public class RGroupDecomposition
extends java.lang.Object
Modifier and Type | Field and Description |
---|---|
protected boolean |
swigCMemOwn |
Modifier | Constructor and Description |
---|---|
protected |
RGroupDecomposition(long cPtr,
boolean cMemoryOwn) |
|
RGroupDecomposition(ROMol_Vect cores) |
|
RGroupDecomposition(ROMol_Vect cores,
RGroupDecompositionParameters params) |
|
RGroupDecomposition(ROMol core) |
|
RGroupDecomposition(ROMol core,
RGroupDecompositionParameters params) |
Modifier and Type | Method and Description |
---|---|
int |
add(ROMol mol) |
void |
delete() |
protected void |
finalize() |
protected static long |
getCPtr(RGroupDecomposition obj) |
Str_Vect |
getRGroupLabels() |
StringROMol_VectMap |
getRGroupsAsColumns() |
StringMolMap_Vect |
getRGroupsAsRows() |
boolean |
process() |
protected RGroupDecomposition(long cPtr, boolean cMemoryOwn)
public RGroupDecomposition(ROMol core, RGroupDecompositionParameters params)
public RGroupDecomposition(ROMol core)
public RGroupDecomposition(ROMol_Vect cores, RGroupDecompositionParameters params)
public RGroupDecomposition(ROMol_Vect cores)
protected static long getCPtr(RGroupDecomposition obj)
protected void finalize()
finalize
in class java.lang.Object
public void delete()
public int add(ROMol mol)
public boolean process()
public Str_Vect getRGroupLabels()
public StringMolMap_Vect getRGroupsAsRows()
public StringROMol_VectMap getRGroupsAsColumns()