public class DebugMolecularFormula extends MolecularFormula implements IMolecularFormula
Constructor and Description |
---|
DebugMolecularFormula() |
Modifier and Type | Method and Description |
---|---|
IMolecularFormula |
add(IMolecularFormula formula)
Adds an molecularFormula to this MolecularFormula.
|
IMolecularFormula |
addIsotope(IIsotope isotope)
Adds an Isotope to this MolecularFormula one time.
|
IMolecularFormula |
addIsotope(IIsotope isotope,
int count)
Adds an Isotope to this MolecularFormula in a number of occurrences.
|
boolean |
contains(IIsotope isotope)
True, if the MolecularFormula contains the given IIsotope object and not
the instance.
|
IChemObjectBuilder |
getBuilder()
Returns a
IChemObjectBuilder for the data classes that extend
this class. |
Integer |
getCharge()
Returns the partial charge of this IMolecularFormula.
|
int |
getIsotopeCount()
Checks a set of Nodes for the number of different isotopes in the
IMolecularFormula.
|
int |
getIsotopeCount(IIsotope isotope)
Checks a set of Nodes for the occurrence of the isotope in the
IMolecularFormula from a particular isotope.
|
Map<Object,Object> |
getProperties()
Returns a Map with the IChemObject's properties.I should
integrate into ChemObject.
|
Object |
getProperty(Object description)
Returns a property for the IChemObject.
|
Iterable<IIsotope> |
isotopes()
Returns an Iterator for looping over all isotopes in this IMolecularFormula.
|
void |
removeAllIsotopes()
Removes all isotopes of this molecular formula.
|
void |
removeIsotope(IIsotope isotope)
Removes the given isotope from the MolecularFormula.
|
void |
removeProperty(Object description)
Removes a property for a IChemObject.
|
void |
setCharge(Integer charge)
Sets the partial charge of this IMolecularFormula.
|
void |
setProperties(Map<Object,Object> properties)
Sets the properties of this object.
|
void |
setProperty(Object description,
Object property)
Sets a property for a IChemObject.
|
clone
equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
clone
public IMolecularFormula add(IMolecularFormula formula)
MolecularFormula
add
in interface IMolecularFormula
add
in class MolecularFormula
formula
- The molecularFormula to be added to this chemObjectpublic IMolecularFormula addIsotope(IIsotope isotope)
MolecularFormula
addIsotope
in interface IMolecularFormula
addIsotope
in class MolecularFormula
isotope
- The isotope to be added to this MolecularFormulaMolecularFormula.addIsotope(IIsotope, int)
public IMolecularFormula addIsotope(IIsotope isotope, int count)
MolecularFormula
addIsotope
in interface IMolecularFormula
addIsotope
in class MolecularFormula
isotope
- The isotope to be added to this MolecularFormulacount
- The number of occurrences to addMolecularFormula.addIsotope(IIsotope)
public boolean contains(IIsotope isotope)
MolecularFormula
contains
in interface IMolecularFormula
contains
in class MolecularFormula
isotope
- The IIsotope this MolecularFormula is searched forpublic Integer getCharge()
MolecularFormula
getCharge
in interface IMolecularFormula
getCharge
in class MolecularFormula
MolecularFormula.setCharge(java.lang.Integer)
public int getIsotopeCount(IIsotope isotope)
MolecularFormula
getIsotopeCount
in interface IMolecularFormula
getIsotopeCount
in class MolecularFormula
isotope
- The IIsotope to look forMolecularFormula.getIsotopeCount()
public int getIsotopeCount()
MolecularFormula
getIsotopeCount
in interface IMolecularFormula
getIsotopeCount
in class MolecularFormula
MolecularFormula.getIsotopeCount(IIsotope)
public Map<Object,Object> getProperties()
MolecularFormula
getProperties
in interface IMolecularFormula
getProperties
in class MolecularFormula
MolecularFormula.setProperties(java.util.Map<java.lang.Object, java.lang.Object>)
public Object getProperty(Object description)
MolecularFormula
getProperty
in interface IMolecularFormula
getProperty
in class MolecularFormula
description
- An object description of the property (most likely a
unique string)MolecularFormula.setProperty(java.lang.Object, java.lang.Object)
,
MolecularFormula.removeProperty(java.lang.Object)
public Iterable<IIsotope> isotopes()
MolecularFormula
isotopes
in interface IMolecularFormula
isotopes
in class MolecularFormula
public void removeAllIsotopes()
MolecularFormula
removeAllIsotopes
in interface IMolecularFormula
removeAllIsotopes
in class MolecularFormula
public void removeIsotope(IIsotope isotope)
MolecularFormula
removeIsotope
in interface IMolecularFormula
removeIsotope
in class MolecularFormula
isotope
- The IIsotope to be removedpublic void removeProperty(Object description)
MolecularFormula
removeProperty
in interface IMolecularFormula
removeProperty
in class MolecularFormula
description
- The object description of the property (most likely a
unique string)MolecularFormula.setProperty(java.lang.Object, java.lang.Object)
,
MolecularFormula.getProperty(java.lang.Object)
public void setCharge(Integer charge)
MolecularFormula
setCharge
in interface IMolecularFormula
setCharge
in class MolecularFormula
charge
- The partial chargeMolecularFormula.getCharge()
public void setProperties(Map<Object,Object> properties)
MolecularFormula
setProperties
in interface IMolecularFormula
setProperties
in class MolecularFormula
properties
- a Hashtable specifying the property valuesMolecularFormula.getProperties()
public void setProperty(Object description, Object property)
MolecularFormula
setProperty
in interface IMolecularFormula
setProperty
in class MolecularFormula
description
- An object description of the property (most likely a
unique string)property
- An object with the property itselfMolecularFormula.getProperty(java.lang.Object)
,
MolecularFormula.removeProperty(java.lang.Object)
public IChemObjectBuilder getBuilder()
ICDKObject
IChemObjectBuilder
for the data classes that extend
this class.getBuilder
in interface ICDKObject
getBuilder
in class MolecularFormula
IChemObjectBuilder
matching this ICDKObject