Enum Class Expr.Type
- All Implemented Interfaces:
Serializable
,Comparable<Expr.Type>
,java.lang.constant.Constable
- Enclosing class:
- Expr
Types of expression, for use in the
Expr
tree object.-
Nested Class Summary
Nested classes/interfaces inherited from class java.lang.Enum
Enum.EnumDesc<E extends Enum<E>>
-
Enum Constant Summary
Enum ConstantsEnum ConstantDescriptionTrue if the atomic number (IElement.getAtomicNumber()
()}) of an atom equals the specified 'value' andIAtom.isAromatic()
is false.True if the number hetero atoms (seeIS_ALIPHATIC_HETERO
) this atom is next to is equal to the specified value.True if the bond orderIBond.getOrder()
equals the specified value and the bond is not marked as aromatic (IAtom.isAromatic()
).True if both the subexpressions are true.True if the atomic number (IElement.getAtomicNumber()
()}) of an atom equals the specified 'value' andIAtom.isAromatic()
is true.True if the degree (IAtom.getBondCount()
) of an atom equals the specified 'value'.True if the bond order (IBond.getOrder()
) is double or the bond is marked as aromatic (IBond.isAromatic()
).True if the atomic number (IElement.getAtomicNumber()
()}) of an atom equals the specified 'value'.Always returns false.True if the formal charge (IAtomType.getFormalCharge()
) of an atom equals the specified 'value'.True if the atom is adjacent to an aliphatic hetero atom.True if the atom is adjacent to a hetero atom.True if the hydrogen count (IAtom.getImplicitHydrogenCount()
) is > 0.True if the atom mass (IIsotope.getMassNumber()
) is non-null.True if the atom mass (IIsotope.getMassNumber()
) is null (unspecified).True if the degree (IAtom.getBondCount()
) - any hydrogen atoms x* equals the specified 'value'.True if the number hetero atoms (seeIS_HETERO
) this atom is next to is equal to the specified value.True if the this atom hybridisation (IAtomType.getHybridization()
) is equal to the specified 'value'.True if the hydrogen count (IAtom.getImplicitHydrogenCount()
) of an atom equals the specified 'value'.True if the number of double bonds equals the specified value.Return true ifIAtom.isAromatic()
orIBond.isAromatic()
is flase.Return true ifIElement.getAtomicNumber()
is neither 6 (carbon) nor 1 (hydrogen) and the atom is aliphatic.Return true ifIAtom.isAromatic()
orIBond.isAromatic()
is true.Return true ifIElement.getAtomicNumber()
is neither 6 (carbon) nor 1 (hydrogen).Return true ifIAtom.isInRing()
orIBond.isInRing()
is false.Return true ifIAtom.isInRing()
orIBond.isInRing()
is true.True if the mass (IIsotope.getMassNumber()
) of an atom equals the specified 'value'.Undefined expression type.True if the subexpression is not true.True if both either subexpressions are true.True if the bond orderIBond.getOrder()
equals the specified value and the bond, aromaticity is not check.True if the periodic table group of this atom is equal to the specified value.True if an atom has the specified reaction role.Recursive query.True if the ring bond count of an atom equals the specified 'value'.True if the number of rings this atom belongs to matches the specified 'value'.True if the this atom belongs to a ring equal to the specified 'value'True if the smallest ring this atom belongs to equals the specified 'value'True if the bond order (IBond.getOrder()
) is single or the bond is marked as aromatic (IBond.isAromatic()
).True if the bond order (IBond.getOrder()
) is single or double.True if an atom or bond has the specified stereochemistry value, see (IStereoElement
) for a list of values.True if the total degree (IAtom.getBondCount()
+IAtom.getImplicitHydrogenCount()
) of an atom equals the specified 'value'.True if the total hydrogen count of an atom equals the specified 'value'.Always returns true.True if the atom is unsaturated.True if the valence of an atom equals the specified 'value'. -
Method Summary
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Enum Constant Details
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TRUE
Always returns true. -
FALSE
Always returns false. -
IS_AROMATIC
Return true ifIAtom.isAromatic()
orIBond.isAromatic()
is true. -
IS_ALIPHATIC
Return true ifIAtom.isAromatic()
orIBond.isAromatic()
is flase. -
IS_IN_RING
Return true ifIAtom.isInRing()
orIBond.isInRing()
is true. -
IS_IN_CHAIN
Return true ifIAtom.isInRing()
orIBond.isInRing()
is false. -
IS_HETERO
Return true ifIElement.getAtomicNumber()
is neither 6 (carbon) nor 1 (hydrogen). -
IS_ALIPHATIC_HETERO
Return true ifIElement.getAtomicNumber()
is neither 6 (carbon) nor 1 (hydrogen) and the atom is aliphatic. -
HAS_IMPLICIT_HYDROGEN
True if the hydrogen count (IAtom.getImplicitHydrogenCount()
) is > 0. -
HAS_ISOTOPE
True if the atom mass (IIsotope.getMassNumber()
) is non-null. -
HAS_UNSPEC_ISOTOPE
True if the atom mass (IIsotope.getMassNumber()
) is null (unspecified). -
HAS_HETERO_SUBSTITUENT
True if the atom is adjacent to a hetero atom. -
HAS_ALIPHATIC_HETERO_SUBSTITUENT
True if the atom is adjacent to an aliphatic hetero atom. -
UNSATURATED
True if the atom is unsaturated. TODO: check if CACTVS if double bond to non-carbons are counted. -
SINGLE_OR_DOUBLE
True if the bond order (IBond.getOrder()
) is single or double. -
SINGLE_OR_AROMATIC
True if the bond order (IBond.getOrder()
) is single or the bond is marked as aromatic (IBond.isAromatic()
). -
DOUBLE_OR_AROMATIC
True if the bond order (IBond.getOrder()
) is double or the bond is marked as aromatic (IBond.isAromatic()
). -
ELEMENT
True if the atomic number (IElement.getAtomicNumber()
()}) of an atom equals the specified 'value'. -
ALIPHATIC_ELEMENT
True if the atomic number (IElement.getAtomicNumber()
()}) of an atom equals the specified 'value' andIAtom.isAromatic()
is false. -
AROMATIC_ELEMENT
True if the atomic number (IElement.getAtomicNumber()
()}) of an atom equals the specified 'value' andIAtom.isAromatic()
is true. -
IMPL_H_COUNT
True if the hydrogen count (IAtom.getImplicitHydrogenCount()
) of an atom equals the specified 'value'. -
TOTAL_H_COUNT
True if the total hydrogen count of an atom equals the specified 'value'. -
DEGREE
True if the degree (IAtom.getBondCount()
) of an atom equals the specified 'value'. -
TOTAL_DEGREE
True if the total degree (IAtom.getBondCount()
+IAtom.getImplicitHydrogenCount()
) of an atom equals the specified 'value'. -
HEAVY_DEGREE
True if the degree (IAtom.getBondCount()
) - any hydrogen atoms x* equals the specified 'value'. -
VALENCE
True if the valence of an atom equals the specified 'value'. -
ISOTOPE
True if the mass (IIsotope.getMassNumber()
) of an atom equals the specified 'value'. -
FORMAL_CHARGE
True if the formal charge (IAtomType.getFormalCharge()
) of an atom equals the specified 'value'. -
RING_BOND_COUNT
True if the ring bond count of an atom equals the specified 'value'. -
RING_COUNT
True if the number of rings this atom belongs to matches the specified 'value'. Here a ring means a member of the Minimum Cycle Basis (MCB) (aka Smallest Set of Smallest Rings). Since the MCB is non-unique the numbers often don't make sense of bicyclo systems. -
RING_SMALLEST
True if the smallest ring this atom belongs to equals the specified 'value' -
RING_SIZE
True if the this atom belongs to a ring equal to the specified 'value' -
HYBRIDISATION_NUMBER
True if the this atom hybridisation (IAtomType.getHybridization()
) is equal to the specified 'value'. SP1=1, SP2=2, SP3=3, SP3D1=4, SP3D2=5, SP3D3=6, SP3D4=7, SP3D5=8. -
HETERO_SUBSTITUENT_COUNT
True if the number hetero atoms (seeIS_HETERO
) this atom is next to is equal to the specified value. -
ALIPHATIC_HETERO_SUBSTITUENT_COUNT
True if the number hetero atoms (seeIS_ALIPHATIC_HETERO
) this atom is next to is equal to the specified value. -
PERIODIC_GROUP
True if the periodic table group of this atom is equal to the specified value. For example halogens are Group '17'. -
INSATURATION
True if the number of double bonds equals the specified value. TODO: check if CACTVS if double bond to non-carbons are counted. -
REACTION_ROLE
True if an atom has the specified reaction role. -
STEREOCHEMISTRY
True if an atom or bond has the specified stereochemistry value, see (IStereoElement
) for a list of values. -
ALIPHATIC_ORDER
True if the bond orderIBond.getOrder()
equals the specified value and the bond is not marked as aromatic (IAtom.isAromatic()
). -
ORDER
True if the bond orderIBond.getOrder()
equals the specified value and the bond, aromaticity is not check. -
AND
True if both the subexpressions are true. -
OR
True if both either subexpressions are true. -
NOT
True if the subexpression is not true. -
RECURSIVE
Recursive query. -
NONE
Undefined expression 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
-