@Override public synchronized void setChemFilters(boolean stereoFilter, boolean fragmentFilter, boolean energyFilter) { if (getMappingCount() > 0) { if (energyFilter) { try { sortResultsByEnergies(); this.bondEnergiesList = getSortedEnergy(); } catch (CDKException ex) { Logger.error(Level.SEVERE, null, ex); } } if (fragmentFilter) { sortResultsByFragments(); this.fragmentSizeList = getSortedFragment(); } if (stereoFilter) { try { sortResultsByStereoAndBondMatch(); this.stereoScoreList = getStereoMatches(); } catch (CDKException ex) { Logger.error(Level.SEVERE, null, ex); } } } }
@Override public synchronized void setChemFilters(boolean stereoFilter, boolean fragmentFilter, boolean energyFilter) { if (getMappingCount() > 0) { if (energyFilter) { try { sortResultsByEnergies(); this.bondEnergiesList = getSortedEnergy(); } catch (CDKException ex) { Logger.error(Level.SEVERE, null, ex); } } if (fragmentFilter) { sortResultsByFragments(); this.fragmentSizeList = getSortedFragment(); } if (stereoFilter) { try { sortResultsByStereoAndBondMatch(); this.stereoScoreList = getStereoMatches(); } catch (CDKException ex) { Logger.error(Level.SEVERE, null, ex); } } } }
this.fragmentSizeList = getSortedFragment();