public interface SmilesMatcherInterface
Modifier and Type | Method and Description |
---|---|
int |
areEqual(java.lang.String smiles1,
java.lang.String smiles2) |
java.util.BitSet[] |
find(java.lang.String pattern,
java.lang.String smiles,
boolean isSmarts,
boolean firstMatchOnly) |
int[][] |
getCorrelationMaps(java.lang.String pattern,
JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
boolean isSmarts,
boolean firstMatchOnly) |
java.lang.String |
getLastException() |
java.lang.String |
getMolecularFormula(java.lang.String pattern,
boolean isSearch) |
java.lang.String |
getRelationship(java.lang.String smiles1,
java.lang.String smiles2) |
java.lang.String |
getSmiles(JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
boolean asBioSmiles,
boolean allowUnmatchedRings,
boolean addCrossLinks,
java.lang.String comment) |
java.util.BitSet |
getSubstructureSet(java.lang.String pattern,
JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
boolean isSmarts,
boolean firstMatchOnly) |
java.util.BitSet[] |
getSubstructureSetArray(java.lang.String pattern,
JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
java.util.BitSet bsAromatic,
boolean isSmarts,
boolean firstMatchOnly) |
java.lang.String |
reverseChirality(java.lang.String smiles) |
java.lang.String getLastException()
int areEqual(java.lang.String smiles1, java.lang.String smiles2)
java.util.BitSet[] find(java.lang.String pattern, java.lang.String smiles, boolean isSmarts, boolean firstMatchOnly)
java.util.BitSet getSubstructureSet(java.lang.String pattern, JmolNode[] atoms, int atomCount, java.util.BitSet bsSelected, boolean isSmarts, boolean firstMatchOnly)
java.util.BitSet[] getSubstructureSetArray(java.lang.String pattern, JmolNode[] atoms, int atomCount, java.util.BitSet bsSelected, java.util.BitSet bsAromatic, boolean isSmarts, boolean firstMatchOnly)
int[][] getCorrelationMaps(java.lang.String pattern, JmolNode[] atoms, int atomCount, java.util.BitSet bsSelected, boolean isSmarts, boolean firstMatchOnly)
java.lang.String getMolecularFormula(java.lang.String pattern, boolean isSearch)
java.lang.String getSmiles(JmolNode[] atoms, int atomCount, java.util.BitSet bsSelected, boolean asBioSmiles, boolean allowUnmatchedRings, boolean addCrossLinks, java.lang.String comment)
java.lang.String getRelationship(java.lang.String smiles1, java.lang.String smiles2)
java.lang.String reverseChirality(java.lang.String smiles)