Class CalculateContacts

  • All Implemented Interfaces:
    java.io.Serializable, org.apache.spark.api.java.function.FlatMapFunction<scala.Tuple2<java.lang.String,​org.rcsb.mmtf.api.StructureDataInterface>,​org.biojava.nbio.structure.contact.AtomContact>

    public class CalculateContacts
    extends java.lang.Object
    implements org.apache.spark.api.java.function.FlatMapFunction<scala.Tuple2<java.lang.String,​org.rcsb.mmtf.api.StructureDataInterface>,​org.biojava.nbio.structure.contact.AtomContact>
    Class to calculate all interatomic distances between charged atoms. Tuple2StringStructureDataInterface is the entry type. String is the return type. Flatmap means that the return from call must be an interable of String and Float (stored in Tuple2). String and Float can be changed to any type (including custom data objects).
    Author:
    Anthony Bradley
    See Also:
    Serialized Form
    • Constructor Summary

      Constructors 
      Constructor Description
      CalculateContacts​(org.rcsb.mmtf.spark.data.AtomSelectObject selectObjectOne, org.rcsb.mmtf.spark.data.AtomSelectObject selectObjectTwo, double cutoff)  
      CalculateContacts​(org.rcsb.mmtf.spark.data.AtomSelectObject selectObjectOne, org.rcsb.mmtf.spark.data.AtomSelectObject selectObjectTwo, double cutoff, boolean fast)  
    • Method Summary

      All Methods Instance Methods Concrete Methods 
      Modifier and Type Method Description
      java.util.Iterator<org.biojava.nbio.structure.contact.AtomContact> call​(scala.Tuple2<java.lang.String,​org.rcsb.mmtf.api.StructureDataInterface> t)  
      • Methods inherited from class java.lang.Object

        clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
    • Constructor Detail

      • CalculateContacts

        public CalculateContacts​(org.rcsb.mmtf.spark.data.AtomSelectObject selectObjectOne,
                                 org.rcsb.mmtf.spark.data.AtomSelectObject selectObjectTwo,
                                 double cutoff)
        Parameters:
        selectObjectOne -
        selectObjectTwo -
        cutoff -
      • CalculateContacts

        public CalculateContacts​(org.rcsb.mmtf.spark.data.AtomSelectObject selectObjectOne,
                                 org.rcsb.mmtf.spark.data.AtomSelectObject selectObjectTwo,
                                 double cutoff,
                                 boolean fast)
        Parameters:
        selectObjectOne -
        selectObjectTwo -
        cutoff -
        fast -
    • Method Detail

      • call

        public java.util.Iterator<org.biojava.nbio.structure.contact.AtomContact> call​(scala.Tuple2<java.lang.String,​org.rcsb.mmtf.api.StructureDataInterface> t)
                                                                                throws java.lang.Exception
        Specified by:
        call in interface org.apache.spark.api.java.function.FlatMapFunction<scala.Tuple2<java.lang.String,​org.rcsb.mmtf.api.StructureDataInterface>,​org.biojava.nbio.structure.contact.AtomContact>
        Throws:
        java.lang.Exception