Enum Class StructureCheckerErrorType

java.lang.Object
java.lang.Enum<StructureCheckerErrorType>
chemaxon.checkers.StructureCheckerErrorType
All Implemented Interfaces:
Serializable, Comparable<StructureCheckerErrorType>, java.lang.constant.Constable

@PublicAPI public enum StructureCheckerErrorType extends Enum<StructureCheckerErrorType>
Enum containing possible error types for structure checkers.
Since:
Marvin 5.3
  • Nested Class Summary

    Nested classes/interfaces inherited from class java.lang.Enum

    Enum.EnumDesc<E extends Enum<E>>
  • Enum Constant Summary

    Enum Constants
    Enum Constant
    Description
    Error type represents that abbreviated groups had found in the molecule
    Error type represents that only contracted abbreviated groups had found in the molecule
    Error type represents that only expanded abbreviated groups had found in the molecule
    Error type represents that molecule is chiral, but flag is not added to the molecule
    Error type represents molecules in which all asymmetric centers have absolute stereo configuration
    Error type represents that alias values had found in the molecule
    Error type represents that alias value that could be converted to an element had found in the molecule
    Error type represents that alias value that could be converted to an abbreviated group had found in the molecule
    Error type represents that alias value had found in the molecule
    Error type represents that aromaticity problem had found in the molecule
    Error type represents that atom maps had found in the molecule
    Error type representing that an atom has a query property set.
    Error type represents that atom with the specified symbol had found in the molecule
    Error type represents that atom values had found in the molecule
    Error type represents that atropisomers are found in the molecule
    Error type represents that attached data had found in the molecule
    Error type represents that bond angle problem had found in the molecule
    Error type represents that bond length problem had found in the molecule
    Error type represents that molecule contains bond(s) with topology.
    Error type representing that the molecule contains brackets (S-groups).
    Error type represents molecules marked with "absolute stereo" flag.
    Error type represents that molecule with circular R-group definition found
    Error type represents that incorrectly drawn covalent counter ion had found in the molecule
    Error type represents that crossed double bond had found in the molecule
    Error type represents that molecule with serious scanning or drawing issue had found
    Error type represents that molecule contains either double bonds which are not valid
    Error type represents that molecule structure was empty
    Error type represents that explicit hydrogen had found in the molecule
    Error type represents that explicit lone pair had found in the molecule
    Error type for externally developed StructureChecker classes
    Error type represents that molecule contains double bonds, that can be cis or trans
    Represents incorrect/impossible arrangement of wedge bond around chiral centers.
    Error type represents that stereo center with no enhanced stereo property had found in the molecule
    Error type represents that invalid coordination system had found in the molecule
    Error type represents that invalid mapping had found in the molecule (represents a reaction)
    Error type represents that molecule with invalid rgroup had found
    Deprecated.
    Deprecated.
    Error type represents that isotpoe atom had found in the molecule
    Error type represents that incorrectly drawn metallocene had found in the molecule
    Error type represents that incorrectly drawn metallocenes had found in the molecule
    Error type represents that atom with no atom map had found in the molecule
    Error type represents that molecule with missing R-group definition found
    Error type represents that the sum charge of the molecule wasn't zero
    Error type representing that invalid R-group definition is in the molecule
    Error type represents that molecule had contained multiple components
    Error type represents that molecule contains multiple stereo centers
    Error type for results sign no error.
    Wedge configuration around a chiral center doesn't follow IUPAC recommendations.
    The wedge is connected to a non-stereo atom.
    Error type represents that overlapping atoms had found in the molecule
    Error type represents that overlapping bonds had found in the molecule
    Error type represents that atom with pseudo property could be converted to abbreviated group had found in the molecule
    Error type represents that atom with pseudo property had found in the molecule
    Error type represents that atom with query properties had found in the molecule
    Error type represents that bond with query properties had found in the molecule
    Error type representing asymmetric atom without specific stereo configuration.
    Error type represents that atom with radical had found in the molecule
    Error type represents that rare element had found in the molecule
    Error type representing that the molecule contains R-atom.
    Error type represents that molecule contains reacting center bond marks.
    Error type represents that molecules having multiple stereogenic center groups
    Error type representing invalid attachments in R-group definitions.
    Error type representing invalid R-atoms corresponding to R-group bridge definitions.
    Error type represents that small ring error had found in the molecule
    Error type represents that solvent had found in the molecule
    Error type represents that more than one type of solvents had found in the molecule
    Error type represents that star atom had found in the molecule
    Error type representing stereo search markers in the molecule
    Error type representing stereo inversion/retention marks in the molecule/reaction
    Error type represents molecules containing "either" double bonds.
    Error type represents that the needed substructure had found
    Error type represents that the needed substructure had found but no data will be available for the fix in the result
    Error type represents that 3d coordinates had found in the molecule
    Error type representing reactions scheme having more atoms on one side of the reaction arrow than on the other.
    Error type represents that molecule with unused R-group definition found
    Error type represents that valence error had found in the molecule
    Error type representing that an atom has a valence property set.
    Error type represents that wiggly bond had found in the molecule
    Error type represents molecules having wiggly bonds on tetrahedral stereo centers
  • Method Summary

    Modifier and Type
    Method
    Description
    Returns the enum constant of this class with the specified name.
    Returns an array containing the constants of this enum class, in the order they are declared.

    Methods inherited from class java.lang.Object

    getClass, notify, notifyAll, wait, wait, wait
  • Enum Constant Details

    • ABBREVIATED_GROUP

      public static final StructureCheckerErrorType ABBREVIATED_GROUP
      Error type represents that abbreviated groups had found in the molecule
    • ABBREVIATED_GROUP_WITH_ONLY_CONTRACTED

      public static final StructureCheckerErrorType ABBREVIATED_GROUP_WITH_ONLY_CONTRACTED
      Error type represents that only contracted abbreviated groups had found in the molecule
    • ABBREVIATED_GROUP_WITH_ONLY_EXPANDED

      public static final StructureCheckerErrorType ABBREVIATED_GROUP_WITH_ONLY_EXPANDED
      Error type represents that only expanded abbreviated groups had found in the molecule
    • ABSENT_CHIRAL_FLAG

      public static final StructureCheckerErrorType ABSENT_CHIRAL_FLAG
      Error type represents that molecule is chiral, but flag is not added to the molecule
    • ABSOLUTE_STEREO_CONFIGURATION

      public static final StructureCheckerErrorType ABSOLUTE_STEREO_CONFIGURATION
      Error type represents molecules in which all asymmetric centers have absolute stereo configuration
    • ALIAS

      public static final StructureCheckerErrorType ALIAS
      Error type represents that alias values had found in the molecule
    • ALIAS_ATOM

      public static final StructureCheckerErrorType ALIAS_ATOM
      Error type represents that alias value that could be converted to an element had found in the molecule
    • ALIAS_GROUP

      public static final StructureCheckerErrorType ALIAS_GROUP
      Error type represents that alias value that could be converted to an abbreviated group had found in the molecule
    • ALIAS_NONE

      public static final StructureCheckerErrorType ALIAS_NONE
      Error type represents that alias value had found in the molecule
    • AROMATICITY

      public static final StructureCheckerErrorType AROMATICITY
      Error type represents that aromaticity problem had found in the molecule
    • ATOM_MAP

      public static final StructureCheckerErrorType ATOM_MAP
      Error type represents that atom maps had found in the molecule
    • ATOM_QUERY_PROPERTY

      public static final StructureCheckerErrorType ATOM_QUERY_PROPERTY
      Error type representing that an atom has a query property set.
    • ATOM_TYPE

      public static final StructureCheckerErrorType ATOM_TYPE
      Error type represents that atom with the specified symbol had found in the molecule
    • ATOM_VALUE

      public static final StructureCheckerErrorType ATOM_VALUE
      Error type represents that atom values had found in the molecule
    • ATROPISOMER

      public static final StructureCheckerErrorType ATROPISOMER
      Error type represents that atropisomers are found in the molecule
    • ATTACHED_DATA

      public static final StructureCheckerErrorType ATTACHED_DATA
      Error type represents that attached data had found in the molecule
    • BOND_ANGLE

      public static final StructureCheckerErrorType BOND_ANGLE
      Error type represents that bond angle problem had found in the molecule
    • BOND_LENGTH

      public static final StructureCheckerErrorType BOND_LENGTH
      Error type represents that bond length problem had found in the molecule
    • BOND_TOPOLOGY

      public static final StructureCheckerErrorType BOND_TOPOLOGY
      Error type represents that molecule contains bond(s) with topology.
    • BRACKETS

      public static final StructureCheckerErrorType BRACKETS
      Error type representing that the molecule contains brackets (S-groups).
    • CHIRAL_FLAG

      public static final StructureCheckerErrorType CHIRAL_FLAG
      Error type represents molecules marked with "absolute stereo" flag.
    • CIRCULAR_RGROUP_REFERENCE

      public static final StructureCheckerErrorType CIRCULAR_RGROUP_REFERENCE
      Error type represents that molecule with circular R-group definition found
    • COVALENT_COUNTER_ION

      public static final StructureCheckerErrorType COVALENT_COUNTER_ION
      Error type represents that incorrectly drawn covalent counter ion had found in the molecule
    • CROSSED_DOUBLE_BOND

      public static final StructureCheckerErrorType CROSSED_DOUBLE_BOND
      Error type represents that crossed double bond had found in the molecule
    • DOODLE

      public static final StructureCheckerErrorType DOODLE
      Error type represents that molecule with serious scanning or drawing issue had found
    • DOUBLE_BOND_STEREO

      public static final StructureCheckerErrorType DOUBLE_BOND_STEREO
      Error type represents that molecule contains either double bonds which are not valid
    • EMPTY

      public static final StructureCheckerErrorType EMPTY
      Error type represents that molecule structure was empty
    • EXPLICIT_H

      public static final StructureCheckerErrorType EXPLICIT_H
      Error type represents that explicit hydrogen had found in the molecule
    • EXPLICIT_LONE_PAIR

      public static final StructureCheckerErrorType EXPLICIT_LONE_PAIR
      Error type represents that explicit lone pair had found in the molecule
    • EXTERNAL

      public static final StructureCheckerErrorType EXTERNAL
      Error type for externally developed StructureChecker classes
    • EZ_DOUBLE_BOND

      public static final StructureCheckerErrorType EZ_DOUBLE_BOND
      Error type represents that molecule contains double bonds, that can be cis or trans
    • INCORRECT_TETRAHEDRAL_STEREO

      public static final StructureCheckerErrorType INCORRECT_TETRAHEDRAL_STEREO
      Represents incorrect/impossible arrangement of wedge bond around chiral centers.
    • INVALID_CHIRAL_FLAG

      public static final StructureCheckerErrorType INVALID_CHIRAL_FLAG
      Error type represents that stereo center with no enhanced stereo property had found in the molecule
    • INVALID_COORD_SYSTEM

      public static final StructureCheckerErrorType INVALID_COORD_SYSTEM
      Error type represents that invalid coordination system had found in the molecule
    • INVALID_REACTION_MAP

      public static final StructureCheckerErrorType INVALID_REACTION_MAP
      Error type represents that invalid mapping had found in the molecule (represents a reaction)
    • INVALID_RGROUP

      public static final StructureCheckerErrorType INVALID_RGROUP
      Error type represents that molecule with invalid rgroup had found
    • INVALID_STEREO

      @Deprecated public static final StructureCheckerErrorType INVALID_STEREO
      Deprecated.
      Error type represents that a small ring with trans double bond had found in the molecule
    • INVALID_WEDGE

      @Deprecated public static final StructureCheckerErrorType INVALID_WEDGE
      Deprecated.
      Error type represents that invalid wedge bond had found in the molecule
    • ISOTOPE

      public static final StructureCheckerErrorType ISOTOPE
      Error type represents that isotpoe atom had found in the molecule
    • METALLOCENE

      public static final StructureCheckerErrorType METALLOCENE
      Error type represents that incorrectly drawn metallocene had found in the molecule
    • METALLOCENE_AMBIGUOUS

      public static final StructureCheckerErrorType METALLOCENE_AMBIGUOUS
      Error type represents that incorrectly drawn metallocenes had found in the molecule
    • MISSING_ATOM_MAP

      public static final StructureCheckerErrorType MISSING_ATOM_MAP
      Error type represents that atom with no atom map had found in the molecule
    • MISSING_RGROUP

      public static final StructureCheckerErrorType MISSING_RGROUP
      Error type represents that molecule with missing R-group definition found
    • MOLECULE_CHARGE

      public static final StructureCheckerErrorType MOLECULE_CHARGE
      Error type represents that the sum charge of the molecule wasn't zero
    • MULTI_CENTER

      public static final StructureCheckerErrorType MULTI_CENTER
      Error type representing that invalid R-group definition is in the molecule
    • MULTI_COMPONENT

      public static final StructureCheckerErrorType MULTI_COMPONENT
      Error type represents that molecule had contained multiple components
    • MULTIPLE_STEREO_CENTER

      public static final StructureCheckerErrorType MULTIPLE_STEREO_CENTER
      Error type represents that molecule contains multiple stereo centers
    • NO_ERROR

      public static final StructureCheckerErrorType NO_ERROR
      Error type for results sign no error. Not used anywhere. Just for completeness
    • NON_STANDARD_WEDGE_SCHEME

      public static final StructureCheckerErrorType NON_STANDARD_WEDGE_SCHEME
      Wedge configuration around a chiral center doesn't follow IUPAC recommendations. Type: warning
    • NON_STEREO_WEDGE_BOND

      public static final StructureCheckerErrorType NON_STEREO_WEDGE_BOND
      The wedge is connected to a non-stereo atom. Type: error
    • OVERLAPPING_ATOMS

      public static final StructureCheckerErrorType OVERLAPPING_ATOMS
      Error type represents that overlapping atoms had found in the molecule
    • OVERLAPPING_BONDS

      public static final StructureCheckerErrorType OVERLAPPING_BONDS
      Error type represents that overlapping bonds had found in the molecule
    • PSEUDO

      public static final StructureCheckerErrorType PSEUDO
      Error type represents that atom with pseudo property could be converted to abbreviated group had found in the molecule
    • PSEUDO_NO_GROUP

      public static final StructureCheckerErrorType PSEUDO_NO_GROUP
      Error type represents that atom with pseudo property had found in the molecule
    • QUERY_ATOM

      public static final StructureCheckerErrorType QUERY_ATOM
      Error type represents that atom with query properties had found in the molecule
    • QUERY_BOND

      public static final StructureCheckerErrorType QUERY_BOND
      Error type represents that bond with query properties had found in the molecule
    • RACEMATE

      public static final StructureCheckerErrorType RACEMATE
      Error type representing asymmetric atom without specific stereo configuration.
    • RADICAL

      public static final StructureCheckerErrorType RADICAL
      Error type represents that atom with radical had found in the molecule
    • RARE_ELEMENT

      public static final StructureCheckerErrorType RARE_ELEMENT
      Error type represents that rare element had found in the molecule
    • RATOM

      public static final StructureCheckerErrorType RATOM
      Error type representing that the molecule contains R-atom.
    • REACTING_CENTER_BOND_MARK

      public static final StructureCheckerErrorType REACTING_CENTER_BOND_MARK
      Error type represents that molecule contains reacting center bond marks.
    • RELATIVE_STEREO

      public static final StructureCheckerErrorType RELATIVE_STEREO
      Error type represents that molecules having multiple stereogenic center groups
    • RGROUP_ATTACHMENT_ERROR

      public static final StructureCheckerErrorType RGROUP_ATTACHMENT_ERROR
      Error type representing invalid attachments in R-group definitions.
    • RGROUP_BRIDGE_RATOM

      public static final StructureCheckerErrorType RGROUP_BRIDGE_RATOM
      Error type representing invalid R-atoms corresponding to R-group bridge definitions.
    • SMALL_RING

      public static final StructureCheckerErrorType SMALL_RING
      Error type represents that small ring error had found in the molecule
    • SOLVENT

      public static final StructureCheckerErrorType SOLVENT
      Error type represents that solvent had found in the molecule
    • SOLVENT_AMBIGOUS

      public static final StructureCheckerErrorType SOLVENT_AMBIGOUS
      Error type represents that more than one type of solvents had found in the molecule
    • STAR

      public static final StructureCheckerErrorType STAR
      Error type represents that star atom had found in the molecule
    • STEREO_CARE_BOX

      public static final StructureCheckerErrorType STEREO_CARE_BOX
      Error type representing stereo search markers in the molecule
    • STEREO_INVERSION_RETENTION_MARK

      public static final StructureCheckerErrorType STEREO_INVERSION_RETENTION_MARK
      Error type representing stereo inversion/retention marks in the molecule/reaction
    • STRAIGHT_DOUBLE_BOND

      public static final StructureCheckerErrorType STRAIGHT_DOUBLE_BOND
      Error type represents molecules containing "either" double bonds.
    • SUBSTRUCTURE

      public static final StructureCheckerErrorType SUBSTRUCTURE
      Error type represents that the needed substructure had found
    • SUBSTRUCTURE_NOFIX

      public static final StructureCheckerErrorType SUBSTRUCTURE_NOFIX
      Error type represents that the needed substructure had found but no data will be available for the fix in the result
    • THREE_DIM

      public static final StructureCheckerErrorType THREE_DIM
      Error type represents that 3d coordinates had found in the molecule
    • UNBALANCED_REACTION

      public static final StructureCheckerErrorType UNBALANCED_REACTION
      Error type representing reactions scheme having more atoms on one side of the reaction arrow than on the other.
    • UNUSED_RGROUP

      public static final StructureCheckerErrorType UNUSED_RGROUP
      Error type represents that molecule with unused R-group definition found
    • VALENCE

      public static final StructureCheckerErrorType VALENCE
      Error type represents that valence error had found in the molecule
    • VALENCE_PROPERTY

      public static final StructureCheckerErrorType VALENCE_PROPERTY
      Error type representing that an atom has a valence property set.
    • WIGGLY

      public static final StructureCheckerErrorType WIGGLY
      Error type represents that wiggly bond had found in the molecule
    • WIGGLY_BOND_TETRAHEDRAL

      public static final StructureCheckerErrorType WIGGLY_BOND_TETRAHEDRAL
      Error type represents molecules having wiggly bonds on tetrahedral stereo centers
  • Method Details

    • values

      public static StructureCheckerErrorType[] values()
      Returns an array containing the constants of this enum class, in the order they are declared.
      Returns:
      an array containing the constants of this enum class, in the order they are declared
    • valueOf

      public static StructureCheckerErrorType valueOf(String name)
      Returns the enum constant of this class with the specified name. The string must match exactly an identifier used to declare an enum constant in this class. (Extraneous whitespace characters are not permitted.)
      Parameters:
      name - the name of the enum constant to be returned.
      Returns:
      the enum constant with the specified name
      Throws:
      IllegalArgumentException - if this enum class has no constant with the specified name
      NullPointerException - if the argument is null