Data Model version 2.1.2
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Class: AnnealStage


    Annealing stage - one of several consecutive stges.
Attributes
Link Attributes
Attribute Methods
Link Attribute Methods
Class Methods
Factory Methods
Other Methods
Appendix

Inheritance:


Details:

Parent: link annealProtocol to class AnnealProtocol
Main key: serial
Mandatory Attributes: numSteps
Known Subclasses: None
Children: None
Constructor: newObj = AnnealStage( annealProtocol,numSteps=value, ... )

Attributes (in package)

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Attribute Type Multiplicity Description
finalTemp NonNegativeFloat 0..1 Final temperature in degrees K.  
function ScaleFunction 1..1 Function used for varying temperature. See ScaleFunction data type for details.  
functionParams Float 0..* Parameters for the temperature varying function. Their number and meaning depends on the value of 'function'.  
initialTemp NonNegativeFloat 0..1 Initial temperature in degrees K.  
name Line 0..1 name of stage  
numSteps PositiveInt 1..1 Number of annealing steps  
numSubSteps PositiveInt 0..1 Number of substeps (e.g. Molecular dynamics steps) for each main step  
serial Int 1..1 Serial number of stage. Set autoamtically. Defines temporal order of stages.  
timeStep PositiveFloat 0..1 Time step in seconds  
timeStepScaling PositiveFloat 0..1 Scling factor aplied to time step. Used in certain protocols such as CNS torsion angle dynamics. The actual timestep is self.timestep*seld.timeStepScaling. Default value is 1.0.  

Inherited Attributes (not in package): applicationDataclassNamefieldNamesinConstructorisDeletedmetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

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Attribute Type Multiplicity Description
annealProtocol AnnealProtocol 1..1 (Parent link). parent link  
parent AnnealProtocol 1..1 link to parent object - synonym for annealProtocol  
potentialScales PotentialScale 0..* PotentialScales in use at this AnnealStage  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
finalTemp
getFinalTemp NonNegativeFloat -
setFinalTemp - NonNegativeFloat
function
getFunction ScaleFunction -
setFunction - ScaleFunction
functionParams
getFunctionParams Float Tuple -
setFunctionParams - Float List
addFunctionParam - Float
removeFunctionParam - Float
initialTemp
getInitialTemp NonNegativeFloat -
setInitialTemp - NonNegativeFloat
name
getName Line -
setName - Line
numSteps
getNumSteps PositiveInt -
setNumSteps - PositiveInt
numSubSteps
getNumSubSteps PositiveInt -
setNumSubSteps - PositiveInt
serial
getSerial Int -
setSerial - Int
timeStep
getTimeStep PositiveFloat -
setTimeStep - PositiveFloat
timeStepScaling
getTimeStepScaling PositiveFloat -
setTimeStepScaling - PositiveFloat

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
annealProtocol
getAnnealProtocol AnnealProtocol -
parent
getParent AnnealProtocol -
potentialScales
getPotentialScales PotentialScale Set -
setPotentialScales - PotentialScale Set
sortedPotentialScales PotentialScale List -
findFirstPotentialScale PotentialScale keyword=value pairs
findAllPotentialScales PotentialScale Set keyword=value pairs

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey AnnealStage 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
None

Other Methods (in package)

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Method Return Parameters Comment
None

Appendix

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guid:

www.ccpn.ac.uk_Fogh_2007-06-05-13:42:05_00005

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: None
  Data Model Version 2.1.2
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  Autogenerated by  PyApiDocGen  revision 1.3   on  Mon Mar 2 17:24:43 2015    from data model package  molsim.api.AnnealProtocol.AnnealStage   revision ?  
  Work done by the CCPN team.
www.ccpn.ac.uk