Package org.lifstools.jgoslin.domain

Class ElementTable

java.lang.Object

java.util.AbstractMap<K,V>

java.util.EnumMap<Element,Integer>

org.lifstools.jgoslin.domain.ElementTable

All Implemented Interfaces:

Serializable, Cloneable, Map<Element,Integer>

public final class ElementTable
extends EnumMap<Element,Integer>

Accounting table for chemical element frequency. This is used to calculate sum formulas and total masses for a given chemical element distribution, e.g. in a lipid.

Author:

Dominik Kopczynski, Nils Hoffmann

See Also:

• Serialized Form

Nested Class Summary

Nested classes/interfaces inherited from class java.util.AbstractMap

AbstractMap.SimpleEntry<K extends Object,V extends Object>, AbstractMap.SimpleImmutableEntry<K extends Object,V extends Object>

Nested classes/interfaces inherited from interface java.util.Map

Map.Entry<K extends Object,V extends Object>

Constructor Summary

Constructors

Constructor	Description
ElementTable()	Create a new element table.

Method Summary

Modifier and Type	Method	Description
void	add(ElementTable elements)	Add all elements and counts to those in this element table.
void	add(ElementTable elements, int multiplier)	Add all alements and counts to those in this element table, but use the count argument to multiply count values in the provided table.
ElementTable	copy()	Copy all entries in this element table.
Double	getChargedMass(int charge)	Returns the total summed mass per number of elements, corrected for charge counts * electron rest mass.
Double	getMass()	Returns the total summed mass per number of elements.
Double	getMass(Element element)	Returns the individual total mass for the provided element.
String	getSumFormula()	Returns the sum formula for all elements in this table.
static ElementTable	of(Map.Entry<Element,Integer>... entries)	Create a new element table from the provided entries.

Methods inherited from class java.util.EnumMap

clear, clone, containsKey, containsValue, entrySet, equals, get, hashCode, keySet, put, putAll, remove, size, values

Methods inherited from class java.util.AbstractMap

isEmpty, toString

Methods inherited from class java.lang.Object

finalize, getClass, notify, notifyAll, wait, wait, wait

Methods inherited from interface java.util.Map

compute, computeIfAbsent, computeIfPresent, forEach, getOrDefault, merge, putIfAbsent, remove, replace, replace, replaceAll

Constructor Details

ElementTable

public ElementTable()

Create a new element table.

Method Details

of

public static ElementTable of(Map.Entry<Element,Integer>... entries)

Create a new element table from the provided entries.

Parameters:

entries - the entries

Returns:

a new element table.

add

public void add(ElementTable elements)

Add all elements and counts to those in this element table.

Parameters:

elements - the table to add to this one.

add

public void add(ElementTable elements,
 int multiplier)

Add all alements and counts to those in this element table, but use the count argument to multiply count values in the provided table.

Parameters:

elements -

multiplier -

copy

public ElementTable copy()

Copy all entries in this element table. The copy will be completely independent of this instance.

Returns:

a copy of this element table.

getSumFormula

public String getSumFormula()

Returns the sum formula for all elements in this table.

Returns:

the sum formula. Returns an empty string if the table is empty.

getMass

public Double getMass(Element element)

Returns the individual total mass for the provided element.

Parameters:

element - the element to calculate the total mass for.

Returns:

the total mass for the given element, or 0.

getMass

public Double getMass()

Returns the total summed mass per number of elements.

Returns:

the total summed mass for this element table. Returns 0 if the table is empty.

getChargedMass

public Double getChargedMass(int charge)

Returns the total summed mass per number of elements, corrected for charge counts * electron rest mass.

Parameters:

charge - the charge of the molecule

Returns:

the total summed mass for this element table. Returns 0 if the table is empty.