Expr.Type (cdk 2.7.1 API)

java.lang.Object
- java.lang.Enum<Expr.Type>
- - org.openscience.cdk.isomorphism.matchers.Expr.Type

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 the Expr tree object.

Enum Constant Summary

Enum Constants
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'.

Method Summary

All Methods Static Methods Concrete Methods
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.

Methods inherited from class java.lang.Enum
clone, compareTo, equals, finalize, getDeclaringClass, hashCode, name, ordinal, toString, valueOf

Methods inherited from class java.lang.Object
getClass, notify, notifyAll, wait, wait, wait

- Enum Constant Detail
  - TRUE
```
public static final Expr.Type TRUE
```
    Always returns true.
  - FALSE
```
public static final Expr.Type FALSE
```
    Always returns false.
  - IS_AROMATIC
```
public static final Expr.Type IS_AROMATIC
```
    Return true if IAtom.isAromatic() or IBond.isAromatic() is true.
  - IS_ALIPHATIC
```
public static final Expr.Type IS_ALIPHATIC
```
    Return true if IAtom.isAromatic() or IBond.isAromatic() is flase.
  - IS_IN_RING
```
public static final Expr.Type IS_IN_RING
```
    Return true if IAtom.isInRing() or IBond.isInRing() is true.
  - IS_IN_CHAIN
```
public static final Expr.Type IS_IN_CHAIN
```
    Return true if IAtom.isInRing() or IBond.isInRing() is false.
  - IS_HETERO
```
public static final Expr.Type IS_HETERO
```
    Return true if IElement.getAtomicNumber() is neither 6 (carbon) nor 1 (hydrogen).
  - IS_ALIPHATIC_HETERO
```
public static final Expr.Type IS_ALIPHATIC_HETERO
```
    Return true if IElement.getAtomicNumber() is neither 6 (carbon) nor 1 (hydrogen) and the atom is aliphatic.
  - HAS_IMPLICIT_HYDROGEN
```
public static final Expr.Type HAS_IMPLICIT_HYDROGEN
```
    True if the hydrogen count (IAtom.getImplicitHydrogenCount()) is > 0.
  - HAS_ISOTOPE
```
public static final Expr.Type HAS_ISOTOPE
```
    True if the atom mass (IIsotope.getMassNumber()) is non-null.
  - HAS_UNSPEC_ISOTOPE
```
public static final Expr.Type HAS_UNSPEC_ISOTOPE
```
    True if the atom mass (IIsotope.getMassNumber()) is null (unspecified).
  - HAS_HETERO_SUBSTITUENT
```
public static final Expr.Type HAS_HETERO_SUBSTITUENT
```
    True if the atom is adjacent to a hetero atom.
  - HAS_ALIPHATIC_HETERO_SUBSTITUENT
```
public static final Expr.Type HAS_ALIPHATIC_HETERO_SUBSTITUENT
```
    True if the atom is adjacent to an aliphatic hetero atom.
  - 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.
  - SINGLE_OR_DOUBLE
```
public static final Expr.Type SINGLE_OR_DOUBLE
```
    True if the bond order (IBond.getOrder()) is single or double.
  - 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()).
  - 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()).
  - ELEMENT
```
public static final Expr.Type ELEMENT
```
    True if the atomic number (IElement.getAtomicNumber() ()}) of an atom equals the specified 'value'.
  - ALIPHATIC_ELEMENT
```
public static final Expr.Type ALIPHATIC_ELEMENT
```
    True if the atomic number (IElement.getAtomicNumber() ()}) of an atom equals the specified 'value' and IAtom.isAromatic() is false.
  - AROMATIC_ELEMENT
```
public static final Expr.Type AROMATIC_ELEMENT
```
    True if the atomic number (IElement.getAtomicNumber() ()}) of an atom equals the specified 'value' and IAtom.isAromatic() is true.
  - 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'.
  - TOTAL_H_COUNT
```
public static final Expr.Type TOTAL_H_COUNT
```
    True if the total hydrogen count of an atom equals the specified 'value'.
  - DEGREE
```
public static final Expr.Type DEGREE
```
    True if the degree (IAtom.getBondCount()) of an atom equals the specified 'value'.
  - 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'.
  - HEAVY_DEGREE
```
public static final Expr.Type HEAVY_DEGREE
```
    True if the degree (IAtom.getBondCount()) - any hydrogen atoms x* equals the specified 'value'.
  - VALENCE
```
public static final Expr.Type VALENCE
```
    True if the valence of an atom equals the specified 'value'.
  - ISOTOPE
```
public static final Expr.Type ISOTOPE
```
    True if the mass (IIsotope.getMassNumber()) of an atom equals the specified 'value'.
  - FORMAL_CHARGE
```
public static final Expr.Type FORMAL_CHARGE
```
    True if the formal charge (IAtomType.getFormalCharge()) of an atom equals the specified 'value'.
  - RING_BOND_COUNT
```
public static final Expr.Type RING_BOND_COUNT
```
    True if the ring bond count of an atom equals the specified 'value'.
  - 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.
  - RING_SMALLEST
```
public static final Expr.Type RING_SMALLEST
```
    True if the smallest ring this atom belongs to equals the specified 'value'
  - RING_SIZE
```
public static final Expr.Type RING_SIZE
```
    True if the this atom belongs to a ring equal to the specified 'value'
  - 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.
  - HETERO_SUBSTITUENT_COUNT
```
public static final Expr.Type HETERO_SUBSTITUENT_COUNT
```
    True if the number hetero atoms (see IS_HETERO) this atom is next to is equal to the specified value.
  - ALIPHATIC_HETERO_SUBSTITUENT_COUNT
```
public static final Expr.Type 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.
  - 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'.
  - 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.
  - REACTION_ROLE
```
public static final Expr.Type REACTION_ROLE
```
    True if an atom has the specified reaction role.
  - 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.
  - ALIPHATIC_ORDER
```
public static final Expr.Type ALIPHATIC_ORDER
```
    True if the bond order IBond.getOrder() equals the specified value and the bond is not marked as aromatic (IAtom.isAromatic()).
  - ORDER
```
public static final Expr.Type ORDER
```
    True if the bond order IBond.getOrder() equals the specified value and the bond, aromaticity is not check.
  - AND
```
public static final Expr.Type AND
```
    True if both the subexpressions are true.
  - OR
```
public static final Expr.Type OR
```
    True if both either subexpressions are true.
  - NOT
```
public static final Expr.Type NOT
```
    True if the subexpression is not true.
  - RECURSIVE
```
public static final Expr.Type RECURSIVE
```
    Recursive query.
  - NONE
```
public static final Expr.Type NONE
```
    Undefined expression type.
- Method Detail
  - 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
  - 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 name
    
    NullPointerException - if the argument is null

Enum Expr.Type

Enum Constant Summary

Method Summary

Methods inherited from class java.lang.Enum

Methods inherited from class java.lang.Object

Enum Constant Detail

TRUE

FALSE

IS_AROMATIC

IS_ALIPHATIC

IS_IN_RING

IS_IN_CHAIN

IS_HETERO

IS_ALIPHATIC_HETERO

HAS_IMPLICIT_HYDROGEN

HAS_ISOTOPE

HAS_UNSPEC_ISOTOPE

HAS_HETERO_SUBSTITUENT

HAS_ALIPHATIC_HETERO_SUBSTITUENT

UNSATURATED

SINGLE_OR_DOUBLE

SINGLE_OR_AROMATIC

DOUBLE_OR_AROMATIC

ELEMENT

ALIPHATIC_ELEMENT

AROMATIC_ELEMENT

IMPL_H_COUNT

TOTAL_H_COUNT

DEGREE

TOTAL_DEGREE

HEAVY_DEGREE

VALENCE

ISOTOPE

FORMAL_CHARGE

RING_BOND_COUNT

RING_COUNT

RING_SMALLEST

RING_SIZE

HYBRIDISATION_NUMBER

HETERO_SUBSTITUENT_COUNT

ALIPHATIC_HETERO_SUBSTITUENT_COUNT

PERIODIC_GROUP

INSATURATION

REACTION_ROLE

STEREOCHEMISTRY

ALIPHATIC_ORDER

ORDER

AND

OR

NOT

RECURSIVE

NONE

Method Detail

values

valueOf