PeriodicSystem (Marvin API documentation (c) 1998-2014 ChemAxon Ltd.)

java.lang.Object
- chemaxon.core.ChemConst
- - chemaxon.struc.PeriodicSystem

public class PeriodicSystem
extends ChemConst

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

Information on the elements are stored at element.zip. By default this file is located at the chemaxon directory but it can be overwritten by a file having the same name at user_home/chemaxon directory.

Information on the elements are stored at isotopes.data. By default this file is located at the chemaxon directory but it can be overwritten by a file having the same name at user_home/chemaxon directory.

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:: Marvin 5.2.1, 03/29/2009
Author:: Gyorgy Pirok, Peter Csizmadia

Field Summary
- Fields inherited from class chemaxon.core.ChemConst
  Ac, Ag, Al, Am, Ar, As, At, Au, B, Ba, Be, Bh, Bi, Bk, Br, C, Ca, Cd, Ce, Cf, Cl, Cm, Co, Cr, Cs, Cu, Db, Ds, Dy, ELEMENT_COUNT, Er, Es, Eu, F, Fe, Fm, Fr, Ga, Gd, Ge, H, He, Hf, Hg, Ho, Hs, I, In, Ir, K, Kr, La, Li, Lr, Lu, Md, Mg, Mn, Mo, Mt, N, Na, Nb, Nd, Ne, Ni, No, Np, O, Os, P, Pa, Pb, Pd, Pm, Po, Pr, Pt, Pu, Ra, Rb, Re, Rf, Rg, Rh, Rn, Ru, S, Sb, Sc, Se, Sg, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Xe, Y, Yb, Zn, Zr

Constructor Summary

Constructors
Constructor and Description

PeriodicSystem()

Constructors
Constructor and Description
`PeriodicSystem()`

Method Summary

Methods
Modifier and Type	Method and Description
`static int`	`findAtomicNumber(String symbol)` Returns the atomic number of the element in the periodic system specified by its symbol.
`static double`	`getAbundance(int z, int m)` Natural abundance of the isotope
`static int`	`getAtomicNumber(String symbol)` Deprecated. As of Marvin 5.9, replaced by a similar method which throws IllegalArgumentException in case of failure `findAtomicNumber(String)`.
`static double`	`getAtomicRadius(int z)` Atomic radius of the element Angstroms.
`static double`	`getCovalentRadius(int z)` Covalent radius of the element in Angstroms.
`static double`	`getCovalentRadius(int z, int t)` Covalent radius of the element in specific bond type 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 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 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`	`isAtomicSymbol(String symbol)` Returns whether the given string corresponds to an atomic number of an element in the periodic system specified by its symbol.
`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 chemaxon.core.ChemConst
getColumn

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 String getName(int z)
```
    Name of the element
    
    Parameters:
    z - atomic number (protons)
    
    Returns:
    element name
  - getSymbol
```
public static 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
```
@Deprecated
public static int getAtomicNumber(String symbol)
```
    Deprecated. As of Marvin 5.9, replaced by a similar method which throws IllegalArgumentException in case of failure findAtomicNumber(String).
    
    Returns the atomic number of the element in the periodic system specified by its symbol. Case insensitive. In addition to elements of the periodic system, Deuterium and Tritium isotopes are also handled.
    
    Parameters:
    symbol - atom symbol e.g. "C", "Br", "BR".
    
    Returns:
    atomic number or -1 if not found.
  - findAtomicNumber
```
public static int findAtomicNumber(String symbol)
                            throws IllegalArgumentException
```
    Returns the atomic number of the element in the periodic system specified by its symbol. Case insensitive. In addition to elements of the periodic system, Deuterium and Tritium isotopes are also handled.
    
    Parameters:
    symbol - atom symbol e.g. "C", "Br", "BR".
    
    Returns:
    atomic number
    
    Throws:
    
    IllegalArgumentException - if symbol does not correspond to a chemical element in the periodic table.
  - isAtomicSymbol
```
public static boolean isAtomicSymbol(String symbol)
```
    Returns whether the given string corresponds to an atomic number of an element in the periodic system specified by its symbol. Case insensitive.
    
    Parameters:
    symbol - atom symbol e.g. "C", "Br", "BR".
    
    Returns:
    true if atomic number found else false.
  - 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)
  - getCovalentRadius
```
public static double getCovalentRadius(int z,
                       int t)
```
    Covalent radius of the element in specific bond type in Angstroms.
    
    Parameters:
    z - atomic number (protons)
    t - bond type
    
    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)
  - 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. It returns true for those elements, that are classified as different kinds of metals in Periodic System dialog of Marvin: alkali metal, alkaline earth metal, transition metal and other metals, as well as Ge, Sb and Po from the metalloids.
    
    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.

Class PeriodicSystem

Field Summary

Fields inherited from class chemaxon.core.ChemConst

Constructor Summary

Method Summary

Methods inherited from class chemaxon.core.ChemConst

Methods inherited from class java.lang.Object

Constructor Detail

PeriodicSystem

Method Detail

getElementCount

getIsotopeCount

getIsotopeCount

getIsotope

getName

getSymbol

getMass

getMass

getMassPrecision

getMassPrecision

getAbundance

getMostFrequentNaturalIsotope

getAtomicNumber

findAtomicNumber

isAtomicSymbol

getAtomicRadius

getCovalentRadius

getCovalentRadius

getVanDerWaalsRadius

getRow

isMetal

isAlkaliMetal

isAlkalineEarthMetal

isOtherMetal

isTransitionMetal

isLanthanideMetal

isActinideMetal

isMetalloid

isHalogen

isNobleGas