public enum BasicAtomEncoder extends Enum<BasicAtomEncoder> implements AtomEncoder
ConjugatedAtomEncoder
,
Prime numbers
archiveEnum Constant and Description |
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ATOMIC_NUMBER
Encode the atomic number of an atom.
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BOND_ORDER_SUM
Encode the explicit bond order sum of an atom.
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FORMAL_CHARGE
Encode the formal charge of an atom, allowing distinction of different
protonation states.
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FREE_RADICALS
Encode the orbital hybridization of an atom.
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MASS_NUMBER
Encode the mass number of an atom, allowing distinction of isotopes.
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N_CONNECTED_ATOMS
Encode the number of explicitly connected atoms (degree).
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ORBITAL_HYBRIDIZATION
Encode the orbital hybridization of an atom.
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Modifier and Type | Method and Description |
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static BasicAtomEncoder |
valueOf(String name)
Returns the enum constant of this type with the specified name.
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static BasicAtomEncoder[] |
values()
Returns an array containing the constants of this enum type, in
the order they are declared.
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clone, compareTo, equals, finalize, getDeclaringClass, hashCode, name, ordinal, toString, valueOf
encode
public static final BasicAtomEncoder ATOMIC_NUMBER
IElement.getAtomicNumber()
public static final BasicAtomEncoder MASS_NUMBER
IIsotope.getMassNumber()
public static final BasicAtomEncoder FORMAL_CHARGE
IAtomType.getFormalCharge()
public static final BasicAtomEncoder N_CONNECTED_ATOMS
public static final BasicAtomEncoder BOND_ORDER_SUM
IAtomContainer.getBondOrderSum(IAtom)
public static final BasicAtomEncoder ORBITAL_HYBRIDIZATION
IAtomType.getHybridization()
public static final BasicAtomEncoder FREE_RADICALS
public static BasicAtomEncoder[] values()
for (BasicAtomEncoder c : BasicAtomEncoder.values()) System.out.println(c);
public static BasicAtomEncoder 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.