Package chemaxon.struc.sgroup

Interface Expandable

All Known Implementing Classes:
AminoAcidSgroup, MultipleSgroup, SuperatomSgroup
@PublicApi public interface Expandable
Expandable interface for S-groups.
Since:
Marvin 3.0, 11/05/2002

  • Field Summary

    Fields
    Modifier and Type
    Field
    Description
    static final int
    DEFAULT_OPTIONS
    Default expansion/contraction options.
    static final int
    FAST_COORDS
    Fast coordinate calculation in expand.
    static final int
    LEAVE_COORDS_UNCHANGED
    Coordinates are not calculated during expand or contract.
    static final int
    MDL_EXPAND
    MDL like multiple group expansion flag.
    static final int
    NONRECURSIVE_EXPAND
    Non recursive expansion of child groups.

  • Method Summary

    Modifier and Type
    Method
    Description
    boolean
    contract(int opts)
    Contracts the S-group.
    boolean
    expand(int opts)
    Expands the S-group.
    boolean
    isExpanded()
    Is this S-group expanded?

  • Field Details

    • DEFAULT_OPTIONS

      static final int DEFAULT_OPTIONS
      Default expansion/contraction options.
      Since:
      Marvin 3.3
      See Also:

    • MDL_EXPAND

      static final int MDL_EXPAND
      MDL like multiple group expansion flag. Coordinates of corresponding atoms in different expanded units are equal. Use this flag for MDL molfile export.
      See Also:

    • LEAVE_COORDS_UNCHANGED

      static final int LEAVE_COORDS_UNCHANGED
      Coordinates are not calculated during expand or contract.
      Since:
      Marvin 6.2, 2013/09/25
      See Also:

    • NONRECURSIVE_EXPAND

      static final int NONRECURSIVE_EXPAND
      Non recursive expansion of child groups.
      Since:
      Marvin 3.4, 04/22/2004
      See Also:

    • FAST_COORDS

      static final int FAST_COORDS
      Fast coordinate calculation in expand.
      Since:
      Marvin 4.1, 01/12/2006
      See Also:

  • Method Details

    • contract

      boolean contract(int opts)
      Contracts the S-group.
      Parameters:
      opts - contraction options
      Returns:
      true if the operation was successful, false if the group cannot be contracted
      See Also:

    • expand

      boolean expand(int opts)
      Expands the S-group.
      Parameters:
      opts - expansion options
      Returns:
      true if the operation was successful, false if the group cannot be expanded
      See Also:

    • isExpanded

      boolean isExpanded()
      Is this S-group expanded?
      Returns:
      true if expanded, false if not