Package ffx.crystal

Class ReflectionList

java.lang.Object
ffx.crystal.ReflectionList
public class ReflectionList extends Object
Class to represent a reflection list.
Since:
1.0
Author:
Timothy D. Fenn
See Also:

  • Field Details

    • hklList

      public final ArrayList<HKL> hklList
      The HKL list.

    • crystal

      public final Crystal crystal
      The Crystal instance.

    • spaceGroup

      public final SpaceGroup spaceGroup
      The space group.

    • resolution

      public final Resolution resolution
      Resolution instance.

    • nBins

      public int nBins
      For binning reflections based on resolution

  • Constructor Details

    • ReflectionList

      public ReflectionList(Crystal crystal, Resolution resolution)
      Constructor for ReflectionList.
      Parameters:
      crystal - a Crystal object.
      resolution - a Resolution object.

    • ReflectionList

      public ReflectionList(Crystal crystal, Resolution resolution, org.apache.commons.configuration2.CompositeConfiguration properties)
      Constructor for ReflectionList.
      Parameters:
      crystal - a Crystal object.
      resolution - a Resolution object.
      properties - a CompositeConfiguration object.

    • ReflectionList

      public ReflectionList(double a, double b, double c, double alpha, double beta, double gamma, String sg, double resolution)
      Constructor for ReflectionList.
      Parameters:
      a - a double.
      b - a double.
      c - a double.
      alpha - a double.
      beta - a double.
      gamma - a double.
      sg - a String object.
      resolution - a double.

  • Method Details

    • findSymHKL

      public boolean findSymHKL(HKL hkl, HKL mate)
      findSymHKL
      Parameters:
      hkl - a HKL object.
      mate - a HKL object.
      Returns:
      a boolean.

    • findSymHKL

      public boolean findSymHKL(int h, int k, int l, HKL mate)
      findSymHKL
      Parameters:
      h - an int.
      k - an int.
      l - an int.
      mate - a HKL object.
      Returns:
      a boolean.

    • findSymHKL

      public boolean findSymHKL(int h, int k, int l, HKL mate, boolean transpose)
      findSymHKL
      Parameters:
      h - an int.
      k - an int.
      l - an int.
      mate - a HKL object.
      transpose - a boolean.
      Returns:
      a boolean.

    • getHKL

      public HKL getHKL(int h, int k, int l)
      getHKL
      Parameters:
      h - an int.
      k - an int.
      l - an int.
      Returns:
      a HKL object.

    • getHKL

      public HKL getHKL(HKL hkl)
      getHKL
      Parameters:
      hkl - a HKL object.
      Returns:
      a HKL object.

    • getMaxResolution

      public double getMaxResolution()
      Get the maximum resolution.
      Returns:
      Maximum resolution

    • getMinResolution

      public double getMinResolution()
      Get the minimum resolution.
      Returns:
      Minimum resolution

    • hasHKL

      public boolean hasHKL(HKL hkl)
      hasHKL
      Parameters:
      hkl - a HKL object.
      Returns:
      a boolean.

    • ordinal

      public final double ordinal(double s)
      ordinal
      Parameters:
      s - a double.
      Returns:
      a double.

    • toString

      public String toString()
      Overrides:
      toString in class Object