Enum Expr.Type
- java.lang.Object
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- java.lang.Enum<Expr.Type>
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- org.openscience.cdk.isomorphism.matchers.Expr.Type
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- All Implemented Interfaces:
Serializable
,Comparable<Expr.Type>
- Enclosing class:
- Expr
public static enum Expr.Type extends Enum<Expr.Type>
Types of expression, for use in theExpr
tree object.
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Enum Constant Summary
Enum Constants Enum Constant Description ALIPHATIC_ELEMENT
True if the atomic number (IElement.getAtomicNumber()
()}) of an atom equals the specified 'value' andIAtom.isAromatic()
is false.ALIPHATIC_HETERO_SUBSTITUENT_COUNT
True if the number hetero atoms (seeIS_ALIPHATIC_HETERO
) this atom is next to is equal to the specified value.ALIPHATIC_ORDER
True if the bond orderIBond.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' andIAtom.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 (seeIS_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 ifIAtom.isAromatic()
orIBond.isAromatic()
is flase.IS_ALIPHATIC_HETERO
Return true ifIElement.getAtomicNumber()
is neither 6 (carbon) nor 1 (hydrogen) and the atom is aliphatic.IS_AROMATIC
Return true ifIAtom.isAromatic()
orIBond.isAromatic()
is true.IS_HETERO
Return true ifIElement.getAtomicNumber()
is neither 6 (carbon) nor 1 (hydrogen).IS_IN_CHAIN
Return true ifIAtom.isInRing()
orIBond.isInRing()
is false.IS_IN_RING
Return true ifIAtom.isInRing()
orIBond.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 orderIBond.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'.
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method 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.
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Enum Constant Detail
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TRUE
public static final Expr.Type TRUE
Always returns true.
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FALSE
public static final Expr.Type FALSE
Always returns false.
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IS_AROMATIC
public static final Expr.Type IS_AROMATIC
Return true ifIAtom.isAromatic()
orIBond.isAromatic()
is true.
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IS_ALIPHATIC
public static final Expr.Type IS_ALIPHATIC
Return true ifIAtom.isAromatic()
orIBond.isAromatic()
is flase.
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IS_IN_RING
public static final Expr.Type IS_IN_RING
Return true ifIAtom.isInRing()
orIBond.isInRing()
is true.
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IS_IN_CHAIN
public static final Expr.Type IS_IN_CHAIN
Return true ifIAtom.isInRing()
orIBond.isInRing()
is false.
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IS_HETERO
public static final Expr.Type IS_HETERO
Return true ifIElement.getAtomicNumber()
is neither 6 (carbon) nor 1 (hydrogen).
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IS_ALIPHATIC_HETERO
public static final Expr.Type IS_ALIPHATIC_HETERO
Return true ifIElement.getAtomicNumber()
is neither 6 (carbon) nor 1 (hydrogen) and the atom is aliphatic.
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HAS_IMPLICIT_HYDROGEN
public static final Expr.Type HAS_IMPLICIT_HYDROGEN
True if the hydrogen count (IAtom.getImplicitHydrogenCount()
) is > 0.
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HAS_ISOTOPE
public static final Expr.Type HAS_ISOTOPE
True if the atom mass (IIsotope.getMassNumber()
) is non-null.
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HAS_UNSPEC_ISOTOPE
public static final Expr.Type HAS_UNSPEC_ISOTOPE
True if the atom mass (IIsotope.getMassNumber()
) is null (unspecified).
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HAS_HETERO_SUBSTITUENT
public static final Expr.Type HAS_HETERO_SUBSTITUENT
True if the atom is adjacent to a hetero atom.
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HAS_ALIPHATIC_HETERO_SUBSTITUENT
public static final Expr.Type HAS_ALIPHATIC_HETERO_SUBSTITUENT
True if the atom is adjacent to an aliphatic hetero atom.
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UNSATURATED
public static final Expr.Type UNSATURATED
True if the atom is unsaturated. TODO: check if CACTVS if double bond to non-carbons are counted.
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SINGLE_OR_DOUBLE
public static final Expr.Type SINGLE_OR_DOUBLE
True if the bond order (IBond.getOrder()
) is single or double.
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SINGLE_OR_AROMATIC
public static final Expr.Type SINGLE_OR_AROMATIC
True if the bond order (IBond.getOrder()
) is single or the bond is marked as aromatic (IBond.isAromatic()
).
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DOUBLE_OR_AROMATIC
public static final Expr.Type DOUBLE_OR_AROMATIC
True if the bond order (IBond.getOrder()
) is double or the bond is marked as aromatic (IBond.isAromatic()
).
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ELEMENT
public static final Expr.Type ELEMENT
True if the atomic number (IElement.getAtomicNumber()
()}) of an atom equals the specified 'value'.
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ALIPHATIC_ELEMENT
public static final Expr.Type ALIPHATIC_ELEMENT
True if the atomic number (IElement.getAtomicNumber()
()}) of an atom equals the specified 'value' andIAtom.isAromatic()
is false.
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AROMATIC_ELEMENT
public static final Expr.Type AROMATIC_ELEMENT
True if the atomic number (IElement.getAtomicNumber()
()}) of an atom equals the specified 'value' andIAtom.isAromatic()
is true.
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IMPL_H_COUNT
public static final Expr.Type IMPL_H_COUNT
True if the hydrogen count (IAtom.getImplicitHydrogenCount()
) of an atom equals the specified 'value'.
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TOTAL_H_COUNT
public static final Expr.Type TOTAL_H_COUNT
True if the total hydrogen count of an atom equals the specified 'value'.
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DEGREE
public static final Expr.Type DEGREE
True if the degree (IAtom.getBondCount()
) of an atom equals the specified 'value'.
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TOTAL_DEGREE
public static final Expr.Type TOTAL_DEGREE
True if the total degree (IAtom.getBondCount()
+IAtom.getImplicitHydrogenCount()
) of an atom equals the specified 'value'.
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HEAVY_DEGREE
public static final Expr.Type HEAVY_DEGREE
True if the degree (IAtom.getBondCount()
) - any hydrogen atoms x* equals the specified 'value'.
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VALENCE
public static final Expr.Type VALENCE
True if the valence of an atom equals the specified 'value'.
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ISOTOPE
public static final Expr.Type ISOTOPE
True if the mass (IIsotope.getMassNumber()
) of an atom equals the specified 'value'.
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FORMAL_CHARGE
public static final Expr.Type FORMAL_CHARGE
True if the formal charge (IAtomType.getFormalCharge()
) of an atom equals the specified 'value'.
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RING_BOND_COUNT
public static final Expr.Type RING_BOND_COUNT
True if the ring bond count of an atom equals the specified 'value'.
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RING_COUNT
public static final Expr.Type 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.
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RING_SMALLEST
public static final Expr.Type RING_SMALLEST
True if the smallest ring this atom belongs to equals the specified 'value'
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RING_SIZE
public static final Expr.Type RING_SIZE
True if the this atom belongs to a ring equal to the specified 'value'
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HYBRIDISATION_NUMBER
public static final Expr.Type 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.
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HETERO_SUBSTITUENT_COUNT
public static final Expr.Type HETERO_SUBSTITUENT_COUNT
True if the number hetero atoms (seeIS_HETERO
) this atom is next to is equal to the specified value.
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ALIPHATIC_HETERO_SUBSTITUENT_COUNT
public static final Expr.Type ALIPHATIC_HETERO_SUBSTITUENT_COUNT
True if the number hetero atoms (seeIS_ALIPHATIC_HETERO
) this atom is next to is equal to the specified value.
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PERIODIC_GROUP
public static final Expr.Type PERIODIC_GROUP
True if the periodic table group of this atom is equal to the specified value. For example halogens are Group '17'.
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INSATURATION
public static final Expr.Type INSATURATION
True if the number of double bonds equals the specified value. TODO: check if CACTVS if double bond to non-carbons are counted.
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REACTION_ROLE
public static final Expr.Type REACTION_ROLE
True if an atom has the specified reaction role.
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STEREOCHEMISTRY
public static final Expr.Type STEREOCHEMISTRY
True if an atom or bond has the specified stereochemistry value, see (IStereoElement
) for a list of values.
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ALIPHATIC_ORDER
public static final Expr.Type ALIPHATIC_ORDER
True if the bond orderIBond.getOrder()
equals the specified value and the bond is not marked as aromatic (IAtom.isAromatic()
).
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ORDER
public static final Expr.Type ORDER
True if the bond orderIBond.getOrder()
equals the specified value and the bond, aromaticity is not check.
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AND
public static final Expr.Type AND
True if both the subexpressions are true.
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OR
public static final Expr.Type OR
True if both either subexpressions are true.
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NOT
public static final Expr.Type NOT
True if the subexpression is not true.
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RECURSIVE
public static final Expr.Type RECURSIVE
Recursive query.
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NONE
public static final Expr.Type NONE
Undefined expression type.
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Method Detail
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values
public static Expr.Type[] values()
Returns an array containing the constants of this enum type, in the order they are declared. This method may be used to iterate over the constants as follows:for (Expr.Type c : Expr.Type.values()) System.out.println(c);
- Returns:
- an array containing the constants of this enum type, in the order they are declared
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valueOf
public static Expr.Type valueOf(String name)
Returns the enum constant of this type with the specified name. The string must match exactly an identifier used to declare an enum constant in this type. (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 type has no constant with the specified nameNullPointerException
- if the argument is null
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