Class AtomSelection


  • @Beta
    @PublicAPI
    public class AtomSelection
    extends Object
    Selection which contains atom indexes.

    Please note that this class is marked with @Beta annotation, so it can be subject of incompatible changes or removal in later releases.

    Since:
    Marvin 6.2
    • Constructor Detail

      • AtomSelection

        public AtomSelection​(List<Integer> primaryIndexes,
                             List<Integer> secondaryIndexes)
        Constructs an AtomSelection from lists.
        Parameters:
        primaryIndexes - primary indexes
        secondaryIndexes - secondary indexes
      • AtomSelection

        @Deprecated
        public AtomSelection​(int[] primaryIndexes,
                             int[] secondaryIndexes)
        Deprecated.
        Constructs an AtomSelection from arrays.
        Parameters:
        primaryIndexes - primary indexes
        secondaryIndexes - secondary indexes
      • AtomSelection

        @Deprecated
        public AtomSelection​(int primaryIndex,
                             int[] secondaryIndexes)
        Deprecated.
        Constructs an AtomSelection.
        Parameters:
        primaryIndex - primary index
        secondaryIndexes - secondary indexes
    • Method Detail

      • getPrimaryIndexes

        public List<Integer> getPrimaryIndexes()
        Gets the primary indexes.
        Returns:
        list of primary indexes
      • getSecondaryIndexes

        public List<Integer> getSecondaryIndexes()
        Gets the secondary indexes.
        Returns:
        list of secondary indexes
      • primaryAtomIndexes

        @Deprecated
        public int[] primaryAtomIndexes()
        Deprecated.
        Gets the primary indexes.
        Returns:
        a copy of primary indexes array
      • secondaryAtomIndexes

        @Deprecated
        public int[] secondaryAtomIndexes()
        Deprecated.
        Gets the secondary indexes.
        Returns:
        a copy of secondary indexes array
      • toString

        public String toString()
        Creates a string representation.
        Overrides:
        toString in class Object
        Returns:
        string