public interface SmilesMatcherInterface
Modifier and Type | Method and Description |
---|---|
int |
areEqual(java.lang.String smiles1,
java.lang.String smiles2) |
BS[] |
find(java.lang.String pattern,
java.lang.String smiles,
boolean isSmarts,
boolean firstMatchOnly) |
int[][] |
getCorrelationMaps(java.lang.String pattern,
Node[] atoms,
int ac,
BS 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(Node[] atoms,
int ac,
BS bsSelected,
boolean asBioSmiles,
boolean bioAllowUnmatchedRings,
boolean bioAddCrossLinks,
java.lang.String bioComment,
boolean explicitH) |
BS |
getSubstructureSet(java.lang.String pattern,
Node[] atoms,
int ac,
BS bsSelected,
boolean isSmarts,
boolean firstMatchOnly) |
BS[] |
getSubstructureSetArray(java.lang.String pattern,
Node[] atoms,
int ac,
BS bsSelected,
BS bsAromatic,
boolean isSmarts,
boolean firstMatchOnly) |
void |
getSubstructureSets(java.lang.String[] smarts,
Node[] atoms,
int ac,
int flags,
BS bsSelected,
javajs.util.Lst<BS> bitSets,
javajs.util.Lst<BS>[] vRings) |
java.lang.String |
reverseChirality(java.lang.String smiles) |
java.lang.String getLastException()
int areEqual(java.lang.String smiles1, java.lang.String smiles2) throws java.lang.Exception
java.lang.Exception
BS[] find(java.lang.String pattern, java.lang.String smiles, boolean isSmarts, boolean firstMatchOnly) throws java.lang.Exception
java.lang.Exception
BS getSubstructureSet(java.lang.String pattern, Node[] atoms, int ac, BS bsSelected, boolean isSmarts, boolean firstMatchOnly) throws java.lang.Exception
java.lang.Exception
BS[] getSubstructureSetArray(java.lang.String pattern, Node[] atoms, int ac, BS bsSelected, BS bsAromatic, boolean isSmarts, boolean firstMatchOnly) throws java.lang.Exception
java.lang.Exception
int[][] getCorrelationMaps(java.lang.String pattern, Node[] atoms, int ac, BS bsSelected, boolean isSmarts, boolean firstMatchOnly) throws java.lang.Exception
java.lang.Exception
java.lang.String getMolecularFormula(java.lang.String pattern, boolean isSearch) throws java.lang.Exception
java.lang.Exception
java.lang.String getSmiles(Node[] atoms, int ac, BS bsSelected, boolean asBioSmiles, boolean bioAllowUnmatchedRings, boolean bioAddCrossLinks, java.lang.String bioComment, boolean explicitH) throws java.lang.Exception
java.lang.Exception
java.lang.String getRelationship(java.lang.String smiles1, java.lang.String smiles2) throws java.lang.Exception
java.lang.Exception
java.lang.String reverseChirality(java.lang.String smiles) throws java.lang.Exception
java.lang.Exception