org.jmol.api
Interface SmilesMatcherInterface

All Known Implementing Classes:
SmilesMatcher

public interface SmilesMatcherInterface


Method Summary
 int areEqual(String smiles1, String smiles2)
           
 BitSet[] find(String pattern, String smiles, boolean isSmarts, boolean firstMatchOnly)
           
 int[][] getCorrelationMaps(String pattern, JmolNode[] atoms, int atomCount, BitSet bsSelected, boolean isSmarts, boolean firstMatchOnly)
           
 String getLastException()
           
 String getMolecularFormula(String pattern, boolean isSearch)
           
 String getSmiles(JmolNode[] atoms, int atomCount, BitSet bsSelected, boolean asBioSmiles, boolean allowUnmatchedRings, boolean addCrossLinks, String comment)
           
 BitSet getSubstructureSet(String pattern, JmolNode[] atoms, int atomCount, BitSet bsSelected, boolean isSmarts, boolean firstMatchOnly)
           
 BitSet[] getSubstructureSetArray(String pattern, JmolNode[] atoms, int atomCount, BitSet bsSelected, BitSet bsAromatic, boolean isSmarts, boolean firstMatchOnly)
           
 

Method Detail

getLastException

String getLastException()

areEqual

int areEqual(String smiles1,
             String smiles2)

find

BitSet[] find(String pattern,
              String smiles,
              boolean isSmarts,
              boolean firstMatchOnly)

getSubstructureSet

BitSet getSubstructureSet(String pattern,
                          JmolNode[] atoms,
                          int atomCount,
                          BitSet bsSelected,
                          boolean isSmarts,
                          boolean firstMatchOnly)

getSubstructureSetArray

BitSet[] getSubstructureSetArray(String pattern,
                                 JmolNode[] atoms,
                                 int atomCount,
                                 BitSet bsSelected,
                                 BitSet bsAromatic,
                                 boolean isSmarts,
                                 boolean firstMatchOnly)

getCorrelationMaps

int[][] getCorrelationMaps(String pattern,
                           JmolNode[] atoms,
                           int atomCount,
                           BitSet bsSelected,
                           boolean isSmarts,
                           boolean firstMatchOnly)

getMolecularFormula

String getMolecularFormula(String pattern,
                           boolean isSearch)

getSmiles

String getSmiles(JmolNode[] atoms,
                 int atomCount,
                 BitSet bsSelected,
                 boolean asBioSmiles,
                 boolean allowUnmatchedRings,
                 boolean addCrossLinks,
                 String comment)