Package ffx.potential.terms

Class OutOfPlaneBendPotentialEnergy

java.lang.Object
ffx.potential.terms.EnergyTerm
ffx.potential.terms.OutOfPlaneBendPotentialEnergy
public class OutOfPlaneBendPotentialEnergy extends EnergyTerm
Out-of-Plane Bend potential energy term using OutOfPlaneBend instances.

  • Constructor Details

    • OutOfPlaneBendPotentialEnergy

      public OutOfPlaneBendPotentialEnergy(String name)
      Create an OutOfPlaneBendPotentialEnergy with the provided name.
      Parameters:
      name - Name for this term.

    • OutOfPlaneBendPotentialEnergy

      public OutOfPlaneBendPotentialEnergy(String name, int forceGroup)
      Create an OutOfPlaneBendPotentialEnergy with the provided name and force group.
      Parameters:
      name - Name for this term.
      forceGroup - Integer force group identifier.

    • OutOfPlaneBendPotentialEnergy

      public OutOfPlaneBendPotentialEnergy(String name, int forceGroup, List<OutOfPlaneBend> outOfPlaneBends)
      Create an OutOfPlaneBendPotentialEnergy initialized with a list of terms and force group.
      Parameters:
      name - Name for this term.
      forceGroup - Force group identifier.
      outOfPlaneBends - List of OutOfPlaneBend instances to add (null-safe).

    • OutOfPlaneBendPotentialEnergy

      public OutOfPlaneBendPotentialEnergy(String name, Collection<OutOfPlaneBend> outOfPlaneBends)
      Create an OutOfPlaneBendPotentialEnergy initialized with a collection of terms.
      Parameters:
      name - Name for this term (may be null).
      outOfPlaneBends - Collection of OutOfPlaneBend instances to add (null-safe).

  • Method Details

    • getNumberOfTerms

      public int getNumberOfTerms()
      Get the number of BondedTerms in this term.
      Specified by:
      getNumberOfTerms in class EnergyTerm
      Returns:
      The number of BondedTerms.

    • getBondedTermsArray

      public BondedTerm[] getBondedTermsArray()
      Get an array of BondedTerms in this term.
      Specified by:
      getBondedTermsArray in class EnergyTerm
      Returns:
      Array of BondedTerms.

    • addOutOfPlaneBend

      public boolean addOutOfPlaneBend(OutOfPlaneBend outOfPlaneBend)
      Add an OutOfPlaneBend to this term.
      Parameters:
      outOfPlaneBend - OutOfPlaneBend to add (ignored if null).
      Returns:
      true if it was added.

    • addOutOfPlaneBends

      public boolean addOutOfPlaneBends(OutOfPlaneBend[] outOfPlaneBends)
      Add an array of OutOfPlaneBends to this term.
      Parameters:
      outOfPlaneBends - Array of OutOfPlaneBend instances to add.
      Returns:
      true if they were added.

    • addOutOfPlaneBends

      public boolean addOutOfPlaneBends(List<OutOfPlaneBend> outOfPlaneBends)
      Add a list of OutOfPlaneBends to this term.
      Parameters:
      outOfPlaneBends - List of OutOfPlaneBend instances to add.
      Returns:
      true if they were added.

    • removeOutOfPlaneBend

      public boolean removeOutOfPlaneBend(OutOfPlaneBend outOfPlaneBend)
      Remove an OutOfPlaneBend from this term.
      Parameters:
      outOfPlaneBend - OutOfPlaneBend to remove (ignored if null).
      Returns:
      true if it was present and removed.

    • getOutOfPlaneBend

      public OutOfPlaneBend getOutOfPlaneBend(int index)
      Get the OutOfPlaneBend at a given index.
      Parameters:
      index - Index in the internal list.
      Returns:
      OutOfPlaneBend at the specified index.
      Throws:
      IndexOutOfBoundsException - if index is invalid.

    • getOutOfPlaneBends

      public List<OutOfPlaneBend> getOutOfPlaneBends()
      Get an unmodifiable view of the OutOfPlaneBends in this term.
      Returns:
      Unmodifiable List of OutOfPlaneBends.

    • getOutOfPlaneBendArray

      public OutOfPlaneBend[] getOutOfPlaneBendArray()
      Get an array of OutOfPlaneBends in this term.
      Returns:
      Array of OutOfPlaneBends.

    • getNumberOfOutOfPlaneBends

      public int getNumberOfOutOfPlaneBends()
      Get the number of OutOfPlaneBends in this term.
      Returns:
      The number of OutOfPlaneBends.

    • getOutOfPlaneEnergyString

      public String getOutOfPlaneEnergyString()
      Get a string representation of the Out-of-Plane Bend energy expression.
      Returns:
      A formatted string representing the energy expression for Out-of-Plane Bends.

    • log

      public void log()
      Log the details of Out-of-Plane Bend interactions.
      Specified by:
      log in class EnergyTerm

    • toPDBString

      public String toPDBString()
      Description copied from class: EnergyTerm
      Get a PDB-style REMARK representation of this energy term.
      Specified by:
      toPDBString in class EnergyTerm
      Returns:
      A PDB REMARK string for this energy term.

    • toString

      public String toString()
      Description copied from class: EnergyTerm
      Get a string representation of this energy term.
      Specified by:
      toString in class EnergyTerm
      Returns:
      A string representation of the energy term.