Package ffx.potential.utils

Class PotentialsFileOpener

java.lang.Object
ffx.potential.utils.PotentialsFileOpener
All Implemented Interfaces:
FileOpener, Runnable
public class PotentialsFileOpener extends Object implements FileOpener
The PotentialsFileOpener class specifies a Runnable object which is constructed with a File and, when run, allows returning any opened MolecularAssembly objects and their associated properties.
Since:
1.0
Author:
Jacob M. Litman, Michael J. Schnieders

  • Constructor Details

    • PotentialsFileOpener

      public PotentialsFileOpener(File file)
      Constructor for PotentialsFileOpener.
      Parameters:
      file - a File object.

  • Method Details

    • getAllAssemblies

      public MolecularAssembly[] getAllAssemblies()
      getAllAssemblies.

      Returns all MolecularAssembly objects created by this opener.

      Specified by:
      getAllAssemblies in interface FileOpener
      Returns:
      an array of MolecularAssembly objects.

    • getAllProperties

      public org.apache.commons.configuration2.CompositeConfiguration[] getAllProperties()
      getAllProperties.

      Returns the properties of all MolecularAssembly objects created by this opener.

      Specified by:
      getAllProperties in interface FileOpener
      Returns:
      an array of CompositeConfiguration objects.

    • getAssembly

      public MolecularAssembly getAssembly()
      getAssembly.

      Returns the first MolecularAssembly created by the run() function.

      Specified by:
      getAssembly in interface FileOpener
      Returns:
      a MolecularAssembly object.

    • getFilter

      public SystemFilter getFilter()
      Getter for the field filter.
      Returns:
      a SystemFilter object.

    • getProperties

      public org.apache.commons.configuration2.CompositeConfiguration getProperties()
      getProperties.

      Returns the properties associated with the first MolecularAssembly.

      Specified by:
      getProperties in interface FileOpener
      Returns:
      a CompositeConfiguration object.

    • run

      public void run()

      At present, parses the PDB, XYZ, INT, or ARC file from the constructor and creates MolecularAssembly and properties objects.

      Specified by:
      run in interface FileOpener
      Specified by:
      run in interface Runnable