org.jmol.api
public interface SmilesMatcherInterface
Modifier and Type | Method and Description |
---|---|
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 |
getRelationship(String smiles1,
String smiles2) |
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) |
String |
reverseChirality(String smiles) |
String getLastException()
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)
int[][] getCorrelationMaps(String pattern, JmolNode[] atoms, int atomCount, BitSet bsSelected, boolean isSmarts, boolean firstMatchOnly)
String getSmiles(JmolNode[] atoms, int atomCount, BitSet bsSelected, boolean asBioSmiles, boolean allowUnmatchedRings, boolean addCrossLinks, String comment)