org.josef.science.physics

Class Molecule

java.lang.Object

org.josef.science.physics.Molecule

public final class Molecule
extends Object

Utility class for molecules.
A molecule is defined as an electrically neutral group of at least two atoms.

Version:

1.0 $Revision: 4427 $

Author:

Kees Schotanus

Field Summary

Fields

Modifier and Type	Field and Description
static Pattern	MOLECULAR_FORMULA_PATTERN A pattern to match molecular formulas.

Method Summary

Modifier and Type	Method and Description
static double	computeMolecularWeight(String molecularFormula) Computes the molecular weight for the supplied molecularFormula.
static boolean	isValidMolecularFormula(String molecularFormula) Determines whether the supplied molecularFormula is valid.

Methods inherited from class java.lang.Object

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

Field Detail

MOLECULAR_FORMULA_PATTERN

public static final Pattern MOLECULAR_FORMULA_PATTERN

A pattern to match molecular formulas.
Valid molecular formulas are:

• H₂O
• CuSO₄

Additionally this pattern supports repeating groups. In for example: CH₃(CH₂)₆CH₃, the group (CH₂) is repeated 6 times.
Finally this pattern supports hydrates like: CuSO₄.5H₂O

Method Detail

computeMolecularWeight

public static double computeMolecularWeight(String molecularFormula)

Computes the molecular weight for the supplied molecularFormula.

Parameters:

molecularFormula - The molecular formula.

Returns:

The molecular weight for the supplied molecularFormula.

Throws:

IllegalArgumentException - When the supplied molecularFormula is empty or contains non existing elements or has not the proper structure.

NullPointerException - When the supplied molecularFormula is null.

isValidMolecularFormula

public static boolean isValidMolecularFormula(String molecularFormula)

Determines whether the supplied molecularFormula is valid.

Parameters:

molecularFormula - The molecular formula to check.

Returns:

True when the supplied molecularFormula is valid, otherwise false is returned.