Package ffx.potential.utils

Class EnergyException

java.lang.Object

java.lang.Throwable

java.lang.Exception

java.lang.RuntimeException

java.lang.ArithmeticException

ffx.potential.utils.EnergyException

All Implemented Interfaces:

Serializable

public class EnergyException
extends ArithmeticException

This Exception class indicates an error in calculating energy or gradients. Expected behavior is that it will be caught by Potential.energy(), resulting in any necessary cleanup. Then, if the causeSevere flag is set true, ForceFieldEnergy will issue a logger.severe (resulting in exit). Otherwise, ForceFieldEnergy will simply rethrow the exception. The default is to rethrow the exception.

Since:

1.0

Author:

Jacob Litman, Michael J. Schnieders

See Also:

• Serialized Form

Constructor Summary

Constructors

Constructor	Description
EnergyException()	Constructor for EnergyException.
EnergyException(String str)	Constructor for EnergyException.
EnergyException(String str, boolean causeSevere)	Constructor for EnergyException.
EnergyException(String str, boolean causeSevere, double energy)	Constructor for EnergyException.

Method Summary

Modifier and Type	Method	Description
boolean	doCauseSevere()	doCauseSevere.
double	getEnergy()	Return the reported Energy.

Methods inherited from class java.lang.Throwable

addSuppressed, fillInStackTrace, getCause, getLocalizedMessage, getMessage, getStackTrace, getSuppressed, initCause, printStackTrace, printStackTrace, printStackTrace, setStackTrace, toString

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Constructor Details

EnergyException

public EnergyException()

Constructor for EnergyException.

EnergyException

public EnergyException(String str)

Constructor for EnergyException.

Parameters:

str - a String object.

EnergyException

public EnergyException(String str,
 boolean causeSevere)

Constructor for EnergyException.

Parameters:

str - a String object.

causeSevere - a boolean.

EnergyException

public EnergyException(String str,
 boolean causeSevere,
 double energy)

Constructor for EnergyException.

Parameters:

str - a String object.

causeSevere - a boolean.

Method Details

getEnergy

public double getEnergy()

Return the reported Energy.

Returns:

Energy.

doCauseSevere

public boolean doCauseSevere()

doCauseSevere.

Returns:

a boolean.