ffe.lang
Class MMTerm

java.lang.Object
  ffe.lang.MMTerm

All Implemented Interfaces:

java.io.Serializable

public final class MMTerm

extends java.lang.Object

implements java.io.Serializable

The MMTerm class stores data for one bonded molecular mechanics term.

See Also:

Serialized Form

Field Summary

double	eq Equilibrium value for the term.
double	fc Force Constant for the term
double	fc2 Force Constant for the term
java.lang.String	key Concatenation of atom types for the atoms referred to in the term
int	periodicity Periodicity value for Dihedral and Improper Terms
int	periodicity2 Periodicity value for Dihedral and Improper Terms
double	phase Phase value for Dihedral and Improper Terms
double	phase2 Phase value for Dihedral and Improper Terms

Constructor Summary

MMTerm(java.lang.String k, double f, double e)
Constructor for Bond and Angle Terms

MMTerm(java.lang.String k, double f, double ph, int pe)
Construtor for Dihedral and Improper Terms with one set of values

MMTerm(java.lang.String k, double f, double ph, int pe, double f2, double ph2, int pe2)
Constructor for Dihedral and Improper Terms with two sets of values

Methods inherited from class java.lang.Object

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

Field Detail

key

public final java.lang.String key

Concatenation of atom types for the atoms referred to in the term

eq

public final double eq

Equilibrium value for the term. (ie ~2 angstroms for a bond length)

fc

public final double fc

Force Constant for the term

fc2

public final double fc2

Force Constant for the term

phase

public final double phase

Phase value for Dihedral and Improper Terms

phase2

public final double phase2

Phase value for Dihedral and Improper Terms

periodicity

public final int periodicity

Periodicity value for Dihedral and Improper Terms

periodicity2

public final int periodicity2

Periodicity value for Dihedral and Improper Terms

Constructor Detail

MMTerm

public MMTerm(java.lang.String k,
              double f,
              double e)

Constructor for Bond and Angle Terms

MMTerm

public MMTerm(java.lang.String k,
              double f,
              double ph,
              int pe)

Construtor for Dihedral and Improper Terms with one set of values

MMTerm

public MMTerm(java.lang.String k,
              double f,
              double ph,
              int pe,
              double f2,
              double ph2,
              int pe2)

Constructor for Dihedral and Improper Terms with two sets of values