toxTree.core
Class SmartElementsList

java.lang.Object
  extended by java.util.AbstractCollection<E>
      extended by java.util.AbstractSet<E>
          extended by java.util.HashSet<java.lang.String>
              extended by toxTree.core.SmartElementsList
All Implemented Interfaces:
java.io.Serializable, java.lang.Cloneable, java.lang.Iterable<java.lang.String>, java.util.Collection<java.lang.String>, java.util.Set<java.lang.String>

public class SmartElementsList
extends java.util.HashSet<java.lang.String>

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
static java.lang.String halogen
           
 java.util.HashSet<java.lang.String> halogens
           
static java.lang.String hydrogen
           
 
Constructor Summary
SmartElementsList()
           
 
Method Summary
 boolean add(java.lang.String element)
           
 boolean contains(java.lang.Object element)
           
 boolean equals(java.lang.Object o)
           
 java.util.HashSet<java.lang.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(java.util.HashSet<java.lang.String> halogens)
           
 void setHalogens(java.lang.String[] halogens)
           
 
Methods inherited from class java.util.HashSet
clear, clone, isEmpty, iterator, remove, size
 
Methods inherited from class java.util.AbstractSet
hashCode, removeAll
 
Methods inherited from class java.util.AbstractCollection
addAll, 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
addAll, containsAll, hashCode, removeAll, retainAll, toArray, toArray
 

Field Detail

halogens

public java.util.HashSet<java.lang.String> halogens

halogen

public static java.lang.String halogen

hydrogen

public static java.lang.String hydrogen
Constructor Detail

SmartElementsList

public SmartElementsList()
Method Detail

contains

public boolean contains(java.lang.Object element)
Specified by:
contains in interface java.util.Collection<java.lang.String>
Specified by:
contains in interface java.util.Set<java.lang.String>
Overrides:
contains in class java.util.HashSet<java.lang.String>

select

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

add

public boolean add(java.lang.String element)
Specified by:
add in interface java.util.Collection<java.lang.String>
Specified by:
add in interface java.util.Set<java.lang.String>
Overrides:
add in class java.util.HashSet<java.lang.String>

getHalogens

public java.util.HashSet<java.lang.String> getHalogens()

setHalogens

public void setHalogens(java.util.HashSet<java.lang.String> halogens)

setHalogens

public void setHalogens(java.lang.String[] halogens)

hasOnlySpecifiedElements

public boolean hasOnlySpecifiedElements(SmartElementsList list)

hasSpecifiedElements

public boolean hasSpecifiedElements(SmartElementsList list)

equals

public boolean equals(java.lang.Object o)
Specified by:
equals in interface java.util.Collection<java.lang.String>
Specified by:
equals in interface java.util.Set<java.lang.String>
Overrides:
equals in class java.util.AbstractSet<java.lang.String>


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