Interface StereoConstants

All Known Implementing Classes:
Hydrogenize, MolAtom, MolBond, Molecule, MoleculeGraph, MolExport, MolImport, MolSearch, QueryBond, RgMolecule, RGroupDecomposition, RxnMolecule, Search, SelectionMolecule, SgroupAtom, StandardizedMolSearch

@PublicApi public interface StereoConstants
Constants for atom parity and double bond stereo.
  • Field Summary

    Fields
    Modifier and Type
    Field
    Description
    static final int
    Non-CIP stereodescriptor, anti (relative configuration).
    static final int
    Either stereo atom type.
    static final int
    Stereo atom type mask.
    static final int
    No stereo atom type specified.
    static final int
    Specific stereo atom type.
    static final int
    Axially chiral atom with M configuration.
    static final int
    Chirality mask in flags.
    static final int
    Axially chiral atom with P configuration.
    static final int
    Pseudo-asymmetric chiral atom of r configuration.
    static final int
    Chiral atom of R configuration.
    static final int
    Pseudo-asymmetric chiral atom of s configuration.
    static final int
    Chiral atom of S configuration.
    static final int
    R/S shown always.
    static final int
    R/S shown always and highlight possible chiral centers as well.
    static final int
    R/S not shown for any molecule.
    static final int
    R/S shown only if chiral flag is set in molecule or the atom's enhanced stereo type is absolute.
    static final int
    Cis double bond.
    static final int
    Cis and trans double bond mask.
    static final int
    Double bond stereo mask.
    static final int
    Deprecated.
    As of Marvin 6.1,
    Usage:
    static final int
    Unspecified double bond.
    static final int
    Double bond stereo checking for all double bonds.
    static final int
    Double bond stereo checking for marked double bonds only.
    static final int
    No double bond stereo checking.
    static final int
    Non-CIP stereodescriptor, endo (relative configuration).
    static final int
    Non-CIP stereodescriptor, exo (relative configuration).
    static final int
    Atom with allene like parity.
    static final int
    Odd or even parity.
    static final int
    Chiral atom of even parity (counterclockwise arrangement).
    static final int
    Parity mask in flags.
    static final int
    Atom with no parity.
    static final int
    Chiral atom of odd parity (clockwise arrangement).
    static final int
    Atom with tetrahedral parity.
    static final int
    Unspecified parity flag.
    static final int
    Absolute stereo group type for enhanced stereo representation.
    static final int
    AND stereo group type for enhanced stereo representation.
    static final int
    Empty stereo group type setting meaning no enhanced stereo label.
    static final int
    OR stereo group type for enhanced stereo representation.
    static final int
    Non-CIP stereodescriptor, syn (relative configuration).
    static final int
    Trans double bond.