public class Elements extends Object
Modifier and Type | Field and Description |
---|---|
static int |
altElementMax
length of the altElementSymbols, altElementNames, altElementNumbers arrays
|
private static String[] |
altElementNames |
private static int[] |
altElementNumbers |
private static String[] |
altElementSymbols |
private static short[] |
anionLookupTable |
static float[] |
atomicMass |
private static BS |
bsAnions |
private static BS |
bsCations |
private static short[] |
cationLookupTable |
static short[] |
covalentMars
Default table of covalent Radii
stored as a short mar ...
|
private static float[] |
electroNegativities |
static String[] |
elementNames |
static int |
elementNumberMax
one larger than the last elementNumber, same as elementSymbols.length
|
static 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 Map<String,Integer> |
htElementMap |
private static float[] |
hydrophobicities |
private static int[] |
naturalIsotopeMasses |
private static String |
naturalIsotopes |
static short[] |
vanderwaalsMars
Default table of van der Waals Radii.
|
static String |
VdwPROBE |
Constructor and Description |
---|
Elements() |
Modifier and Type | Method and Description |
---|---|
static int |
altElementIndexFromNumber(int atomicAndIsotopeNumber) |
static String |
altElementNameFromIndex(int i) |
static int |
altElementNumberFromIndex(int i) |
static String |
altElementSymbolFromIndex(int i) |
static String |
altIsotopeSymbolFromIndex(int i) |
static String |
altIsotopeSymbolFromIndex2(int i) |
static String |
elementNameFromNumber(int elementNumber) |
static int |
elementNumberFromSymbol(String elementSymbol,
boolean isSilent) |
static String |
elementSymbolFromNumber(int elemNo) |
static float |
getAllredRochowElectroNeg(int elemno) |
static int |
getAtomicAndIsotopeNumber(int n,
int mass) |
static float |
getAtomicMass(int i) |
static float |
getBondingRadFromTable(int atomicNumber,
int charge,
short[] table) |
static float |
getBondingRadiusFloat(int atomicNumberAndIsotope,
int charge) |
static int |
getElementNumber(int atomicAndIsotopeNumber) |
private static String |
getElementSymbol(int elemNo) |
static float |
getHydrophobicity(int i) |
static int |
getIsotopeNumber(int atomicAndIsotopeNumber) |
static int |
getNaturalIsotope(int elementNumber) |
static int |
getVanderwaalsMar(int atomicAndIsotopeNumber,
EnumVdw type) |
static boolean |
isElement(int atomicAndIsotopeNumber,
int elemNo) |
static boolean |
isNaturalIsotope(String isotopeSymbol) |
public static final String[] elementSymbols
public static final float[] atomicMass
public static final int elementNumberMax
public static final String[] elementNames
private static int[] naturalIsotopeMasses
private static final String naturalIsotopes
public static final int firstIsotope
private static final int[] altElementNumbers
public static final int altElementMax
private static final String[] altElementSymbols
private static final String[] altElementNames
public static final String VdwPROBE
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 BS bsCations
private static final BS bsAnions
private static final float[] hydrophobicities
private static float[] electroNegativities
public static float getAtomicMass(int i)
public static final int elementNumberFromSymbol(String elementSymbol, boolean isSilent)
elementSymbol
- First char must be upper case, second char accepts upper or lower caseisSilent
- public static final String elementSymbolFromNumber(int elemNo)
elemNo
- may be atomicNumber + isotopeNumber*128private static String getElementSymbol(int elemNo)
public static final String elementNameFromNumber(int elementNumber)
elementNumber
- may be atomicNumber + isotopeNumber*128public static final String altElementNameFromIndex(int i)
i
- index into altElementNamespublic static final int altElementNumberFromIndex(int i)
i
- index into altElementNumberspublic static final String altElementSymbolFromIndex(int i)
i
- index into altElementSymbolspublic static final String altIsotopeSymbolFromIndex(int i)
i
- index into altElementSymbolspublic static final String altIsotopeSymbolFromIndex2(int i)
i
- index into altElementSymbolspublic static final int getElementNumber(int atomicAndIsotopeNumber)
public static final int getIsotopeNumber(int atomicAndIsotopeNumber)
public static final int 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(String isotopeSymbol)
public static float getBondingRadiusFloat(int atomicNumberAndIsotope, int charge)
public static float getBondingRadFromTable(int atomicNumber, int charge, short[] table)
public static int getVanderwaalsMar(int atomicAndIsotopeNumber, EnumVdw type)
public static float getHydrophobicity(int i)
public static float getAllredRochowElectroNeg(int elemno)
public static boolean isElement(int atomicAndIsotopeNumber, int elemNo)