net.sf.octet.model
Interface AtomicSystem

All Superinterfaces:

AtomicSymbolCollection

All Known Implementing Classes:

BasicAtomicSystem

public interface AtomicSystem

extends AtomicSymbolCollection

A system of symbols, masses, isotopes, and periodic classification for atoms. AtomicSystem is intended to be used as the central access point for fundamental atomic properties. Accordingly, AtomicSymbol may be implemented as a singleton to increase efficiency.

Author:

Richard Apodaca

Method Summary

int	countCoreElectrons(AtomicSymbol symbol) Returns the number of core electrons held by neutral, isolated atoms represented by symbol.
Measurement	getAtomicMass(IsotopicDistribution distribution) Returns the mass, in unified atomic mass units (u), of a neutral atom in the ground nuclear and electronic state containing the specified IsotopicDistribution.
Measurement	getAtomicMass(Nucleus nucleus) Returns the mass, in unified atomic mass units (u), of a neutral atom in the ground nuclear and electronic state containing the specified Nucleus.
AtomicSymbol	getAtomicSymbol(java.lang.String symbol) Returns the AtomicSymbol associated with the indicated String.
int	getGroup(AtomicSymbol symbol) Returns the group number of the atom represented by symbol
IsotopicDistribution	getNaturalAbundance(AtomicSymbol symbol) Returns the natural abundance distribution for an atom with the specified AtomicSymbol.
Nucleus	getNucleus(AtomicSymbol symbol, int massNumber) Returns the Nucleus defined by symbol and massNumber.
int	getPeriod(AtomicSymbol symbol) Returns the period of the atom represented by symbol.
IsotopicDistribution	getSingleIsotope(AtomicSymbol symbol, int massNumber) Returns the IsotopicDistribution containing the Nucleus corresponding to symbol and massNumber.

Methods inherited from interface net.sf.octet.collection.AtomicSymbolCollection

containsAtomicSymbol, countAtomicSymbols, getAtomicSymbol, getAtomicSymbolIndex, iterateAtomicSymbols, toAtomicSymbolArray

Method Detail

getAtomicSymbol

public AtomicSymbol getAtomicSymbol(java.lang.String symbol)

Returns the AtomicSymbol associated with the indicated String.

Parameters:

symbol - a one- or two-letter atomic symbol

Returns:

the AtomicSymbol associated with symbol

Throws:

NoSuchAtomicSymbolException - if symbol is unrecognized

getPeriod

public int getPeriod(AtomicSymbol symbol)

Returns the period of the atom represented by symbol.

Parameters:

symbol - the AtomicSymbol

Returns:

the period of elements represented by symbol, which will be an integer between 1 and 7, inclusive

Throws:

NoSuchAtomicSymbolException - if symbol is unrecognized

getGroup

public int getGroup(AtomicSymbol symbol)

Returns the group number of the atom represented by symbol

Parameters:

symbol - the AtomicSymbol

Returns:

the group number of the elements represented by symbol, which will be an integer between 1 and 18, inclusive

Throws:

NoSuchAtomicSymbolException - if symbol is unrecognized

countCoreElectrons

public int countCoreElectrons(AtomicSymbol symbol)

Returns the number of core electrons held by neutral, isolated atoms represented by symbol.

Parameters:

symbol - the AtomicSymbol

Returns:

the number of core electrons held by neutral, isolated atoms represented by symbol

Throws:

NoSuchAtomicSymbolException - if symbol is unrecognized

getNaturalAbundance

public IsotopicDistribution getNaturalAbundance(AtomicSymbol symbol)

Returns the natural abundance distribution for an atom with the specified AtomicSymbol.

Parameters:

symbol - the AtomicSymbol for which to obtain a IsotopicDistribution

Returns:

the IsotopicDistribution corresponding to symbol

Throws:

NoSuchAtomicSymbolException - if symbol is unrecognized

getSingleIsotope

public IsotopicDistribution getSingleIsotope(AtomicSymbol symbol,
                                             int massNumber)

Returns the IsotopicDistribution containing the Nucleus corresponding to symbol and massNumber.

Parameters:

symbol - the AtomicSymbol for which to obtain a single IsotopicDistribution

massNumber - the mass number of the Nucleus that will be produced

Returns:

a IsotopicDistribution containing a single Nucleus corresponding to symbol and massNumber

Throws:

NoSuchAtomicSymbolException - if symbol is unrecognized

NoSuchNucleusException - if no matching Nucleus could be found

getNucleus

public Nucleus getNucleus(AtomicSymbol symbol,
                          int massNumber)

Returns the Nucleus defined by symbol and massNumber.

Parameters:

symbol - the AtomicSymbol for which to obtain a Nucleus

massNumber - the mass number of the Nucleus to search for

Returns:

the Nucleus defined by symbol and massNumber

Throws:

NoSuchNucleusException - if the specified Nucleus was not found

getAtomicMass

public Measurement getAtomicMass(Nucleus nucleus)

Returns the mass, in unified atomic mass units (u), of a neutral atom in the ground nuclear and electronic state containing the specified Nucleus.

Parameters:

nucleus - the nucleus of the ground-state, neutral atom

Returns:

the mass of a neutral, ground-state atom containing nucleus

Throws:

NoSuchNucleusException - if nucleus could not be found

getAtomicMass

public Measurement getAtomicMass(IsotopicDistribution distribution)

Returns the mass, in unified atomic mass units (u), of a neutral atom in the ground nuclear and electronic state containing the specified IsotopicDistribution.

Parameters:

distribution - the IsotopicDistribution of the ground-state, neutral atom

Returns:

the mass of a neutral, ground-state atom containing distribution