private synchronized Collection<Fragment> getMCSS(BaseMapping comparison) { Set<Fragment> matchList = new HashSet<>(); comparison.getAllAtomMapping().stream().forEach((mapping) -> { IAtomContainer match; try { match = mapping.getCommonFragment(); try { matchList.add(new Fragment(match)); } catch (CDKException ex) { LOGGER.error("ERROR IN MCS Thread: ", ex); } } catch (CloneNotSupportedException ex) { LOGGER.error("ERROR IN MCS Thread: ", ex); } }); return matchList; }
private synchronized Collection<Fragment> getMCSS(BaseMapping comparison) { Set<Fragment> matchList = new HashSet<>(); for (AtomAtomMapping mapping : comparison.getAllAtomMapping()) { IAtomContainer match; try { match = mapping.getCommonFragment(); try { matchList.add(new Fragment(match)); } catch (CDKException ex) { logger.error("ERROR IN MCS Thread: ", ex); } } catch (CloneNotSupportedException ex) { logger.error("ERROR IN MCS Thread: ", ex); } } return matchList; }
private synchronized Collection<Fragment> getMCSS(BaseMapping comparison) { Set<Fragment> matchList = new HashSet<>(); for (AtomAtomMapping mapping : comparison.getAllAtomMapping()) { IAtomContainer match; try { match = mapping.getCommonFragment(); try { matchList.add(new Fragment(match)); } catch (CDKException ex) { logger.error("ERROR IN MCS Thread: ", ex); } } catch (CloneNotSupportedException ex) { logger.error("ERROR IN MCS Thread: ", ex); } } return matchList; }
outputHandler.printHeader(queryPath, targetPath, nAtomsMatched); int counter = 0; for (AtomAtomMapping aam : smsd.getAllAtomMapping()) { Map<Integer, Integer> mapping = aam.getMappingsByIndex(); if (argumentHandler.isImage() && !mapping.isEmpty()) {
outputHandler.printHeader(queryPath, targetPath, nAtomsMatched); int counter = 0; for (AtomAtomMapping aam : smsd.getAllAtomMapping()) { Map<Integer, Integer> mapping = aam.getMappingsByIndex(); if (argumentHandler.isImage() && !mapping.isEmpty()) {