Package ffx.crystal

Class HKL

java.lang.Object
ffx.crystal.HKL
public class HKL extends Object
The HKL class represents a single reflection.
Since:
1.0
Author:
Timothy D. Fenn
See Also:

  • Field Summary

    Fields
    Modifier and Type
    Field
    Description
    protected int
    allowed
    Allowed is used for centric reflections.
    protected int
    bin
    The bin number of this reflection, which is used for resolution dependent R/Rfree.
    protected int
    epsilon
    The epsilon value of the reflection, which is used for systematic absences.
    protected int
    h
    The h-index of the reflection.
    protected int
    index
    The unique index of this reflection.
    protected int
    k
    The k-index of the reflection.
    protected int
    l
    The l-index of the reflection.

  • Constructor Summary

    Constructors
    Constructor
    Description
    HKL()
    Constructor for HKL.
    HKL(int h, int k, int l)
    Constructor for HKL.
    HKL(int h, int k, int l, int eps, int allowed)
    Constructor for HKL.

  • Method Summary

    Modifier and Type
    Method
    Description
    boolean
    centric()
    Is this reflection centric?
    int
    epsilonc()
    epsilonc
    boolean
    equals(Object o)
    double
    getAllowed()
    getAllowed
    int
    getBin()
    The bin number of this reflection, which is used for resolution dependent R/Rfree.
    int
    getEpsilon()
    getEpsilon
    int
    getH()
    The h-index of the reflection.
    int
    getIndex()
    Get the index of this reflection.
    int
    getK()
    Get the k-index of the reflection.
    int
    getL()
    Get the l-index of the reflection.
    int
    hashCode()
    HKL
    neg()
    Negate the reflection.
    double
    quadForm(double[][] mat)
    quadForm
    void
    setAllowed(int allowed)
    setAllowed
    void
    setBin(int bin)
    Set the bin number of this reflection, which is used for resolution dependent R/Rfree.
    void
    setEpsilon(int eps)
    setEpsilon
    void
    setH(int h)
    Set the h-index of the reflection.
    void
    setIndex(int index)
    Set the index of this reflection.
    void
    setK(int k)
    Set the k-index of the reflection.
    void
    setL(int l)
    Set the l-index of the reflection.
    boolean
    sysAbs()
    Is this reflection a systematic absence?
    String
    toString()

    Methods inherited from class java.lang.Object

    clone, finalize, getClass, notify, notifyAll, wait, wait, wait

  • Field Details

    • h

      protected int h
      The h-index of the reflection.

    • k

      protected int k
      The k-index of the reflection.

    • l

      protected int l
      The l-index of the reflection.

    • epsilon

      protected int epsilon
      The epsilon value of the reflection, which is used for systematic absences.

    • allowed

      protected int allowed
      Allowed is used for centric reflections.

    • bin

      protected int bin
      The bin number of this reflection, which is used for resolution dependent R/Rfree.

    • index

      protected int index
      The unique index of this reflection.

  • Constructor Details

    • HKL

      public HKL()
      Constructor for HKL.

    • HKL

      public HKL(int h, int k, int l)
      Constructor for HKL.
      Parameters:
      h - The h-index of the reflection.
      k - The k-index of the reflection.
      l - The l-index of the reflection.

    • HKL

      public HKL(int h, int k, int l, int eps, int allowed)
      Constructor for HKL.
      Parameters:
      h - The h-index of the reflection.
      k - The k-index of the reflection.
      l - The l-index of the reflection.
      eps - an int.
      allowed - an int.

  • Method Details

    • neg

      public HKL neg()
      Negate the reflection.
      Returns:
      a HKL object.

    • sysAbs

      public boolean sysAbs()
      Is this reflection a systematic absence?
      Returns:
      a boolean.

    • quadForm

      public double quadForm(double[][] mat)
      quadForm
      Parameters:
      mat - an array of double.
      Returns:
      a double.

    • getAllowed

      public double getAllowed()
      getAllowed
      Returns:
      a double.

    • setAllowed

      public void setAllowed(int allowed)
      setAllowed
      Parameters:
      allowed - an int.

    • getBin

      public int getBin()
      The bin number of this reflection, which is used for resolution dependent R/Rfree.
      Returns:
      the bin number of this reflection.

    • setBin

      public void setBin(int bin)
      Set the bin number of this reflection, which is used for resolution dependent R/Rfree.
      Parameters:
      bin - the bin number of this reflection.

    • centric

      public boolean centric()
      Is this reflection centric?
      Returns:
      a boolean.

    • getEpsilon

      public int getEpsilon()
      getEpsilon
      Returns:
      an int.

    • setEpsilon

      public void setEpsilon(int eps)
      setEpsilon
      Parameters:
      eps - an int.

    • epsilonc

      public int epsilonc()
      epsilonc
      Returns:
      an int.

    • equals

      public boolean equals(Object o)
      Overrides:
      equals in class Object

    • getH

      public int getH()
      The h-index of the reflection.
      Returns:
      The h-index of the reflection.

    • setH

      public void setH(int h)
      Set the h-index of the reflection.
      Parameters:
      h - The h-index of the reflection.

    • hashCode

      public int hashCode()
      Overrides:
      hashCode in class Object

    • getIndex

      public int getIndex()
      Get the index of this reflection.
      Returns:
      an int.

    • setIndex

      public void setIndex(int index)
      Set the index of this reflection.
      Parameters:
      index - The unique index of this reflection.

    • getK

      public int getK()
      Get the k-index of the reflection.
      Returns:
      an int.

    • setK

      public void setK(int k)
      Set the k-index of the reflection.
      Parameters:
      k - an int.

    • getL

      public int getL()
      Get the l-index of the reflection.
      Returns:
      an int.

    • setL

      public void setL(int l)
      Set the l-index of the reflection.
      Parameters:
      l - an int.

    • toString

      public String toString()
      Overrides:
      toString in class Object