public class Trajectory
extends java.lang.Object
Modifier and Type | Field and Description |
---|---|
protected boolean |
swigCMemOwn |
Modifier | Constructor and Description |
---|---|
protected |
Trajectory(long cPtr,
boolean cMemoryOwn) |
|
Trajectory(long dimension,
long numPoints) |
|
Trajectory(long dimension,
long numPoints,
SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t snapshotVect) |
|
Trajectory(Trajectory other) |
Modifier and Type | Method and Description |
---|---|
long |
addConformersToMol(ROMol mol) |
long |
addConformersToMol(ROMol mol,
int from) |
long |
addConformersToMol(ROMol mol,
int from,
int to) |
long |
addSnapshot(Snapshot s) |
void |
clear() |
void |
delete() |
long |
dimension() |
protected void |
finalize() |
protected static long |
getCPtr(Trajectory obj) |
Snapshot |
getSnapshot(long snapshotNum) |
long |
insertSnapshot(long snapshotNum,
Snapshot s) |
long |
numPoints() |
long |
removeSnapshot(long snapshotNum) |
long |
size() |
protected Trajectory(long cPtr, boolean cMemoryOwn)
public Trajectory(long dimension, long numPoints, SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t snapshotVect)
public Trajectory(long dimension, long numPoints)
public Trajectory(Trajectory other)
protected static long getCPtr(Trajectory obj)
protected void finalize()
finalize
in class java.lang.Object
public void delete()
public long dimension()
public long numPoints()
public long size()
public long addSnapshot(Snapshot s)
public Snapshot getSnapshot(long snapshotNum)
public long insertSnapshot(long snapshotNum, Snapshot s)
public long removeSnapshot(long snapshotNum)
public void clear()
public long addConformersToMol(ROMol mol, int from, int to)
public long addConformersToMol(ROMol mol, int from)
public long addConformersToMol(ROMol mol)