public static enum Expr.Type extends Enum<Expr.Type>
Expr
tree object.Enum Constant and Description |
---|
ALIPHATIC_ELEMENT
True if the atomic number (
IElement.getAtomicNumber() ()})
of an atom equals the specified 'value' and IAtom.isAromatic()
is false. |
ALIPHATIC_HETERO_SUBSTITUENT_COUNT
True if the number hetero atoms (see
IS_ALIPHATIC_HETERO ) this atom is
next to is equal to the specified value. |
ALIPHATIC_ORDER
True if the bond order
IBond.getOrder() equals the specified
value and the bond is not marked as aromatic
(IAtom.isAromatic() ). |
AND
True if both the subexpressions are true.
|
AROMATIC_ELEMENT
True if the atomic number (
IElement.getAtomicNumber() ()})
of an atom equals the specified 'value' and IAtom.isAromatic()
is true. |
DEGREE
True if the degree (
IAtom.getBondCount() ) of an atom
equals the specified 'value'. |
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'. |
FALSE
Always returns false.
|
FORMAL_CHARGE
True if the formal charge (
IAtomType.getFormalCharge() ) of an atom
equals the specified 'value'. |
HAS_ALIPHATIC_HETERO_SUBSTITUENT
True if the atom is adjacent to an aliphatic hetero atom.
|
HAS_HETERO_SUBSTITUENT
True if the atom is adjacent to a hetero atom.
|
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). |
HEAVY_DEGREE
True if the degree (
IAtom.getBondCount() ) - any hydrogen atoms
x* equals the specified 'value'. |
HETERO_SUBSTITUENT_COUNT
True if the number hetero atoms (see
IS_HETERO ) this atom is
next to is equal to the specified value. |
HYBRIDISATION_NUMBER
True if the this atom hybridisation (
IAtomType.getHybridization() )
is equal to the specified 'value'. |
IMPL_H_COUNT
True if the hydrogen count (
IAtom.getImplicitHydrogenCount() )
of an atom equals the specified 'value'. |
INSATURATION
True if the number of double bonds equals the specified value.
|
IS_ALIPHATIC
Return true if
IAtom.isAromatic() or IBond.isAromatic() is
flase. |
IS_ALIPHATIC_HETERO
Return true if
IElement.getAtomicNumber() is neither 6 (carbon)
nor 1 (hydrogen) and the atom is aliphatic. |
IS_AROMATIC
Return true if
IAtom.isAromatic() or IBond.isAromatic() is
true. |
IS_HETERO
Return true if
IElement.getAtomicNumber() is neither 6 (carbon)
nor 1 (hydrogen). |
IS_IN_CHAIN
Return true if
IAtom.isInRing() or IBond.isInRing() is
false. |
IS_IN_RING
Return true if
IAtom.isInRing() or IBond.isInRing() is
true. |
ISOTOPE
True if the mass (
IIsotope.getMassNumber() ) of an atom equals the
specified 'value'. |
NONE
Undefined expression type.
|
NOT
True if the subexpression is not true.
|
OR
True if both either subexpressions are true.
|
ORDER
True if the bond order
IBond.getOrder() equals the specified
value and the bond, aromaticity is not check. |
PERIODIC_GROUP
True if the periodic table group of this atom is equal to the specified
value.
|
REACTION_ROLE
True if an atom has the specified reaction role.
|
RECURSIVE
Recursive query.
|
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'.
|
RING_SIZE
True if the this atom belongs to a ring equal to the specified
'value'
|
RING_SMALLEST
True if the smallest ring this atom belongs to equals the specified
'value'
|
SINGLE_OR_AROMATIC
True if the bond order (
IBond.getOrder() ) is single or the bond
is marked as aromatic (IBond.isAromatic() ). |
SINGLE_OR_DOUBLE
True if the bond order (
IBond.getOrder() ) is single or double. |
STEREOCHEMISTRY
True if an atom or bond has the specified stereochemistry value, see
(
IStereoElement ) for a list of
values. |
TOTAL_DEGREE
True if the total degree (
IAtom.getBondCount() +
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'.
|
TRUE
Always returns true.
|
UNSATURATED
True if the atom is unsaturated.
|
VALENCE
True if the valence of an atom equals the specified 'value'.
|
Modifier and Type | Method and Description |
---|---|
static Expr.Type |
valueOf(String name)
Returns the enum constant of this type with the specified name.
|
static Expr.Type[] |
values()
Returns an array containing the constants of this enum type, in
the order they are declared.
|
public static final Expr.Type TRUE
public static final Expr.Type FALSE
public static final Expr.Type IS_AROMATIC
IAtom.isAromatic()
or IBond.isAromatic()
is
true.public static final Expr.Type IS_ALIPHATIC
IAtom.isAromatic()
or IBond.isAromatic()
is
flase.public static final Expr.Type IS_IN_RING
IAtom.isInRing()
or IBond.isInRing()
is
true.public static final Expr.Type IS_IN_CHAIN
IAtom.isInRing()
or IBond.isInRing()
is
false.public static final Expr.Type IS_HETERO
IElement.getAtomicNumber()
is neither 6 (carbon)
nor 1 (hydrogen).public static final Expr.Type IS_ALIPHATIC_HETERO
IElement.getAtomicNumber()
is neither 6 (carbon)
nor 1 (hydrogen) and the atom is aliphatic.public static final Expr.Type HAS_IMPLICIT_HYDROGEN
IAtom.getImplicitHydrogenCount()
)
is > 0.public static final Expr.Type HAS_ISOTOPE
IIsotope.getMassNumber()
) is non-null.public static final Expr.Type HAS_UNSPEC_ISOTOPE
IIsotope.getMassNumber()
) is null
(unspecified).public static final Expr.Type HAS_HETERO_SUBSTITUENT
public static final Expr.Type HAS_ALIPHATIC_HETERO_SUBSTITUENT
public static final Expr.Type UNSATURATED
public static final Expr.Type SINGLE_OR_DOUBLE
IBond.getOrder()
) is single or double.public static final Expr.Type SINGLE_OR_AROMATIC
IBond.getOrder()
) is single or the bond
is marked as aromatic (IBond.isAromatic()
).public static final Expr.Type DOUBLE_OR_AROMATIC
IBond.getOrder()
) is double or the bond
is marked as aromatic (IBond.isAromatic()
).public static final Expr.Type ELEMENT
IElement.getAtomicNumber()
()})
of an atom equals the specified 'value'.public static final Expr.Type ALIPHATIC_ELEMENT
IElement.getAtomicNumber()
()})
of an atom equals the specified 'value' and IAtom.isAromatic()
is false.public static final Expr.Type AROMATIC_ELEMENT
IElement.getAtomicNumber()
()})
of an atom equals the specified 'value' and IAtom.isAromatic()
is true.public static final Expr.Type IMPL_H_COUNT
IAtom.getImplicitHydrogenCount()
)
of an atom equals the specified 'value'.public static final Expr.Type TOTAL_H_COUNT
public static final Expr.Type DEGREE
IAtom.getBondCount()
) of an atom
equals the specified 'value'.public static final Expr.Type TOTAL_DEGREE
IAtom.getBondCount()
+
IAtom.getImplicitHydrogenCount()
) of an atom equals the
specified 'value'.public static final Expr.Type HEAVY_DEGREE
IAtom.getBondCount()
) - any hydrogen atoms
x* equals the specified 'value'.public static final Expr.Type VALENCE
public static final Expr.Type ISOTOPE
IIsotope.getMassNumber()
) of an atom equals the
specified 'value'.public static final Expr.Type FORMAL_CHARGE
IAtomType.getFormalCharge()
) of an atom
equals the specified 'value'.public static final Expr.Type RING_BOND_COUNT
public static final Expr.Type RING_COUNT
public static final Expr.Type RING_SMALLEST
public static final Expr.Type RING_SIZE
public static final Expr.Type HYBRIDISATION_NUMBER
IAtomType.getHybridization()
)
is equal to the specified 'value'. SP1=1, SP2=2, SP3=3, SP3D1=4,
SP3D2=5, SP3D3=6, SP3D4=7, SP3D5=8.public static final Expr.Type HETERO_SUBSTITUENT_COUNT
IS_HETERO
) this atom is
next to is equal to the specified value.public static final Expr.Type ALIPHATIC_HETERO_SUBSTITUENT_COUNT
IS_ALIPHATIC_HETERO
) this atom is
next to is equal to the specified value.public static final Expr.Type PERIODIC_GROUP
public static final Expr.Type INSATURATION
public static final Expr.Type REACTION_ROLE
public static final Expr.Type STEREOCHEMISTRY
IStereoElement
) for a list of
values.public static final Expr.Type ALIPHATIC_ORDER
IBond.getOrder()
equals the specified
value and the bond is not marked as aromatic
(IAtom.isAromatic()
).public static final Expr.Type ORDER
IBond.getOrder()
equals the specified
value and the bond, aromaticity is not check.public static final Expr.Type AND
public static final Expr.Type OR
public static final Expr.Type NOT
public static final Expr.Type RECURSIVE
public static final Expr.Type NONE
public static Expr.Type[] values()
for (Expr.Type c : Expr.Type.values()) System.out.println(c);
public static Expr.Type valueOf(String name)
name
- the name of the enum constant to be returned.IllegalArgumentException
- if this enum type has no constant with the specified nameNullPointerException
- if the argument is nullCopyright © 2021. All rights reserved.