Data Model version 2.1.2
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Class: Isotopomer


    Isotopomer. A component of the species mixture with a defined uncorrelated isotope distribution on its atoms.
Attributes
Link Attributes
Attribute Methods
Link Attribute Methods
Class Methods
Factory Methods
Other Methods
Appendix

Inheritance:


Details:

Parent: link chemCompLabel to class ChemCompLabel
Main key: serial
Mandatory Attributes: None
Known Subclasses: None
Children:
link atomLabels to class AtomLabel
Constructor: newObj = Isotopomer( chemCompLabel, ... )

Attributes (in package)

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Attribute Type Multiplicity Description
serial Int 1..1 Serial number of object. Serves as object main key. Serial numbers of deleted objects are not re-used. Serial numbers can only be set by the implementation. Values are in practice always positive, since negative values are interpreted as a signal to set the next free serial  
weight NonNegativeFloat 1..1 Relative weight of total that isotopomer makes up.  

Inherited Attributes (not in package): applicationDataclassNamefieldNamesinConstructorisDeletedmetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

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Attribute Type Multiplicity Description
atomLabels AtomLabel 0..* (Child link). child link to class AtomLabel  
chemCompLabel ChemCompLabel 1..1 (Parent link). parent link  
parent ChemCompLabel 1..1 link to parent object - synonym for chemCompLabel  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
serial
getSerial Int -
setSerial - Int
weight
getWeight NonNegativeFloat -
setWeight - NonNegativeFloat

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
atomLabels
getAtomLabels AtomLabel Set -
sortedAtomLabels AtomLabel List -
findFirstAtomLabel AtomLabel keyword=value pairs
findAllAtomLabels AtomLabel Set keyword=value pairs
chemCompLabel
getChemCompLabel ChemCompLabel -
parent
getParent ChemCompLabel -

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey Isotopomer memops.api.Implementation.MemopsObject, Any List static
getFullKey Any List Boolean
getLocalKey Any -
get Any String
set - String, Any

Factory Methods (in package)

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Method Return Parameters
newAtomLabel AtomLabel isotopeCode, name, ...

Other Methods (in package)

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Method Return Parameters Comment
None

Appendix

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guid:

www.ccpn.ac.uk_Fogh_2006-10-24-11:28:54_00001

isImplicit:

False

Tag

Value
repositoryId $Id: $

Tag

Value
repositoryTag $Name: $

Special constructor code:

None

Special destructor code:

None

Special postDestructor code:

None

Constraints:

None
Known inward one-way links: ccp.api.molecule.LabeledMolecule.ResLabelFraction.isotopomers
  Data Model Version 2.1.2
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  Autogenerated by  PyApiDocGen  revision 1.3   on  Mon Mar 2 17:24:33 2015    from data model package  ccp.api.molecule.ChemCompLabel.Isotopomer   revision ?  
  Work done by the CCPN team.
www.ccpn.ac.uk