Package chemaxon.struc
Enum Class BondType
- All Implemented Interfaces:
Serializable
,Comparable<BondType>
,java.lang.constant.Constable
General chemical bond types.
- Since:
- 5.10
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Nested Class Summary
Nested classes/interfaces inherited from class java.lang.Enum
Enum.EnumDesc<E extends Enum<E>>
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Enum Constant Summary
Enum ConstantDescriptionAny bond type.Aromatic bond type.Conjugation state of the bond.Coordinate bond.Double bond type.Double or aromatic query bond type.Hydrogen bond type.No bond type.Single bond type.Single or aromatic query bond type.Single or double query bond type.Triple bond type. -
Method Summary
Modifier and TypeMethodDescriptionstatic BondType
convertToBondType
(int molBondConstant) Creates BondType from the given number.static BondType
createBondType
(int t) Deprecated, for removal: This API element is subject to removal in a future version.since 2014.06.04.final int
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.final boolean
Determines whether this bond is a non-aromatic covalent bond.final boolean
Determines whether this bond is a query bond.static BondType
Returns the enum constant of this class with the specified name.static BondType[]
values()
Returns an array containing the constants of this enum class, in the order they are declared.
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Enum Constant Details
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ANY
Any bond type. -
SINGLE
Single bond type. -
DOUBLE
Double bond type. -
TRIPLE
Triple bond type. -
AROMATIC
Aromatic bond type. -
SINGLE_OR_DOUBLE
Single or double query bond type. -
SINGLE_OR_AROMATIC
Single or aromatic query bond type. -
DOUBLE_OR_AROMATIC
Double or aromatic query bond type. -
CONJUGATED
Conjugation state of the bond. -
COORDINATE
Coordinate bond. -
HYDROGEN
Hydrogen bond type. -
NO_BOND
No bond type.
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Method Details
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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
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valueOf
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 nameNullPointerException
- if the argument is null
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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
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isNonAromaticCovalentBond
public final boolean isNonAromaticCovalentBond()Determines whether this bond is a non-aromatic covalent bond.- Returns:
- true for SINGLE, DOUBLE and TRIPLE, false otherwise
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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
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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. useconvertToBondType(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.
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convertToBondType
Creates BondType from the given number. The valid values are 1,2,3 and the bond type constants inMolBond
- 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.
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