chemaxon.struc
Class PeriodicSystem

java.lang.Object
  chemaxon.struc.PeriodicSystem

public class PeriodicSystem
extends java.lang.Object

Periodic System of the Elements. Provides basic information of the chemical elements and their isotopes.

API usage example:

       int elementCount = PeriodicSystem.getElementCount();      // number of elements in the periodic system
       int isotopeCount = PeriodicSystem.getIsotopeCount();      // number of isotopes in the periodic system
       String symbol = PeriodicSystem.getSymbol(6);              // element symbol of the 6th element
       String name = PeriodicSystem.getName(6);                  // element name of the 6th element
       int atomicNumber = PeriodicSystem.getAtomicNumber("C");   // atomic number of carbon
       double mass = PeriodicSystem.getMass(6);                  // elemental mass (weight) of an element
       int precision = PeriodicSystem.getMassPrecision(6);       // precision of a certain the elemental mass (weight)
       int isotopes = PeriodicSystem.getIsotopeCount(6);         // number of isotopes of carbon
       int mainIsotope = PeriodicSystem.getMostFrequentNaturalIsotope(6);   // the most frequent natural isotope of carbon
       double isotopeMass = PeriodicSystem.getMass(6, 14);       // isotopic mass (weight) of carbon 14
       int isotopePrecision = PeriodicSystem.getMassPrecision(6, 14);       // precision of a certain isotopic mass (weight)
       int deuterium = PeriodicSystem.getAtomicNumber("D");      // atomic number of Deuterium   
 

Version:

1.3, 07/11/2007

Author:

Gyorgy Pirok

Constructor Summary

PeriodicSystem()

Method Summary

static double	getAbundance(int z, int m) Natural abundance of the isotope
static int	getAtomicNumber(java.lang.String symbol) Returns the atomic number of the element specified by its symbol.
static double	getAtomicRadius(int z) Atomic radius of the element Angstroms.
static int	getColumn(int z) The column or group of an element in the periodic system.
static double	getCovalentRadius(int z) Covalent radius of the element in Angstroms.
static int	getElementCount() Number of elements in the periodic system
static int	getIsotope(int z, int i) Retrieves an isotope of the element
static int	getIsotopeCount() Number of isotopes in the periodic system
static int	getIsotopeCount(int z) Number of isotopes of the element
static double	getMass(int z) Atomic weight of the element based on the natural abundance of its isotopes
static double	getMass(int z, int m) Atomic weight of an isotope
static int	getMassPrecision(int z) The precision of an elemental mass is the number of measured digits after the decimal separator.
static int	getMassPrecision(int z, int m) The precision of an isotopic mass is the number of measured digits after the decimal separator.
static int	getMostFrequentNaturalIsotope(int z) Returns the mass number of the most frequent natural isotope of the element
static java.lang.String	getName(int z) Name of the element
static int	getRow(int z) The row or or period of an element in the periodic system.
static java.lang.String	getSymbol(int z) Symbol of the element
static double	getVanDerWaalsRadius(int z) Van der Waals radius of the element in Angstroms.
static boolean	isActinideMetal(int z) Checks if the given atom is an actinide metal Actinium is included.
static boolean	isAlkaliMetal(int z) Checks if the given atom is an alkali (group I.) metal.
static boolean	isAlkalineEarthMetal(int z) Checks if the given atom is an alkaline earth (group II.) metal.
static boolean	isHalogen(int z) Checks if the given atom is a halogen.
static boolean	isLanthanideMetal(int z) Checks if the given atom is a lanthanide metal Lanthanum is included.
static boolean	isMetal(int z) Decides whether the element is a metal.
static boolean	isMetalloid(int z) Checks if the given atom is a metalloid.
static boolean	isNobleGas(int z) Checks if the given atom is a noble gas.
static boolean	isOtherMetal(int z) Checks if the given atom is an "other metal", group IIIa-Va metal.
static boolean	isTransitionMetal(int z) Checks if the given atom is a transition metal, IB-VIIIB.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

PeriodicSystem

public PeriodicSystem()

Method Detail

getElementCount

public static int getElementCount()

Number of elements in the periodic system

Returns:

number of element

getIsotopeCount

public static int getIsotopeCount()

Number of isotopes in the periodic system

Returns:

number of isotopes

getIsotopeCount

public static int getIsotopeCount(int z)

Number of isotopes of the element

Parameters:

z - atomic number of the element (protons)

Returns:

number of isotopes

getIsotope

public static int getIsotope(int z,
                             int i)

Retrieves an isotope of the element

Parameters:

z - atomic number of the element (protons)

i - index of the isotope (0 based)

Returns:

mass number of the isotope

getName

public static java.lang.String getName(int z)

Name of the element

Parameters:

z - atomic number (protons)

Returns:

element name

getSymbol

public static java.lang.String getSymbol(int z)

Symbol of the element

Parameters:

z - atomic number (protons)

Returns:

element symbol

getMass

public static double getMass(int z)

Atomic weight of the element based on the natural abundance of its isotopes

Parameters:

z - atomic number (protons)

Returns:

elemental mass

getMass

public static double getMass(int z,
                             int m)

Atomic weight of an isotope

Parameters:

z - atomic number of the isotope

m - mass number of the isotope (0 for element mass)

Returns:

isotope mass (0 if isotope does not exist)

getMassPrecision

public static int getMassPrecision(int z)

The precision of an elemental mass is the number of measured digits after the decimal separator. For example, the mass of Mg is 24.3050, so its precision is 4.

Parameters:

z - atomic number (protons)

Returns:

the number of significant digits after the decimal point

getMassPrecision

public static int getMassPrecision(int z,
                                   int m)

The precision of an isotopic mass is the number of measured digits after the decimal separator. For example, the mass of [4He] is 4.002603250, so its precision is 9.

Parameters:

z - atomic number (protons)

m - mass number of the isotope (0 for element mass)

Returns:

the number of significant digits after the decimal point (0 if isotope does not exists)

getAbundance

public static double getAbundance(int z,
                                  int m)

Natural abundance of the isotope

Parameters:

z - atomic number of the isotope (protons)

m - mass number of the isotope (protons + neutrons)

Returns:

natural abundance (100 for the most frequent isotope)

getMostFrequentNaturalIsotope

public static int getMostFrequentNaturalIsotope(int z)

Returns the mass number of the most frequent natural isotope of the element

Parameters:

z - atomic number (protons)

Returns:

mass number of the isotope (0 if artificial element)

getAtomicNumber

public static int getAtomicNumber(java.lang.String symbol)

Returns the atomic number of the element specified by its symbol. Case insensitive.

Parameters:

symbol - atom symbol e.g. "C", "Br".

Returns:

atomic number or -1 if not found.

getAtomicRadius

public static double getAtomicRadius(int z)

Atomic radius of the element Angstroms.

Parameters:

z - atomic number (protons)

Returns:

atomic radius (1.5 if unknown)

getCovalentRadius

public static double getCovalentRadius(int z)

Covalent radius of the element in Angstroms.

Parameters:

z - atomic number (protons)

Returns:

atomic radius (1.5 if unknown)

getVanDerWaalsRadius

public static double getVanDerWaalsRadius(int z)

Van der Waals radius of the element in Angstroms.

Parameters:

z - atomic number (protons)

Returns:

atomic radius (2.0 if unknown)

getColumn

public static int getColumn(int z)

The column or group of an element in the periodic system.

Parameters:

z - atomic number (protons)

Returns:

column of the given element (0 for unknown)

Since:

Marvin 4.1

getRow

public static int getRow(int z)

The row or or period of an element in the periodic system.

Parameters:

z - atomic number (protons)

Returns:

column of the given element (0 for unknown)

Since:

Marvin 4.1

isMetal

public static boolean isMetal(int z)

Decides whether the element is a metal.

Parameters:

z - atomic number (protons)

Returns:

true if the element is metal

isAlkaliMetal

public static boolean isAlkaliMetal(int z)

Checks if the given atom is an alkali (group I.) metal.

Parameters:

z - atomic number of the atom.

Returns:

true if the given atom is alkali metal.

isAlkalineEarthMetal

public static boolean isAlkalineEarthMetal(int z)

Checks if the given atom is an alkaline earth (group II.) metal.

Parameters:

z - atomic number of the atom.

Returns:

true if the given atom is an alkaline earth metal.

isOtherMetal

public static boolean isOtherMetal(int z)

Checks if the given atom is an "other metal", group IIIa-Va metal.

Parameters:

z - atomic number of the atom.

Returns:

true if the given atom is an other metal.

isTransitionMetal

public static boolean isTransitionMetal(int z)

Checks if the given atom is a transition metal, IB-VIIIB. Lanthanum and Actinium are excluded.

Parameters:

z - atomic number of the atom.

Returns:

true if the given atom is a transition metal.

isLanthanideMetal

public static boolean isLanthanideMetal(int z)

Checks if the given atom is a lanthanide metal Lanthanum is included.

Parameters:

z - atomic number of the atom.

Returns:

true if the given atom is a lanthanide metal.

isActinideMetal

public static boolean isActinideMetal(int z)

Checks if the given atom is an actinide metal Actinium is included.

Parameters:

z - atomic number of the atom.

Returns:

true if the given atom is a actinide metal.

isMetalloid

public static boolean isMetalloid(int z)

Checks if the given atom is a metalloid. (B, Si, Ge, As, Sb, Te)

Parameters:

z - atomic number of the atom.

Returns:

true if the given atom is a metalloid.

isHalogen

public static boolean isHalogen(int z)

Checks if the given atom is a halogen. (F, Cl, Br, I)

Parameters:

z - atomic number of the atom.

Returns:

true if the given atom is a halogen.

isNobleGas

public static boolean isNobleGas(int z)

Checks if the given atom is a noble gas.

Parameters:

z - atomic number of the atom.

Returns:

true if the given atom is a noble gas.