Package ffx.xray

Class BulkSolventSliceRegion


public class BulkSolventSliceRegion extends SliceRegion
This class implements a spatial decomposition based on partitioning a grid into octants. The over-ridden "selectAtoms" method selects atoms that are not in the asymmetric unit, but are within the supplied cutoff radius.
Since:
1.0
Author:
Michael J. Schnieders
  • Field Details Link icon

    • logger Link icon

      protected static final Logger logger
      Constant logger
  • Constructor Details Link icon

    • BulkSolventSliceRegion Link icon

      public BulkSolventSliceRegion(int gX, int gY, int gZ, double[] grid, int nSymm, int threadCount, Crystal crystal, Atom[] atoms, double[][][] coordinates, double cutoff, ParallelTeam parallelTeam)
      Constructor for BulkSolventDensityRegion.
      Parameters:
      gX - a int.
      gY - a int.
      gZ - a int.
      grid - an array of double.
      nSymm - a int.
      threadCount - a int.
      crystal - a Crystal object.
      atoms - an array of Atom objects.
      coordinates - an array of double.
      cutoff - a double.
      parallelTeam - a ParallelTeam object.
  • Method Details Link icon

    • run Link icon

      public void run()
      Execute parallel code. All threads of the parallel team call the run() method concurrently.

      The run() method must be implemented in a subclass.

      Overrides:
      run in class SliceRegion
    • selectAtoms Link icon

      public void selectAtoms()
      Select atoms that should be included. The default is to include all atoms, which is set up in the constructor. This function should be over-ridden by subclasses that want finer control.
      Overrides:
      selectAtoms in class SliceRegion