private synchronized void singleMapping() { SingleMappingHandler mcs; mcs = new SingleMappingHandler(getQuery(), getTarget(), isMatchRings()); clearMaps(); getMCSList().addAll(mcs.getAllAtomMapping()); }
private synchronized void singleMapping() { SingleMappingHandler mcs; mcs = new SingleMappingHandler(getQuery(), getTarget(), isMatchRings()); clearMaps(); getMCSList().addAll(mcs.getAllAtomMapping()); }
private synchronized void vfLibMCSAlgorithm() { VF2MCS mcs; if (getQuery() instanceof IQueryAtomContainer) { mcs = new VF2MCS((IQueryAtomContainer) getQuery(), getTarget()); } else { mcs = new VF2MCS(getQuery(), getTarget(), isMatchBonds(), isMatchRings(), isMatchAtomType()); } clearMaps(); getMCSList().addAll(mcs.getAllAtomMapping()); }
private synchronized void vfLibMCSAlgorithm() { VF2MCS mcs; if (getQuery() instanceof IQueryAtomContainer) { mcs = new VF2MCS((IQueryAtomContainer) getQuery(), getTarget()); } else { mcs = new VF2MCS(getQuery(), getTarget(), isMatchBonds(), isMatchRings(), isMatchAtomType()); } clearMaps(); getMCSList().addAll(mcs.getAllAtomMapping()); }
private synchronized boolean cdkMCSAlgorithm() { CDKMCSHandler mcs; if (getQuery() instanceof IQueryAtomContainer) { mcs = new CDKMCSHandler(getQuery(), getTarget()); } else { mcs = new CDKMCSHandler(getQuery(), getTarget(), isMatchBonds(), isMatchRings(), isMatchAtomType()); } clearMaps(); getMCSList().addAll(mcs.getAllAtomMapping()); return mcs.isTimeout(); }
private synchronized boolean cdkMCSAlgorithm() { CDKMCSHandler mcs; if (getQuery() instanceof IQueryAtomContainer) { mcs = new CDKMCSHandler(getQuery(), getTarget()); } else { mcs = new CDKMCSHandler(getQuery(), getTarget(), isMatchBonds(), isMatchRings(), isMatchAtomType()); } clearMaps(); getMCSList().addAll(mcs.getAllAtomMapping()); return mcs.isTimeout(); }
private synchronized boolean mcsPlusAlgorithm() { MCSPlusHandler mcs; if (getQuery() instanceof IQueryAtomContainer) { mcs = new MCSPlusHandler((IQueryAtomContainer) getQuery(), getTarget()); } else { mcs = new MCSPlusHandler(getQuery(), getTarget(), isMatchBonds(), isMatchRings(), isMatchAtomType()); } clearMaps(); getMCSList().addAll(mcs.getAllAtomMapping()); return mcs.isTimeout(); }
private synchronized boolean mcsPlusAlgorithm() { MCSPlusHandler mcs; if (getQuery() instanceof IQueryAtomContainer) { mcs = new MCSPlusHandler((IQueryAtomContainer) getQuery(), getTarget()); } else { mcs = new MCSPlusHandler(getQuery(), getTarget(), isMatchBonds(), isMatchRings(), isMatchAtomType()); } clearMaps(); getMCSList().addAll(mcs.getAllAtomMapping()); return mcs.isTimeout(); }
private synchronized boolean substructureAlgorithm() throws CDKException { Substructure mcs; if (getQuery() instanceof IQueryAtomContainer) { mcs = new Substructure((IQueryAtomContainer) getQuery(), getTarget(), true); } else { mcs = new Substructure(getQuery(), getTarget(), isMatchBonds(), isMatchRings(), isMatchAtomType(), true); } clearMaps(); if (mcs.isSubgraph()) { getMCSList().addAll(mcs.getAllAtomMapping()); } return mcs.isSubgraph(); }
private synchronized boolean substructureAlgorithm() throws CDKException { Substructure mcs; if (getQuery() instanceof IQueryAtomContainer) { mcs = new Substructure((IQueryAtomContainer) getQuery(), getTarget(), true); } else { mcs = new Substructure(getQuery(), getTarget(), isMatchBonds(), isMatchRings(), isMatchAtomType(), true); } clearMaps(); if (mcs.isSubgraph()) { getMCSList().addAll(mcs.getAllAtomMapping()); } return mcs.isSubgraph(); }