned.getBond(bondiP)); else BondManipulator.decreaseBondOrder(reactantCloned.getBond(bondiP));
int posBond3 = molecule.indexOf(bond3); BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond1)); BondManipulator.increaseBondOrder(reactantCloned.getBond(posBond2)); reactantCloned.removeBond(reactantCloned.getBond(posBond3));
int posBond3 = molecule.indexOf(bond3); BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond1)); BondManipulator.increaseBondOrder(reactantCloned.getBond(posBond2)); reactantCloned.removeBond(reactantCloned.getBond(posBond3));
reactantCloned.removeBond(reactantCloned.getBond(posBond1)); else BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond1));
reactantCloned.removeBond(reactantCloned.getBond(posBond1)); else BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond1));
reactantCloned.removeBond(reactantCloned.getBond(posBond1)); else BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond1));
reactantCloned.removeBond(reactantCloned.getBond(posBond2)); else BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond2));
reactantCloned.removeBond(reactantCloned.getBond(posBond1)); else BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond1));
reactantCloned.removeBond(reactantCloned.getBond(posBond1)); else BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond1));
reactantCloned.removeBond(reactantCloned.getBond(posBond2)); else BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond2));
reactantCloned.removeBond(reactantCloned.getBond(posBond1)); else BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond1));
int posBond1 = atomContainerSet.getAtomContainer(0).indexOf(bond1); BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond1)); IBond newBond = molecule1.getBuilder().newInstance(IBond.class, atom2C, atom3C, IBond.Order.SINGLE); reactantCloned.addBond(newBond);
int posBond1 = atomContainerSet.getAtomContainer(0).indexOf(bond1); BondManipulator.decreaseBondOrder(reactantCloned.getBond(posBond1)); IBond newBond = molecule1.getBuilder().newInstance(IBond.class, atom2C, atom3C, IBond.Order.SINGLE); reactantCloned.addBond(newBond);
BondManipulator.increaseBondOrder(reactantCloned.getBond(bondiP)); else BondManipulator.decreaseBondOrder(reactantCloned.getBond(bondiP));