private synchronized void mcsBuilder(IAtomContainer mol1, IAtomContainer mol2) { int rBondCount = mol1.getBondCount(); int pBondCount = mol2.getBondCount(); int rAtomCount = mol1.getAtomCount(); int pAtomCount = mol2.getAtomCount(); if ((rBondCount == 0 && rAtomCount > 0) || (pBondCount == 0 && pAtomCount > 0)) { singleMapping(); } else { chooseAlgorithm(); } }
private synchronized void mcsBuilder(IQueryAtomContainer mol1, IAtomContainer mol2) { int rBondCount = mol1.getBondCount(); int pBondCount = mol2.getBondCount(); int rAtomCount = mol1.getAtomCount(); int pAtomCount = mol2.getAtomCount(); if ((rBondCount == 0 && rAtomCount > 0) || (pBondCount == 0 && pAtomCount > 0)) { singleMapping(); } else { chooseAlgorithm(); } }
private synchronized void mcsBuilder(IAtomContainer mol1, IAtomContainer mol2) { int rBondCount = mol1.getBondCount(); int pBondCount = mol2.getBondCount(); int rAtomCount = mol1.getAtomCount(); int pAtomCount = mol2.getAtomCount(); if ((rBondCount == 0 && rAtomCount > 0) || (pBondCount == 0 && pAtomCount > 0)) { singleMapping(); } else { chooseAlgorithm(); } }
private synchronized void mcsBuilder(IQueryAtomContainer mol1, IAtomContainer mol2) { int rBondCount = mol1.getBondCount(); int pBondCount = mol2.getBondCount(); int rAtomCount = mol1.getAtomCount(); int pAtomCount = mol2.getAtomCount(); if ((rBondCount == 0 && rAtomCount > 0) || (pBondCount == 0 && pAtomCount > 0)) { singleMapping(); } else { chooseAlgorithm(); } }
private synchronized void mcsBuilder(IAtomContainer mol1, IAtomContainer mol2) throws CDKException { int rBondCount = mol1.getBondCount(); int pBondCount = mol2.getBondCount(); int rAtomCount = mol1.getAtomCount(); int pAtomCount = mol2.getAtomCount(); int expectedMaxGraphmatch = expectedMaxGraphmatch(mol1, mol2); if (DEBUG) { System.out.println("Expected match: " + expectedMaxGraphmatch); System.out.println("rAtomCount " + rAtomCount + ", rBondCount " + rBondCount); System.out.println("pAtomCount " + pAtomCount + ", pBondCount " + pBondCount); } if (expectedMaxGraphmatch == 1 || rAtomCount == 1 || pAtomCount == 1) { singleMapping(); } else { chooseAlgorithm(); } }