public class DebugAtomContainerSet extends AtomContainerSet implements IAtomContainerSet
Constructor and Description |
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DebugAtomContainerSet() |
Modifier and Type | Method and Description |
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void |
add(IAtomContainerSet atomContainerSet)
Adds all atomContainers in the AtomContainerSet to this container.
|
void |
addAtomContainer(IAtomContainer atomContainer)
Adds an atomContainer to this container.
|
void |
addAtomContainer(IAtomContainer atomContainer,
double multiplier)
Adds an atomContainer to this container with the given
multiplier.
|
void |
addListener(IChemObjectListener col)
Use this to add yourself to this IChemObject as a listener.
|
Iterable<IAtomContainer> |
atomContainers()
Get an iterator for this AtomContainerSet.
|
Object |
clone()
Clones this AtomContainerSet and its content.
|
IAtomContainer |
getAtomContainer(int number)
Returns the AtomContainer at position
number in the
container. |
int |
getAtomContainerCount()
Returns the number of AtomContainers in this Container.
|
IChemObjectBuilder |
getBuilder()
Returns a
IChemObjectBuilder for the data classes that extend
this class. |
boolean |
getFlag(int flag_type)
Returns the value of some flag.
|
boolean[] |
getFlags()
Returns the whole set of flags.
|
String |
getID()
Returns the identifier (ID) of this object.
|
int |
getListenerCount()
Returns the number of ChemObjectListeners registered with this object.
|
Double |
getMultiplier(IAtomContainer container)
Returns the multiplier of the given AtomContainer.
|
Double |
getMultiplier(int number)
Returns the multiplier for the AtomContainer at position
number in the
container. |
Double[] |
getMultipliers()
Returns an array of double with the stoichiometric coefficients
of the products.
|
Map<Object,Object> |
getProperties()
Returns a Map with the IChemObject's properties.
|
Object |
getProperty(Object description)
Returns a property for the IChemObject.
|
boolean |
isEmpty()
Returns true if this IAtomContainerSet is empty.
|
void |
notifyChanged()
This should be triggered by an method that changes the content of an object
to that the registered listeners can react to it.
|
void |
notifyChanged(IChemObjectChangeEvent evt)
This should be triggered by an method that changes the content of an object
to that the registered listeners can react to it.
|
void |
removeAllAtomContainers()
Removes all AtomContainer from this container.
|
void |
removeAtomContainer(IAtomContainer atomContainer)
Removes an AtomContainer from this container.
|
void |
removeAtomContainer(int pos)
Removes an AtomContainer from this container.
|
void |
removeListener(IChemObjectListener col)
Use this to remove a ChemObjectListener from the ListenerList of this
IChemObject.
|
void |
removeProperty(Object description)
Removes a property for a IChemObject.
|
void |
replaceAtomContainer(int position,
IAtomContainer container)
Replace the AtomContainer at a specific position (array has to be large enough).
|
void |
setFlag(int flag_type,
boolean flag_value)
Sets the value of some flag.
|
void |
setFlags(boolean[] flagsNew)
Sets the whole set of flags.
|
void |
setID(String identifier)
Sets the identifier (ID) of this object.
|
boolean |
setMultiplier(IAtomContainer container,
Double multiplier)
Sets the coefficient of a AtomContainer to a given value.
|
void |
setMultiplier(int position,
Double multiplier)
Sets the coefficient of a AtomContainer to a given value.
|
boolean |
setMultipliers(Double[] newMultipliers)
Sets the multipliers of the AtomContainers.
|
void |
setProperties(Map<Object,Object> properties)
Sets the properties of this object.
|
void |
setProperty(Object description,
Object property)
Sets a property for a IChemObject.
|
sortAtomContainers, stateChanged, toString
compare, getNotification, setNotification, shallowCopy
equals, getClass, hashCode, notify, notifyAll, wait, wait, wait
sortAtomContainers
getNotification, setNotification, toString
public void addListener(IChemObjectListener col)
ChemObject
addListener
in interface IChemObject
addListener
in class ChemObject
col
- the ChemObjectListenerChemObject.removeListener(org.openscience.cdk.interfaces.IChemObjectListener)
public int getListenerCount()
ChemObject
getListenerCount
in interface IChemObject
getListenerCount
in class ChemObject
public void removeListener(IChemObjectListener col)
ChemObject
removeListener
in interface IChemObject
removeListener
in class ChemObject
col
- The ChemObjectListener to be removedChemObject.addListener(org.openscience.cdk.interfaces.IChemObjectListener)
public void notifyChanged()
ChemObject
notifyChanged
in interface IChemObject
notifyChanged
in class ChemObject
public void notifyChanged(IChemObjectChangeEvent evt)
ChemObject
notifyChanged
in interface IChemObject
notifyChanged
in class ChemObject
evt
- A ChemObjectChangeEvent pointing to the source of where
the change happendpublic void setProperty(Object description, Object property)
ChemObject
setProperty
in interface IChemObject
setProperty
in class ChemObject
description
- An object description of the property (most likely a
unique string)property
- An object with the property itselfChemObject.getProperty(java.lang.Object)
,
ChemObject.removeProperty(java.lang.Object)
public void removeProperty(Object description)
ChemObject
removeProperty
in interface IChemObject
removeProperty
in class ChemObject
description
- The object description of the property (most likely a
unique string)ChemObject.setProperty(java.lang.Object, java.lang.Object)
,
ChemObject.getProperty(java.lang.Object)
public Object getProperty(Object description)
ChemObject
getProperty
in interface IChemObject
getProperty
in class ChemObject
description
- An object description of the property (most likely a
unique string)ChemObject.setProperty(java.lang.Object, java.lang.Object)
,
ChemObject.removeProperty(java.lang.Object)
public Map<Object,Object> getProperties()
ChemObject
getProperties
in interface IChemObject
getProperties
in class ChemObject
ChemObject.setProperties(java.util.Map<java.lang.Object, java.lang.Object>)
public String getID()
ChemObject
getID
in interface IChemObject
getID
in class ChemObject
ChemObject.setID(java.lang.String)
public void setID(String identifier)
ChemObject
setID
in interface IChemObject
setID
in class ChemObject
identifier
- a String representing the ID valueChemObject.getID()
public void setFlag(int flag_type, boolean flag_value)
ChemObject
setFlag
in interface IChemObject
setFlag
in class ChemObject
flag_type
- Flag to setflag_value
- Value to assign to flagChemObject.getFlag(int)
public boolean getFlag(int flag_type)
ChemObject
getFlag
in interface IChemObject
getFlag
in class ChemObject
flag_type
- Flag to retrieve the value offlag_type
is setChemObject.setFlag(int, boolean)
public void setProperties(Map<Object,Object> properties)
ChemObject
setProperties
in interface IChemObject
setProperties
in class ChemObject
properties
- a Hashtable specifying the property valuesChemObject.getProperties()
public void setFlags(boolean[] flagsNew)
ChemObject
setFlags
in interface IChemObject
setFlags
in class ChemObject
flagsNew
- the new flags.ChemObject.getFlags()
public boolean[] getFlags()
ChemObject
getFlags
in interface IChemObject
getFlags
in class ChemObject
ChemObject.setFlags(boolean[])
public Object clone() throws CloneNotSupportedException
AtomContainerSet
clone
in interface IChemObject
clone
in class AtomContainerSet
CloneNotSupportedException
- if the IChemObject cannot be clonedpublic IChemObjectBuilder getBuilder()
ICDKObject
IChemObjectBuilder
for the data classes that extend
this class.getBuilder
in interface ICDKObject
getBuilder
in class ChemObject
IChemObjectBuilder
matching this ICDKObject
public void addAtomContainer(IAtomContainer atomContainer)
AtomContainerSet
addAtomContainer
in interface IAtomContainerSet
addAtomContainer
in class AtomContainerSet
atomContainer
- The atomContainer to be added to this containerpublic void removeAtomContainer(IAtomContainer atomContainer)
AtomContainerSet
removeAtomContainer
in interface IAtomContainerSet
removeAtomContainer
in class AtomContainerSet
atomContainer
- The atomContainer to be removed from this containerpublic void removeAllAtomContainers()
AtomContainerSet
removeAllAtomContainers
in interface IAtomContainerSet
removeAllAtomContainers
in class AtomContainerSet
public void removeAtomContainer(int pos)
AtomContainerSet
removeAtomContainer
in interface IAtomContainerSet
removeAtomContainer
in class AtomContainerSet
pos
- The position of the AtomContainer to be removed from this containerpublic void replaceAtomContainer(int position, IAtomContainer container)
AtomContainerSet
replaceAtomContainer
in interface IAtomContainerSet
replaceAtomContainer
in class AtomContainerSet
position
- position in array for AtomContainercontainer
- the replacement AtomContainerpublic boolean setMultiplier(IAtomContainer container, Double multiplier)
AtomContainerSet
setMultiplier
in interface IAtomContainerSet
setMultiplier
in class AtomContainerSet
container
- The AtomContainer for which the multiplier is setmultiplier
- The new multiplier for the AtomContatinerAtomContainerSet.getMultiplier(IAtomContainer)
public void setMultiplier(int position, Double multiplier)
AtomContainerSet
setMultiplier
in interface IAtomContainerSet
setMultiplier
in class AtomContainerSet
position
- The position of the AtomContainer for which the multiplier is
set in [0,..]multiplier
- The new multiplier for the AtomContatiner at
position
AtomContainerSet.getMultiplier(int)
public Double[] getMultipliers()
AtomContainerSet
getMultipliers
in interface IAtomContainerSet
getMultipliers
in class AtomContainerSet
AtomContainerSet.setMultipliers(java.lang.Double[])
public boolean setMultipliers(Double[] newMultipliers)
AtomContainerSet
setMultipliers
in interface IAtomContainerSet
setMultipliers
in class AtomContainerSet
newMultipliers
- The new multipliers for the AtomContainers in this setAtomContainerSet.getMultipliers()
public void addAtomContainer(IAtomContainer atomContainer, double multiplier)
AtomContainerSet
addAtomContainer
in interface IAtomContainerSet
addAtomContainer
in class AtomContainerSet
atomContainer
- The atomContainer to be added to this containermultiplier
- The multiplier of this atomContainerpublic void add(IAtomContainerSet atomContainerSet)
AtomContainerSet
add
in interface IAtomContainerSet
add
in class AtomContainerSet
atomContainerSet
- The AtomContainerSetpublic Iterable<IAtomContainer> atomContainers()
AtomContainerSet
atomContainers
in interface IAtomContainerSet
atomContainers
in class AtomContainerSet
public IAtomContainer getAtomContainer(int number)
AtomContainerSet
number
in the
container.getAtomContainer
in interface IAtomContainerSet
getAtomContainer
in class AtomContainerSet
number
- The position of the AtomContainer to be returned.number
.public Double getMultiplier(int number)
AtomContainerSet
number
in the
container.getMultiplier
in interface IAtomContainerSet
getMultiplier
in class AtomContainerSet
number
- The position of the multiplier of the AtomContainer to be returned.number
.AtomContainerSet.setMultiplier(int, Double)
public Double getMultiplier(IAtomContainer container)
AtomContainerSet
getMultiplier
in interface IAtomContainerSet
getMultiplier
in class AtomContainerSet
container
- The AtomContainer for which the multiplier is givenAtomContainerSet.setMultiplier(IAtomContainer, Double)
public int getAtomContainerCount()
AtomContainerSet
getAtomContainerCount
in interface IAtomContainerSet
getAtomContainerCount
in class AtomContainerSet
@TestMethod(value="testIsEmpty") public boolean isEmpty()
IAtomContainerSet
isEmpty
in interface IAtomContainerSet
isEmpty
in class AtomContainerSet