private synchronized void chooseAlgorithm() { switch (algorithmType) { case CDKMCS: cdkMCSAlgorithm(); break; case DEFAULT: defaultMCSAlgorithm(); break; case MCSPlus: mcsPlusAlgorithm(); break; case VFLibMCS: vfLibMCSAlgorithm(); break; } }
private synchronized void chooseAlgorithm() { switch (algorithmType) { case CDKMCS: cdkMCSAlgorithm(); break; case DEFAULT: defaultMCSAlgorithm(); break; case MCSPlus: mcsPlusAlgorithm(); break; case VFLibMCS: vfLibMCSAlgorithm(); break; } }
System.out.println("Calling CDKMCS "); cdkMCSAlgorithm(); if (DEBUG) { System.out.println("Calling DONE CDKMCS ");
private synchronized void defaultMCSAlgorithm() { try { boolean substructureAlgorithm = substructureAlgorithm(); if (!substructureAlgorithm) { boolean timeoutMCS1 = cdkMCSAlgorithm(); if ((getMappingCount() == 0 && timeoutMCS1) || (timeoutMCS1 && getMappingCount() > 0 && (getFirstAtomMapping().getCount() != getQuery().getAtomCount() || getFirstAtomMapping().getCount() != getTarget().getAtomCount()))) { vfLibMCSAlgorithm(); } } } catch (CDKException e) { logger.error(Level.SEVERE, null, e); } }
private synchronized void defaultMCSAlgorithm() { try { boolean substructureAlgorithm = substructureAlgorithm(); if (!substructureAlgorithm) { boolean timeoutMCS1 = cdkMCSAlgorithm(); if ((getMappingCount() == 0 && timeoutMCS1) || (timeoutMCS1 && getMappingCount() > 0 && (getFirstAtomMapping().getCount() != getQuery().getAtomCount() || getFirstAtomMapping().getCount() != getTarget().getAtomCount()))) { vfLibMCSAlgorithm(); } } } catch (CDKException e) { logger.error(Level.SEVERE, null, e); } }
System.out.println("defaultMCSAlgorithm - Calling CDKMCS "); cdkMCSAlgorithm(); if (DEBUG) { System.out.println("getFirstAtomMapping().getCount() " + getFirstAtomMapping().getCount());