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)
|
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)