public class AngleBendContrib extends ForceFieldContrib
Modifier | Constructor and Description |
---|---|
|
AngleBendContrib() |
|
AngleBendContrib(ForceField owner,
long idx1,
long idx2,
long idx3,
double bondOrder12,
double bondOrder23,
AtomicParams at1Params,
AtomicParams at2Params,
AtomicParams at3Params) |
|
AngleBendContrib(ForceField owner,
long idx1,
long idx2,
long idx3,
double bondOrder12,
double bondOrder23,
AtomicParams at1Params,
AtomicParams at2Params,
AtomicParams at3Params,
long order) |
protected |
AngleBendContrib(long cPtr,
boolean cMemoryOwn) |
Modifier and Type | Method and Description |
---|---|
ForceFieldContrib |
copy() |
void |
delete() |
protected void |
finalize() |
protected static long |
getCPtr(AngleBendContrib obj) |
double |
getEnergy(SWIGTYPE_p_double pos) |
void |
getGrad(SWIGTYPE_p_double pos,
SWIGTYPE_p_double grad) |
getCPtr
protected AngleBendContrib(long cPtr, boolean cMemoryOwn)
public AngleBendContrib()
public AngleBendContrib(ForceField owner, long idx1, long idx2, long idx3, double bondOrder12, double bondOrder23, AtomicParams at1Params, AtomicParams at2Params, AtomicParams at3Params, long order)
public AngleBendContrib(ForceField owner, long idx1, long idx2, long idx3, double bondOrder12, double bondOrder23, AtomicParams at1Params, AtomicParams at2Params, AtomicParams at3Params)
protected static long getCPtr(AngleBendContrib 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