toxTree.core

Class SmartElementsList

java.lang.Object

java.util.AbstractCollection<E>

java.util.AbstractSet<E>

java.util.TreeSet<String>

toxTree.core.SmartElementsList

All Implemented Interfaces:

Serializable, Cloneable, Iterable<String>, Collection<String>, NavigableSet<String>, Set<String>, SortedSet<String>

public class SmartElementsList
extends TreeSet<String>
implements Serializable

Same as HashSet, but understands "X" as halogen elements.

 SmartElementsList list = new SmartElementsList();
 list.add("X");
 assertTrue(list.contains("Cl"));
 assertTrue(list.contains("Br"));
 assertTrue(list.contains("I"));
 assertTrue(list.contains("F"));
 

Author:

Nina Jeliazkova

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
static String	halogen
TreeSet<String>	halogens
static String	hydrogen

Constructor Summary

Constructors

Constructor and Description
SmartElementsList()

Method Summary

Modifier and Type	Method and Description
boolean	add(String element)
boolean	contains(Object element)
boolean	equals(Object o)
TreeSet<String>	getHalogens()
boolean	hasOnlySpecifiedElements(SmartElementsList list)
boolean	hasSpecifiedElements(SmartElementsList list)
void	select(org.openscience.cdk.interfaces.IAtomContainer mol, org.openscience.cdk.interfaces.IAtomContainer atomcontainer, boolean found)
void	setHalogens(String[] halogens)
void	setHalogens(TreeSet<String> halogens)

Methods inherited from class java.util.TreeSet

addAll, ceiling, clear, clone, comparator, descendingIterator, descendingSet, first, floor, headSet, headSet, higher, isEmpty, iterator, last, lower, pollFirst, pollLast, remove, size, spliterator, subSet, subSet, tailSet, tailSet

Methods inherited from class java.util.AbstractSet

hashCode, removeAll

Methods inherited from class java.util.AbstractCollection

containsAll, retainAll, toArray, toArray, toString

Methods inherited from class java.lang.Object

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

Methods inherited from interface java.util.Set

containsAll, hashCode, removeAll, retainAll, toArray, toArray

Methods inherited from interface java.util.Collection

parallelStream, removeIf, stream

Methods inherited from interface java.lang.Iterable

forEach

Field Detail

halogens

public TreeSet<String> halogens

halogen

public static String halogen

hydrogen

public static String hydrogen

Constructor Detail

SmartElementsList

public SmartElementsList()

Method Detail

contains

public boolean contains(Object element)

Specified by:

contains in interface Collection<String>

Specified by:

contains in interface Set<String>

Overrides:

contains in class TreeSet<String>

select

public void select(org.openscience.cdk.interfaces.IAtomContainer mol,
                   org.openscience.cdk.interfaces.IAtomContainer atomcontainer,
                   boolean found)

add

public boolean add(String element)

Specified by:

add in interface Collection<String>

Specified by:

add in interface Set<String>

Overrides:

add in class TreeSet<String>

getHalogens

public TreeSet<String> getHalogens()

setHalogens

public void setHalogens(TreeSet<String> halogens)

setHalogens

public void setHalogens(String[] halogens)

hasOnlySpecifiedElements

public boolean hasOnlySpecifiedElements(SmartElementsList list)

hasSpecifiedElements

public boolean hasSpecifiedElements(SmartElementsList list)

equals

public boolean equals(Object o)

Specified by:

equals in interface Collection<String>

Specified by:

equals in interface Set<String>

Overrides:

equals in class AbstractSet<String>