Package org.biojava.nbio.structure
Enum Element
- java.lang.Object
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- java.lang.Enum<Element>
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- org.biojava.nbio.structure.Element
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- All Implemented Interfaces:
Serializable
,Comparable<Element>
public enum Element extends Enum<Element>
Element is an enumeration of the elements of the periodic table. In addition, several attributes of each element are accessible. Note: Deuterium and Tritium are treated as separate elements D and T, respectively. Sometimes part of a molecule is represented as an R-group, which is represented as the element R.- Since:
- 3.0
- Version:
- %I% %G%
- Author:
- Peter Rose
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Enum Constant Summary
Enum Constants Enum Constant Description Ac
Ag
Al
Am
Ar
As
At
Au
B
Ba
Be
Bi
Bk
Br
C
Ca
Cd
Ce
Cf
Cl
Cm
Co
Cr
Cs
Cu
D
DeuteriumDy
Er
Es
Eu
F
Fe
Fm
Fr
Ga
Gd
Ge
H
He
Hf
Hg
Ho
I
In
Ir
K
Kr
La
Li
Lr
Lu
Md
Mg
Mn
Mo
N
Na
Nb
Nd
Ne
Ni
No
Np
O
Os
P
Pa
Pb
Pd
Pm
Po
Pr
Pt
Pu
R
R-group to represent generic groups that are sometimes present in MDL .sdf files.Ra
Rb
Re
Rh
Rn
Ru
S
Sb
Sc
Se
Si
Sm
Sn
Sr
T
TritiumTa
Tb
Tc
Te
Th
Ti
Tl
Tm
U
V
W
Xe
Y
Yb
Zn
Zr
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description int[]
getAllOxidationStates()
Returns a list of all oxidation states the element is found in.float
getAtomicMass()
Returns the atomic mass for this Element.int
getAtomicNumber()
Returns the atomic number of this Element.int
getCommonValence()
Returns the common valence for this Element.int
getCoreElectronCount()
Returns the number of core electrons for this Element.float
getCovalentRadius()
Returns the covalent radius of this Element.static Element
getElementFromHillIndex(int index)
Returns the Element that corresponds to the specified Hill Order.ElementType
getElementType()
Returns the Element Type for this Element.int
getHillOrder()
Returns the Hill Order of this Element.int
getMaximumCovalentValence()
Returns the maximum valence for this Element.int
getMaximumValence()
Returns the maximum valence for this Element.int
getMinimumValence()
Returns the minimum valence for this Element.int
getOxidationState()
Returns a typical oxidation state for this Element.float
getPaulingElectronegativity()
Returns the Pauling electronegativity for this Element.int
getPeriod()
Returns the period in the periodic table of this Element.int
getValenceElectronCount()
Returns the number of valence electrons for this Element.float
getVDWRadius()
Returns the van der Waals radius of this Element.boolean
isChalcogen()
Returnstrue
if Element is a chalcogen (O, S, Se, Te, Po).boolean
isHalogen()
Returnstrue
if Element is a halogen (F, Cl, Br, I, At).boolean
isHeavyAtom()
Returnstrue
is the Element is an not Hydrogen (or an isotope of Hydrogen).boolean
isHeteroAtom()
Returnstrue
if Element is not Hydrogen and not Carbon.boolean
isHydrogen()
Returnstrue
if this Element is Hydrogen.boolean
isMetal()
Returnstrue
if ElementType is a metal.boolean
isMetalloid()
Returnstrue
if ElementType is a metalloid.boolean
isNonMetal()
Returnstrue
if ElementType is a non-metal.static Element
valueOf(String name)
Returns the enum constant of this type with the specified name.static Element
valueOfIgnoreCase(String elementSymbol)
Returns the Element that corresponds to the specified element symbol.static Element[]
values()
Returns an array containing the constants of this enum type, in the order they are declared.
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Method Detail
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values
public static Element[] 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 (Element c : Element.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 Element 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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getAllOxidationStates
public int[] getAllOxidationStates()
Returns a list of all oxidation states the element is found in. The set is by Greenwood and Norman in "Chemistry of the Elements (ISBN:0080379419).- Returns:
- An array of oxidation states sorted from most negative to most positive.
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getAtomicNumber
public int getAtomicNumber()
Returns the atomic number of this Element.- Returns:
- the atomic number of this Element.
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getPeriod
public int getPeriod()
Returns the period in the periodic table of this Element.- Returns:
- the period in the periodic table of this Element.
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getHillOrder
public int getHillOrder()
Returns the Hill Order of this Element. The Hill Order represents the priority by which elements are sorted in molecular formulas. The Hill system is a system of writing chemical formulas such that the number of carbon atoms in a molecule is indicated first, the number of hydrogen atoms next, and then the number of all other chemical elements subsequently, in alphabetical order. When the formula contains no carbon, all the elements, including hydrogen, are listed alphabetically.Edwin A. Hill, "On A System Of Indexing Chemical Literature; Adopted By The Classification Division Of The U. S. Patent Office". J. Am. Chem. Soc. 1900, 22(8), 478-494.
- Returns:
- the Hill Order of this Element.
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getVDWRadius
public float getVDWRadius()
Returns the van der Waals radius of this Element.- Returns:
- the van der Waals radius of this Element, measured in Angstroms.
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getCovalentRadius
public float getCovalentRadius()
Returns the covalent radius of this Element.- Returns:
- covalent radius, measured in Angstroms.
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getValenceElectronCount
public int getValenceElectronCount()
Returns the number of valence electrons for this Element.- Returns:
- the number of valence electrons for this Element.
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getMinimumValence
public int getMinimumValence()
Returns the minimum valence for this Element.- Returns:
- the minimum valence of this atom.
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getMaximumValence
public int getMaximumValence()
Returns the maximum valence for this Element.- Returns:
- the maximum valence for this Element.
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getCommonValence
public int getCommonValence()
Returns the common valence for this Element.- Returns:
- the common valence for this Element.
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getMaximumCovalentValence
public int getMaximumCovalentValence()
Returns the maximum valence for this Element.- Returns:
- the maximum valence of this element.
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getAtomicMass
public float getAtomicMass()
Returns the atomic mass for this Element.- Returns:
- the atomic mass for this Element, measured in g/mol.
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getCoreElectronCount
public int getCoreElectronCount()
Returns the number of core electrons for this Element.- Returns:
- number of core electrons for this Element.
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getOxidationState
public int getOxidationState()
Returns a typical oxidation state for this Element. This information is mostly useful for metals.- Returns:
- a typical oxidation state for this Element.
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getPaulingElectronegativity
public float getPaulingElectronegativity()
Returns the Pauling electronegativity for this Element.- Returns:
- the Pauling electronegativity for this Element.
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getElementType
public ElementType getElementType()
Returns the Element Type for this Element.- Returns:
- the Element Type for this Element.
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valueOfIgnoreCase
public static Element valueOfIgnoreCase(String elementSymbol) throws IllegalArgumentException
Returns the Element that corresponds to the specified element symbol. The case of the element symbol is ignored. Example: FE, fe, Fe represent iron.- Parameters:
elementSymbol
- element symbol to specify Element.- Returns:
- the Element specified by the element symbol.
- Throws:
IllegalArgumentException
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isHydrogen
public boolean isHydrogen()
Returnstrue
if this Element is Hydrogen.Note: Deuterium (
D
) and Tritium (T
) will returntrue
to this method.- Returns:
true
if the Element is Hydrogen.
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isHeavyAtom
public boolean isHeavyAtom()
Returnstrue
is the Element is an not Hydrogen (or an isotope of Hydrogen).This method is the exact opposite of
isHydrogen()
.- Returns:
true
is Element is not Hydrogen.
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isHeteroAtom
public boolean isHeteroAtom()
Returnstrue
if Element is not Hydrogen and not Carbon.- Returns:
true
if Element is not Hydrogen and not Carbon.
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isMetal
public boolean isMetal()
Returnstrue
if ElementType is a metal.- Returns:
true
if ElementType is a metal.
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isMetalloid
public boolean isMetalloid()
Returnstrue
if ElementType is a metalloid.- Returns:
true
if ElementType is a metalloid.
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isNonMetal
public boolean isNonMetal()
Returnstrue
if ElementType is a non-metal.- Returns:
true
if ElementType is a non-metal.
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isHalogen
public boolean isHalogen()
Returnstrue
if Element is a halogen (F, Cl, Br, I, At).- Returns:
true
if Element is a halogen.
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isChalcogen
public boolean isChalcogen()
Returnstrue
if Element is a chalcogen (O, S, Se, Te, Po).- Returns:
true
if Element is a chalcogen.
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getElementFromHillIndex
public static Element getElementFromHillIndex(int index)
Returns the Element that corresponds to the specified Hill Order.- Parameters:
index
- the Hill Order.- Returns:
- the Element that corresponds to the specified Hill Order.
- See Also:
getHillOrder()
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