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Class: EnergyTerm


    Energy potential term used in Nmr simulation run
Attributes
Link Attributes
Attribute Methods
Link Attribute Methods
Class Methods
Factory Methods
Other Methods
Appendix

Inheritance:


Details:

Parent: link run to class Run
Main key: serial
Mandatory Attributes: None
Known Subclasses: None
Children:
link energyTermParameters to class EnergyTermParameter
Constructor: newObj = EnergyTerm( run, ... )

Attributes (in package)

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Attribute Type Multiplicity Description
annealEnergyTermSerial Int 0..1 Serial of AnnealProtocol.EnergyTerm.serial associated with this EnergyTerm. Part of key for derived link annealEnergyTerm  
code Word 0..1 Unique identifier for the parameter within the context of the application being run  
details Text 0..1 Free text, for notes, explanatory comments, etc.  
groupId Int 0..1 Integer, grouping related parameters within the context of the application being run  
ioRole IoRole 1..1 Role of data in calculation (input / output).  
name Line 0..1 Human readable name of parameter  
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 FloatRatio 1..1 Weight given to data  

Inherited Attributes (not in package): applicationDataclassNamefieldNamesinConstructorisDeletedmetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

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Attribute Type Multiplicity Description
annealEnergyTerm molsim.api.AnnealProtocol.EnergyTerm 0..1 Derived. AnnealProtocol.EnergyTerm that corresponds to EnergyTerm  
constraintLists ccp.api.nmr.NmrConstraint.AbstractConstraintList 0..* Constraint lists used in RestraintGroup  
energyTermParameters EnergyTermParameter 0..* (Child link). child link to class EnergyTermParameter  
parent Run 1..1 link to parent object - synonym for run  
run Run 1..1 (Parent link). parent link  
runParameters RunParameter 0..* parameters that refer to unit of data.  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
annealEnergyTermSerial
getAnnealEnergyTermSerial Int -
setAnnealEnergyTermSerial - Int
code
getCode Word -
setCode - Word
details
getDetails Text -
setDetails - Text
groupId
getGroupId Int -
setGroupId - Int
ioRole
getIoRole IoRole -
setIoRole - IoRole
name
getName Line -
setName - Line
serial
getSerial Int -
setSerial - Int
weight
getWeight FloatRatio -
setWeight - FloatRatio

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
annealEnergyTerm
getAnnealEnergyTerm molsim.api.AnnealProtocol.EnergyTerm - non-std.
setAnnealEnergyTerm - molsim.api.AnnealProtocol.EnergyTerm non-std.
constraintLists
getConstraintLists ccp.api.nmr.NmrConstraint.AbstractConstraintList Set -
setConstraintLists - ccp.api.nmr.NmrConstraint.AbstractConstraintList Set
sortedConstraintLists ccp.api.nmr.NmrConstraint.AbstractConstraintList List -
addConstraintList - ccp.api.nmr.NmrConstraint.AbstractConstraintList
removeConstraintList - ccp.api.nmr.NmrConstraint.AbstractConstraintList
findFirstConstraintList ccp.api.nmr.NmrConstraint.AbstractConstraintList keyword=value pairs
findAllConstraintLists ccp.api.nmr.NmrConstraint.AbstractConstraintList Set keyword=value pairs
energyTermParameters
getEnergyTermParameters EnergyTermParameter Set -
sortedEnergyTermParameters EnergyTermParameter List -
findFirstEnergyTermParameter EnergyTermParameter keyword=value pairs
findAllEnergyTermParameters EnergyTermParameter Set keyword=value pairs
parent
getParent Run -
run
getRun Run -
runParameters
getRunParameters RunParameter Set -
setRunParameters - RunParameter Set
sortedRunParameters RunParameter List -
addRunParameter - RunParameter
removeRunParameter - RunParameter
findFirstRunParameter RunParameter keyword=value pairs
findAllRunParameters RunParameter Set keyword=value pairs

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey EnergyTerm 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
newEnergyTermParameter EnergyTermParameter code, value, ...

Other Methods (in package)

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Method Return Parameters Comment
None

Appendix

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guid:

www.ccpn.ac.uk_Fogh_2010-05-18-17:35:44_00001

isImplicit:

False

Tag

Value
repositoryId $Id: EnergyTerm.xml,v 1.4 2011-01-13 14:40:35 rhfogh Exp $

Tag

Value
repositoryTag $Name: not supported by cvs2svn $

Special constructor code:

None

Special destructor code:

None

Constraints:

None
Known inward one-way links: None
  Data Model Version 2.0.6
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  Autogenerated by  PyApiDocGen  revision 1.3   on  Wed Aug 7 15:07:00 2013    from data model package  ccp.api.nmr.NmrCalc.EnergyTerm   revision 1.4  
  Work done by the CCPN team.
www.ccpn.ac.uk