Package chemaxon.struc

Enum Class BondType

java.lang.Object
java.lang.Enum<BondType>
chemaxon.struc.BondType
All Implemented Interfaces:
Serializable, Comparable<BondType>, java.lang.constant.Constable
@PublicApi public enum BondType extends Enum<BondType>
General chemical bond types.
Since:
5.10

  • Enum Constant Details

    • ANY

      public static final BondType ANY
      Any bond type.

    • SINGLE

      public static final BondType SINGLE
      Single bond type.

    • DOUBLE

      public static final BondType DOUBLE
      Double bond type.

    • TRIPLE

      public static final BondType TRIPLE
      Triple bond type.

    • AROMATIC

      public static final BondType AROMATIC
      Aromatic bond type.

    • SINGLE_OR_DOUBLE

      public static final BondType SINGLE_OR_DOUBLE
      Single or double query bond type.

    • SINGLE_OR_AROMATIC

      public static final BondType SINGLE_OR_AROMATIC
      Single or aromatic query bond type.

    • DOUBLE_OR_AROMATIC

      public static final BondType DOUBLE_OR_AROMATIC
      Double or aromatic query bond type.

    • CONJUGATED

      public static final BondType CONJUGATED
      Conjugation state of the bond.

    • COORDINATE

      public static final BondType COORDINATE
      Coordinate bond.

    • HYDROGEN

      public static final BondType HYDROGEN
      Hydrogen bond type.

    • NO_BOND

      public static final BondType NO_BOND
      No bond type.

  • Method Details

    • values

      public static BondType[] 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 BondType 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

    • getBasicElectronCount

      public final int getBasicElectronCount()
      Returns the electron count given by an atom at the end of bond into the bond if it can be determined unambiguously, otherwise returns 0.
      Returns:
      number of electrons given into the bond by the bonded atom for single, double and triple bonds, 0 otherwise

    • isNonAromaticCovalentBond

      public final boolean isNonAromaticCovalentBond()
      Determines whether this bond is a non-aromatic covalent bond.
      Returns:
      true for SINGLE, DOUBLE and TRIPLE, false otherwise

    • isQueryBond

      public final boolean isQueryBond()
      Determines whether this bond is a query bond.
      Returns:
      true for ANY, SINGLE_OR_DOUBLE, SINGLE_OR_AROMATIC and DOUBLE_OR_AROMATIC, false otherwise

    • createBondType

      @Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2025) public static BondType createBondType(int t)
      Deprecated, for removal: This API element is subject to removal in a future version.
      since 2014.06.04. use convertToBondType(int) instead.
      Creates BondType from the given number. 1 = BondType.SINGLE 2 = BondType.DOUBLE 3 = BondType.TRIPLE Anything else = BondType.ANY
      Since:
      Marvin 6.0, 2013.02.22.

    • convertToBondType

      public static BondType convertToBondType(int molBondConstant) throws IllegalArgumentException
      Creates BondType from the given number. The valid values are 1,2,3 and the bond type constants in MolBond
      Parameters:
      molBondConstant - the integer to convert
      Returns:
      the appropriate bondType
      Throws:
      IllegalArgumentException - if there is no valid BondType for the given number.
      Since:
      2014.06.04.