public class InversionContrib extends ForceFieldContrib
Modifier | Constructor and Description |
---|---|
|
InversionContrib() |
|
InversionContrib(ForceField owner,
long idx1,
long idx2,
long idx3,
long idx4,
int at2AtomicNum,
boolean isCBoundToO) |
|
InversionContrib(ForceField owner,
long idx1,
long idx2,
long idx3,
long idx4,
int at2AtomicNum,
boolean isCBoundToO,
double oobForceScalingFactor) |
protected |
InversionContrib(long cPtr,
boolean cMemoryOwn) |
Modifier and Type | Method and Description |
---|---|
ForceFieldContrib |
copy() |
void |
delete() |
protected void |
finalize() |
protected static long |
getCPtr(InversionContrib obj) |
double |
getEnergy(SWIGTYPE_p_double pos) |
void |
getGrad(SWIGTYPE_p_double pos,
SWIGTYPE_p_double grad) |
getCPtr
protected InversionContrib(long cPtr, boolean cMemoryOwn)
public InversionContrib()
public InversionContrib(ForceField owner, long idx1, long idx2, long idx3, long idx4, int at2AtomicNum, boolean isCBoundToO, double oobForceScalingFactor)
public InversionContrib(ForceField owner, long idx1, long idx2, long idx3, long idx4, int at2AtomicNum, boolean isCBoundToO)
protected static long getCPtr(InversionContrib obj)
protected void finalize()
finalize
in class ForceFieldContrib
public void delete()
delete
in class ForceFieldContrib
public double getEnergy(SWIGTYPE_p_double pos)
getEnergy
in class ForceFieldContrib
public void getGrad(SWIGTYPE_p_double pos, SWIGTYPE_p_double grad)
getGrad
in class ForceFieldContrib
public ForceFieldContrib copy()
copy
in class ForceFieldContrib