public class Elements
extends java.lang.Object
Modifier and Type | Field and Description |
---|---|
static int |
altElementMax
length of the altElementSymbols, altElementNames, altElementNumbers arrays
|
private static java.lang.String[] |
altElementNames |
private static short[] |
altElementNumbers |
private static java.lang.String[] |
altElementSymbols |
private static short[] |
anionLookupTable |
static float[] |
atomicMass |
private static java.util.BitSet |
bsAnions |
private static java.util.BitSet |
bsCations |
private static short[] |
cationLookupTable |
static short[] |
covalentMars
Default table of covalent Radii
stored as a short mar ...
|
static java.lang.String[] |
elementNames |
static int |
elementNumberMax
one larger than the last elementNumber, same as elementSymbols.length
|
static java.lang.String[] |
elementSymbols
The default elementSymbols.
|
static int |
firstIsotope
first entry of an actual isotope int the altElementSymbols, altElementNames, altElementNumbers arrays
|
static int |
FORMAL_CHARGE_MAX |
static int |
FORMAL_CHARGE_MIN
ionic radii are looked up using an array of shorts (16 bits each)
that contains the atomic number, the charge, and the radius in two
consecutive values, encoded as follows:
(atomicNumber << 4) + (charge + 4), radiusAngstroms*1000
That is, (atomicNumber * 16 + charge + 4), milliAngstromRadius
This allows for charges from -4 to 11, but we only really have -4 to 7.
|
static java.util.Map<java.lang.String,java.lang.Integer> |
htElementMap |
private static float[] |
hydrophobicities |
private static int[] |
naturalIsotopeMasses |
private static java.lang.String |
naturalIsotopes |
static short[] |
vanderwaalsMars
Default table of van der Waals Radii.
|
Constructor and Description |
---|
Elements() |
Modifier and Type | Method and Description |
---|---|
static int |
altElementIndexFromNumber(int atomicAndIsotopeNumber) |
static java.lang.String |
altElementNameFromIndex(int i) |
static short |
altElementNumberFromIndex(int i) |
static java.lang.String |
altElementSymbolFromIndex(int i) |
static java.lang.String |
altIsotopeSymbolFromIndex(int i) |
static java.lang.String |
altIsotopeSymbolFromIndex2(int i) |
static java.lang.String |
elementNameFromNumber(int elementNumber) |
static short |
elementNumberFromSymbol(java.lang.String elementSymbol,
boolean isSilent) |
static java.lang.String |
elementSymbolFromNumber(int elementNumber) |
static short |
getAtomicAndIsotopeNumber(int n,
int mass) |
static float |
getAtomicMass(int i) |
static float |
getBondingRadiusFloat(int atomicNumber,
int charge,
short[] table) |
static float |
getBondingRadiusFloat(short atomicNumberAndIsotope,
int charge) |
static short |
getElementNumber(short atomicAndIsotopeNumber) |
static float |
getHydrophobicity(int i) |
static short |
getIsotopeNumber(short atomicAndIsotopeNumber) |
static int |
getNaturalIsotope(int elementNumber) |
static int |
getVanderwaalsMar(int i,
EnumVdw type) |
static boolean |
isNaturalIsotope(java.lang.String isotopeSymbol) |
public static final java.lang.String[] elementSymbols
public static final float[] atomicMass
public static final int elementNumberMax
public static java.util.Map<java.lang.String,java.lang.Integer> htElementMap
public static final java.lang.String[] elementNames
private static int[] naturalIsotopeMasses
private static final java.lang.String naturalIsotopes
public static final int firstIsotope
private static final short[] altElementNumbers
public static final int altElementMax
private static final java.lang.String[] altElementSymbols
private static final java.lang.String[] altElementNames
public static final short[] vanderwaalsMars
public static final short[] covalentMars
public static final int FORMAL_CHARGE_MIN
public static final int FORMAL_CHARGE_MAX
private static final short[] cationLookupTable
private static final short[] anionLookupTable
private static final java.util.BitSet bsCations
private static final java.util.BitSet bsAnions
private static final float[] hydrophobicities
public static float getAtomicMass(int i)
public static final short elementNumberFromSymbol(java.lang.String elementSymbol, boolean isSilent)
elementSymbol
- First char must be upper case, second char accepts upper or lower caseisSilent
- TODOpublic static final java.lang.String elementSymbolFromNumber(int elementNumber)
elementNumber
- may be atomicNumber + isotopeNumber*128public static final java.lang.String elementNameFromNumber(int elementNumber)
elementNumber
- may be atomicNumber + isotopeNumber*128public static final java.lang.String altElementNameFromIndex(int i)
i
- index into altElementNamespublic static final short altElementNumberFromIndex(int i)
i
- index into altElementNumberspublic static final java.lang.String altElementSymbolFromIndex(int i)
i
- index into altElementSymbolspublic static final java.lang.String altIsotopeSymbolFromIndex(int i)
i
- index into altElementSymbolspublic static final java.lang.String altIsotopeSymbolFromIndex2(int i)
i
- index into altElementSymbolspublic static final short getElementNumber(short atomicAndIsotopeNumber)
public static final short getIsotopeNumber(short atomicAndIsotopeNumber)
public static final short getAtomicAndIsotopeNumber(int n, int mass)
public static final int altElementIndexFromNumber(int atomicAndIsotopeNumber)
atomicAndIsotopeNumber
- (may be atomicNumber + isotopeNumber*128)public static int getNaturalIsotope(int elementNumber)
public static final boolean isNaturalIsotope(java.lang.String isotopeSymbol)
public static float getBondingRadiusFloat(short atomicNumberAndIsotope, int charge)
public static float getBondingRadiusFloat(int atomicNumber, int charge, short[] table)
public static int getVanderwaalsMar(int i, EnumVdw type)
public static float getHydrophobicity(int i)