Data Model version 2.1.2
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Class: RdcConstraint


    Reduced dipolar coupling constraint. Ambiguous, may contain several RdcConstraintItems, each with a different assignment, describing alternative assignment possibilities.
Attributes
Link Attributes
Attribute Methods
Link Attribute Methods
Class Methods
Factory Methods
Other Methods
Appendix

Inheritance:


Details:

Parent: link parentList to class RdcConstraintList
Main key: serial
Mandatory Attributes: None
Known Subclasses: None
Children:
link items to class RdcConstraintItem
link peakContribs to class ConstraintPeakContrib
Constructor: newObj = RdcConstraint( parentList, ... )

Attributes (in package)

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Attribute Type Multiplicity Description
details Text 0..1 Free text, for notes, explanatory comments, etc.  
error Float 0..1 Uncertainty (standard deviation) of targetValue.  
lowerLimit Float 0..1 Minimum allowed value of constrained parameter. If set, energy penalty is zero for values above lowerLimit.  
origData Float 0..1 Value of original measurement that gave rise to Constraint. E.g. Crosspeak Intensity or Volume (for a distance constraint), Coupling Constant (In Hz) for a dihedral constraint, etc. Provided to cater for structure generation programs that keep this kind of information in their constraint lists.  
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  
targetValue Float 0..1 Desired value of constrained parameter  
upperLimit Float 0..1 Maximum allowed value of constrained parameter  
vectorLength PositiveFloat 0..1 Length of vector betwen coupled atoms - in Angstrom  
weight NonNegativeFloat 1..1 Relative weight of constraint in constraint list  

Inherited Attributes (not in package): applicationDataclassNamefieldNamesinConstructorisDeletedmetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

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Attribute Type Multiplicity Description
constraintGroups ConstraintGroup 0..* Constraint groups that constraint takes part in  
items RdcConstraintItem 0..* (Child link). child link to class RdcConstraintItem  
method ccp.api.general.Method.Method 0..1 Method used to calculate Constraint. Overrides any Method attached to parent ConstraintList.  
nmrConstraintValidations ccp.api.molecule.Validation.NmrConstraintValidation 0..* Validation results that include AbstractConstraint  
parent RdcConstraintList 1..1 link to parent object - synonym for parentList  
parentList RdcConstraintList 1..1 (Parent link). parent link  
peakContribs ConstraintPeakContrib 0..* (Child link). child link to class ConstraintPeakContrib  
peaks ccp.api.nmr.Nmr.Peak 0..* Derived. peaks used in derivation of AbstractConstraint.  
violations Violation 0..* Violation of Constraint in a given structure or set of structures.  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
details
getDetails Text -
setDetails - Text
error
getError Float -
setError - Float
lowerLimit
getLowerLimit Float -
setLowerLimit - Float
origData
getOrigData Float -
setOrigData - Float
serial
getSerial Int -
setSerial - Int
targetValue
getTargetValue Float -
setTargetValue - Float
upperLimit
getUpperLimit Float -
setUpperLimit - Float
vectorLength
getVectorLength PositiveFloat -
setVectorLength - PositiveFloat
weight
getWeight NonNegativeFloat -
setWeight - NonNegativeFloat

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
constraintGroups
getConstraintGroups ConstraintGroup Set -
setConstraintGroups - ConstraintGroup Set
sortedConstraintGroups ConstraintGroup List -
addConstraintGroup - ConstraintGroup
removeConstraintGroup - ConstraintGroup
findFirstConstraintGroup ConstraintGroup keyword=value pairs
findAllConstraintGroups ConstraintGroup Set keyword=value pairs
items
getItems RdcConstraintItem Set -
sortedItems RdcConstraintItem List -
findFirstItem RdcConstraintItem keyword=value pairs
findAllItems RdcConstraintItem Set keyword=value pairs
method
getMethod ccp.api.general.Method.Method -
setMethod - ccp.api.general.Method.Method
nmrConstraintValidations
getNmrConstraintValidations ccp.api.molecule.Validation.NmrConstraintValidation Set -
setNmrConstraintValidations - ccp.api.molecule.Validation.NmrConstraintValidation Set
sortedNmrConstraintValidations ccp.api.molecule.Validation.NmrConstraintValidation List -
addNmrConstraintValidation - ccp.api.molecule.Validation.NmrConstraintValidation
removeNmrConstraintValidation - ccp.api.molecule.Validation.NmrConstraintValidation
findFirstNmrConstraintValidation ccp.api.molecule.Validation.NmrConstraintValidation keyword=value pairs
findAllNmrConstraintValidations ccp.api.molecule.Validation.NmrConstraintValidation Set keyword=value pairs
parent
getParent RdcConstraintList -
parentList
getParentList RdcConstraintList -
peakContribs
getPeakContribs ConstraintPeakContrib Set -
sortedPeakContribs ConstraintPeakContrib List -
findFirstPeakContrib ConstraintPeakContrib keyword=value pairs
findAllPeakContribs ConstraintPeakContrib Set keyword=value pairs
peaks
getPeaks ccp.api.nmr.Nmr.Peak Set - non-std.
setPeaks - ccp.api.nmr.Nmr.Peak Set non-std.
sortedPeaks ccp.api.nmr.Nmr.Peak List -
addPeak - ccp.api.nmr.Nmr.Peak non-std.
removePeak - ccp.api.nmr.Nmr.Peak non-std.
findFirstPeak ccp.api.nmr.Nmr.Peak keyword=value pairs
findAllPeaks ccp.api.nmr.Nmr.Peak Set keyword=value pairs
violations
getViolations Violation Set -
setViolations - Violation Set
sortedViolations Violation List -
findFirstViolation Violation keyword=value pairs
findAllViolations Violation Set keyword=value pairs

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey RdcConstraint 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
newConstraintPeakContrib ConstraintPeakContrib dataSourceSerial, experimentSerial, peakListSerial, peakSerial, ...
newRdcConstraintItem RdcConstraintItem resonances, ...

Other Methods (in package)

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Method Return Parameters Comment
None

Appendix

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guid:

www.ccpn.ac.uk_Fogh_2006-08-16-14:22:51_00028

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  Thu Oct 2 16:09:45 2014    from data model package  ccp.api.nmr.NmrConstraint.RdcConstraint   revision ?  
  Work done by the CCPN team.
www.ccpn.ac.uk