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,
JmolNode[] atoms,
int atomCount,
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(JmolNode[] atoms,
int atomCount,
BS bsSelected,
boolean asBioSmiles,
boolean allowUnmatchedRings,
boolean addCrossLinks,
java.lang.String comment) |
BS |
getSubstructureSet(java.lang.String pattern,
JmolNode[] atoms,
int atomCount,
BS bsSelected,
boolean isSmarts,
boolean firstMatchOnly) |
BS[] |
getSubstructureSetArray(java.lang.String pattern,
JmolNode[] atoms,
int atomCount,
BS bsSelected,
BS bsAromatic,
boolean isSmarts,
boolean firstMatchOnly) |
void |
getSubstructureSets(java.lang.String[] smarts,
JmolNode[] atoms,
int atomCount,
int flags,
BS bsSelected,
JmolList<BS> bitSets,
JmolList<BS>[] vRings) |
java.lang.String |
reverseChirality(java.lang.String smiles) |
java.lang.String getLastException()
int areEqual(java.lang.String smiles1, java.lang.String smiles2)
BS[] find(java.lang.String pattern, java.lang.String smiles, boolean isSmarts, boolean firstMatchOnly)
BS getSubstructureSet(java.lang.String pattern, JmolNode[] atoms, int atomCount, BS bsSelected, boolean isSmarts, boolean firstMatchOnly)
BS[] getSubstructureSetArray(java.lang.String pattern, JmolNode[] atoms, int atomCount, BS bsSelected, BS bsAromatic, boolean isSmarts, boolean firstMatchOnly)
int[][] getCorrelationMaps(java.lang.String pattern, JmolNode[] atoms, int atomCount, BS bsSelected, boolean isSmarts, boolean firstMatchOnly)
java.lang.String getMolecularFormula(java.lang.String pattern, boolean isSearch)
java.lang.String getSmiles(JmolNode[] atoms, int atomCount, BS 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)