Data Model version 2.1.2
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Class: NmrConstraintStore


    Collection of Nmr constraints used together, and associated information. This class serves as TopObject.
Attributes
Link Attributes
Attribute Methods
Link Attribute Methods
Class Methods
Factory Methods
Other Methods
Appendix

Inheritance:


Details:

Parent: link memopsRoot to class memops.api.Implementation.MemopsRoot
Main key: serial
Mandatory Attributes: nmrProject
Partitions Children: True
Known Subclasses: None
Children:
link conditionStates to class ConditionState
link constraintGroups to class ConstraintGroup
link constraintLists to class AbstractConstraintList
link fixedAtomSets to class FixedAtomSet
link fixedResonanceSets to class FixedResonanceSet
link fixedResonances to class FixedResonance
link resStructures to class ResStructure
link violationLists to class ViolationList
Constructor: newObj = NmrConstraintStore( memopsRoot,nmrProject=value, ... )

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  

Inherited Attributes (not in package): applicationDataclassNamecreatedByfieldNamesguidinConstructorisDeletedisLoadedisModifiableisModifiedisReadinglastUnlockedBymetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

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Attribute Type Multiplicity Description
additionalStructureAnalyses ccp.api.nmr.Nmr.StructureAnalysis 0..* STructureAnaylsis that use the NmrConstraintStore for additional data  
analysisLayouts ccpnmr.api.AnalysisV3.AnalysisLayout 0..* AnalysisLayouts referring NmrConstraintStore  
analysisPanels ccpnmr.api.AnalysisV3.AnalysisPanel 0..* AnalysisPanelss referring NmrConstraintStore  
chainStates ccp.api.nmr.Nmr.ChainState 0..* The ChainState of a NmrConstraintStore describes assumptions made during the generation process. For example, if you have two different conformational states of a molecule giving rise to two different sets of restraints, you would select the restraint set corresponding to state A and put in the appropriate link here to reflect it. Note that this link does *not* reflect the conformations actually observed. This link is not for annotating structures.  
conditionStates ConditionState 0..* (Child link). child link to class ConditionState  
constraintGroups ConstraintGroup 0..* (Child link). child link to class ConstraintGroup  
constraintLists AbstractConstraintList 0..* (Child link). child link to class AbstractConstraintList  
dangleChains cambridge.api.Dangle.DangleChain 0..* Dangle predictions that have exported constraints to the ConstaintSet  
fixedAtomSets FixedAtomSet 0..* (Child link). child link to class FixedAtomSet  
fixedResonanceSets FixedResonanceSet 0..* (Child link). child link to class FixedResonanceSet  
fixedResonances FixedResonance 0..* (Child link). child link to class FixedResonance  
memopsRoot memops.api.Implementation.MemopsRoot 1..1 (Parent link). parent link  
nmrProject ccp.api.nmr.Nmr.NmrProject 1..1 NmrProject to which the NmrConstraintStore refers  
parent memops.api.Implementation.MemopsRoot 1..1 link to parent object - synonym for memopsRoot  
resStructures ResStructure 0..* (Child link). ResStructures generated in StructureGeneration run.  
structureAnalyses ccp.api.nmr.Nmr.StructureAnalysis 0..* StructureAnalyses that user NmrConstraintStore as proimary set of restraints  
structureGenerations ccp.api.nmr.Nmr.StructureGeneration 0..* StructureGenerations run with constraints held by NmrConstraintStore  
validationStores ccp.api.molecule.Validation.ValidationStore 0..* NmrConstraintStores relevant to NmrProject  
violationLists ViolationList 0..* (Child link). child link to class ViolationList  

Inherited Attributes (not in package): accessactiveAccessactiveRepositoriespackageLocatorroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
serial
getSerial Int -
setSerial - Int

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
additionalStructureAnalyses
getAdditionalStructureAnalyses ccp.api.nmr.Nmr.StructureAnalysis Set -
setAdditionalStructureAnalyses - ccp.api.nmr.Nmr.StructureAnalysis Set
sortedAdditionalStructureAnalyses ccp.api.nmr.Nmr.StructureAnalysis List -
addAdditionalStructureAnalysis - ccp.api.nmr.Nmr.StructureAnalysis
removeAdditionalStructureAnalysis - ccp.api.nmr.Nmr.StructureAnalysis
findFirstAdditionalStructureAnalysis ccp.api.nmr.Nmr.StructureAnalysis keyword=value pairs
findAllAdditionalStructureAnalyses ccp.api.nmr.Nmr.StructureAnalysis Set keyword=value pairs
analysisLayouts
getAnalysisLayouts ccpnmr.api.AnalysisV3.AnalysisLayout Set -
setAnalysisLayouts - ccpnmr.api.AnalysisV3.AnalysisLayout Set
sortedAnalysisLayouts ccpnmr.api.AnalysisV3.AnalysisLayout List -
addAnalysisLayout - ccpnmr.api.AnalysisV3.AnalysisLayout
removeAnalysisLayout - ccpnmr.api.AnalysisV3.AnalysisLayout
findFirstAnalysisLayout ccpnmr.api.AnalysisV3.AnalysisLayout keyword=value pairs
findAllAnalysisLayouts ccpnmr.api.AnalysisV3.AnalysisLayout Set keyword=value pairs
analysisPanels
getAnalysisPanels ccpnmr.api.AnalysisV3.AnalysisPanel Set -
setAnalysisPanels - ccpnmr.api.AnalysisV3.AnalysisPanel Set
sortedAnalysisPanels ccpnmr.api.AnalysisV3.AnalysisPanel List -
addAnalysisPanel - ccpnmr.api.AnalysisV3.AnalysisPanel
removeAnalysisPanel - ccpnmr.api.AnalysisV3.AnalysisPanel
findFirstAnalysisPanel ccpnmr.api.AnalysisV3.AnalysisPanel keyword=value pairs
findAllAnalysisPanels ccpnmr.api.AnalysisV3.AnalysisPanel Set keyword=value pairs
chainStates
getChainStates ccp.api.nmr.Nmr.ChainState Set -
setChainStates - ccp.api.nmr.Nmr.ChainState Set
sortedChainStates ccp.api.nmr.Nmr.ChainState List -
addChainState - ccp.api.nmr.Nmr.ChainState
removeChainState - ccp.api.nmr.Nmr.ChainState
findFirstChainState ccp.api.nmr.Nmr.ChainState keyword=value pairs
findAllChainStates ccp.api.nmr.Nmr.ChainState Set keyword=value pairs
conditionStates
getConditionStates ConditionState Set -
sortedConditionStates ConditionState List -
findFirstConditionState ConditionState keyword=value pairs
findAllConditionStates ConditionState Set keyword=value pairs
constraintGroups
getConstraintGroups ConstraintGroup Set -
sortedConstraintGroups ConstraintGroup List -
findFirstConstraintGroup ConstraintGroup keyword=value pairs
findAllConstraintGroups ConstraintGroup Set keyword=value pairs
constraintLists
getConstraintLists AbstractConstraintList Set -
sortedConstraintLists AbstractConstraintList List -
findFirstConstraintList AbstractConstraintList keyword=value pairs
findAllConstraintLists AbstractConstraintList Set keyword=value pairs
dangleChains
getDangleChains cambridge.api.Dangle.DangleChain Set -
setDangleChains - cambridge.api.Dangle.DangleChain Set
sortedDangleChains cambridge.api.Dangle.DangleChain List -
addDangleChain - cambridge.api.Dangle.DangleChain
removeDangleChain - cambridge.api.Dangle.DangleChain
findFirstDangleChain cambridge.api.Dangle.DangleChain keyword=value pairs
findAllDangleChains cambridge.api.Dangle.DangleChain Set keyword=value pairs
fixedAtomSets
getFixedAtomSets FixedAtomSet Set -
sortedFixedAtomSets FixedAtomSet List -
findFirstFixedAtomSet FixedAtomSet keyword=value pairs
findAllFixedAtomSets FixedAtomSet Set keyword=value pairs
fixedResonanceSets
getFixedResonanceSets FixedResonanceSet Set -
sortedFixedResonanceSets FixedResonanceSet List -
findFirstFixedResonanceSet FixedResonanceSet keyword=value pairs
findAllFixedResonanceSets FixedResonanceSet Set keyword=value pairs
fixedResonances
getFixedResonances FixedResonance Set -
sortedFixedResonances FixedResonance List -
findFirstFixedResonance FixedResonance keyword=value pairs
findAllFixedResonances FixedResonance Set keyword=value pairs
memopsRoot
getMemopsRoot memops.api.Implementation.MemopsRoot -
nmrProject
getNmrProject ccp.api.nmr.Nmr.NmrProject -
setNmrProject - ccp.api.nmr.Nmr.NmrProject
parent
getParent memops.api.Implementation.MemopsRoot -
resStructures
getResStructures ResStructure Set -
sortedResStructures ResStructure List -
findFirstResStructure ResStructure keyword=value pairs
findAllResStructures ResStructure Set keyword=value pairs
structureAnalyses
getStructureAnalyses ccp.api.nmr.Nmr.StructureAnalysis Set -
setStructureAnalyses - ccp.api.nmr.Nmr.StructureAnalysis Set
sortedStructureAnalyses ccp.api.nmr.Nmr.StructureAnalysis List -
addStructureAnalysis - ccp.api.nmr.Nmr.StructureAnalysis
removeStructureAnalysis - ccp.api.nmr.Nmr.StructureAnalysis
findFirstStructureAnalysis ccp.api.nmr.Nmr.StructureAnalysis keyword=value pairs
findAllStructureAnalyses ccp.api.nmr.Nmr.StructureAnalysis Set keyword=value pairs
structureGenerations
getStructureGenerations ccp.api.nmr.Nmr.StructureGeneration Set -
setStructureGenerations - ccp.api.nmr.Nmr.StructureGeneration Set
sortedStructureGenerations ccp.api.nmr.Nmr.StructureGeneration List -
addStructureGeneration - ccp.api.nmr.Nmr.StructureGeneration
removeStructureGeneration - ccp.api.nmr.Nmr.StructureGeneration
findFirstStructureGeneration ccp.api.nmr.Nmr.StructureGeneration keyword=value pairs
findAllStructureGenerations ccp.api.nmr.Nmr.StructureGeneration Set keyword=value pairs
validationStores
getValidationStores ccp.api.molecule.Validation.ValidationStore Set -
setValidationStores - ccp.api.molecule.Validation.ValidationStore Set
sortedValidationStores ccp.api.molecule.Validation.ValidationStore List -
addValidationStore - ccp.api.molecule.Validation.ValidationStore
removeValidationStore - ccp.api.molecule.Validation.ValidationStore
findFirstValidationStore ccp.api.molecule.Validation.ValidationStore keyword=value pairs
findAllValidationStores ccp.api.molecule.Validation.ValidationStore Set keyword=value pairs
violationLists
getViolationLists ViolationList Set -
sortedViolationLists ViolationList List -
findFirstViolationList ViolationList keyword=value pairs
findAllViolationLists ViolationList Set keyword=value pairs

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey NmrConstraintStore memops.api.Implementation.MemopsRoot, 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
newChemShiftConstraintList ChemShiftConstraintList ...
newConditionState ConditionState ...
newConstraintGroup ConstraintGroup ...
newCsaConstraintList CsaConstraintList ...
newDihedralConstraintList DihedralConstraintList ...
newDistanceConstraintList DistanceConstraintList ...
newFixedAtomSet FixedAtomSet atoms, ...
newFixedResonance FixedResonance isotopeCode, ...
newFixedResonanceSet FixedResonanceSet atomSets, resonances, ...
newHBondConstraintList HBondConstraintList ...
newJCouplingConstraintList JCouplingConstraintList ...
newRdcConstraintList RdcConstraintList ...
newResStructure ResStructure ...
newViolationList ViolationList ...

Other Methods (in package)

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Method Return Parameters Comment
None

Appendix

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guid:

www.ccpn.ac.uk_Fogh_2006-08-16-14:22:48_00014

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.nmr.NmrCalc.ConstraintStoreData.nmrConstraintStorememops.api.Implementation.MemopsRoot.currentNmrConstraintStoreutrecht.api.Haddock.Run.nmrConstraintStore
  Data Model Version 2.1.2
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  Autogenerated by  PyApiDocGen  revision 1.3   on  Mon Mar 2 17:25:05 2015    from data model package  ccp.api.nmr.NmrConstraint.NmrConstraintStore   revision ?  
  Work done by the CCPN team.
www.ccpn.ac.uk