Data Model version 2.1.2
Acknowledgements
Diagram | Class Map | Attribute Map | Method Map | Help | License
Home | Package | Class: { prev | next } | Attribute | Method

Class: ResonanceGroup


    Group of Resonances belonging within the same Residue. Serves to organise Resonances that have not yet been assigned, and to set Residue types, (sequential) neighbours, Residues and their probabilities for an entire group without necesarily assigning the individual Resonances. Coherence between ResonanceGroup (probable) assignments and assignments of Resonances to Atoms are not checked by the API software. In case of conflicts the assignment of the Resonance should take precedence over any information carried by the ResonanceGroup, in accordance with the status of the ResonanceGroup as a vehicle for tentative assignments.
Attributes
Link Attributes
Attribute Methods
Link Attribute Methods
Class Methods
Factory Methods
Other Methods
Appendix

Inheritance:


Details:

Parent: link nmrProject to class NmrProject
Main key: serial
Mandatory Attributes: None
Known Subclasses: None
Children:
link residueProbs to class ResidueProb
link residueTypeProbs to class ResidueTypeProb
link resonanceGroupProbs to class ResonanceGroupProb
Constructor: newObj = ResonanceGroup( nmrProject, ... )

Attributes (in package)

Go to Top
Attribute Type Multiplicity Description
ccpCode LongWord 0..1 ccpCode ('threeLetterCode') identifying the ChemComp giving the type of the ResonanceGroup. Used as a key in deriving the link chemComp.  
clusterCode Line 0..1 Code that clusters resonanceGroups. Intended to group ResonanceGroups output from the same assignment calculation run.  
descriptor Line 0..1 String describing the precise form of the ChemCompVar giving the type of the ResonanceGroup. Used as a key in deriving the link chemCompVar.  
details Page 0..1 Free text, for notes, explanatory comments, etc.  
isActive Boolean 1..1 Is ResonanceGroup Active? Only active resonanceGroups are used for actual assignment (and may have chains, residue, and resonances links)  
linking ccp.api.molecule.ChemComp.ChemCompLinking 0..1 String describing the linking of the ChemComp giving the type of the ResonanceGroup. Used as a key in deriving the link chemCompVar.  
molType ccp.api.molecule.ChemComp.MolType 0..1 String describing the molecule type of the ChemComp giving the type of the ResonanceGroup. Used as a key in deriving the link chemComp.  
name Line 0..1 Name of ResonanceGroup. Freely modifiable.  
secStrucCode ccp.api.molecule.Molecule.SecStrucCode 0..1 Code for secondary structure assigned to ResonanceGroup.  
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): applicationDataclassNamefieldNamesinConstructorisDeletedmetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

Go to Top
Attribute Type Multiplicity Description
analysisLayouts ccpnmr.api.AnalysisV3.AnalysisLayout 0..* AnalysisLayouts referring to ResonanceGroups  
analysisPanels ccpnmr.api.AnalysisV3.AnalysisPanel 0..* AnalysisPanels referring to ResonanceGroups  
chains ccp.api.molecule.MolSystem.Chain 0..* Chains to which ResonanceGroup may belong  
chemComp ccp.api.molecule.ChemComp.ChemComp 0..1 Derived. ChemComp corresponding to ResonanceGroup  
chemCompVar ccp.api.molecule.ChemComp.ChemCompVar 0..1 Derived. ChemCompVar corresponding to ResonanceGroup  
fromResonanceGroups ResonanceGroupProb 0..* ResonanceGroupProbs describing linking probabilities to this Resonance  
nmrProject NmrProject 1..1 (Parent link). parent link  
parent NmrProject 1..1 link to parent object - synonym for nmrProject  
residue ccp.api.molecule.MolSystem.Residue 0..1 Residue to which ResonanceGroup definitely belongs. In case of conflict, this link overrides conflicting ResidueType or Residue probabilities.  
residueProbs ResidueProb 0..* (Child link). ResidueProbs describing residues that probably correspond to the ResonanceGroup.  
residueTypeProbs ResidueTypeProb 0..* (Child link). ResidueTypeProbs describing probable ChemComp types of ResonanceGroup  
resonanceGroupProbs ResonanceGroupProb 0..* (Child link). ResonanceGroupProbs describing probable links from (owned by) this ResonanceGroup.  
resonanceProbs ResonanceProb 0..* ResonanceProbs describing Resonances that have a probability of belonging to this ResonanceGroup  
resonances Resonance 0..* Resonances belonging to ResonanceGroup. This link overrides any conflicting ResonanceProbs.  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

Go to Top
Attribute Method Return Parameters Comment
ccpCode
getCcpCode LongWord -
setCcpCode - LongWord
clusterCode
getClusterCode Line -
setClusterCode - Line
descriptor
getDescriptor Line -
setDescriptor - Line
details
getDetails Page -
setDetails - Page
isActive
getIsActive Boolean -
setIsActive - Boolean
linking
getLinking ccp.api.molecule.ChemComp.ChemCompLinking -
setLinking - ccp.api.molecule.ChemComp.ChemCompLinking
molType
getMolType ccp.api.molecule.ChemComp.MolType -
setMolType - ccp.api.molecule.ChemComp.MolType
name
getName Line -
setName - Line
secStrucCode
getSecStrucCode ccp.api.molecule.Molecule.SecStrucCode -
setSecStrucCode - ccp.api.molecule.Molecule.SecStrucCode
serial
getSerial Int -
setSerial - Int

Link Attribute Methods (in package)

Go to Top
Attribute Method Return Parameters Comment
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
chains
getChains ccp.api.molecule.MolSystem.Chain Set -
setChains - ccp.api.molecule.MolSystem.Chain Set
sortedChains ccp.api.molecule.MolSystem.Chain List -
addChain - ccp.api.molecule.MolSystem.Chain
removeChain - ccp.api.molecule.MolSystem.Chain
findFirstChain ccp.api.molecule.MolSystem.Chain keyword=value pairs
findAllChains ccp.api.molecule.MolSystem.Chain Set keyword=value pairs
chemComp
getChemComp ccp.api.molecule.ChemComp.ChemComp - non-std.
chemCompVar
getChemCompVar ccp.api.molecule.ChemComp.ChemCompVar - non-std.
fromResonanceGroups
getFromResonanceGroups ResonanceGroupProb Set -
setFromResonanceGroups - ResonanceGroupProb Set
sortedFromResonanceGroups ResonanceGroupProb List -
findFirstFromResonanceGroup ResonanceGroupProb keyword=value pairs
findAllFromResonanceGroups ResonanceGroupProb Set keyword=value pairs
nmrProject
getNmrProject NmrProject -
parent
getParent NmrProject -
residue
getResidue ccp.api.molecule.MolSystem.Residue -
setResidue - ccp.api.molecule.MolSystem.Residue
residueProbs
getResidueProbs ResidueProb Set -
sortedResidueProbs ResidueProb List -
findFirstResidueProb ResidueProb keyword=value pairs
findAllResidueProbs ResidueProb Set keyword=value pairs
residueTypeProbs
getResidueTypeProbs ResidueTypeProb Set -
sortedResidueTypeProbs ResidueTypeProb List -
findFirstResidueTypeProb ResidueTypeProb keyword=value pairs
findAllResidueTypeProbs ResidueTypeProb Set keyword=value pairs
resonanceGroupProbs
getResonanceGroupProbs ResonanceGroupProb Set -
sortedResonanceGroupProbs ResonanceGroupProb List -
findFirstResonanceGroupProb ResonanceGroupProb keyword=value pairs
findAllResonanceGroupProbs ResonanceGroupProb Set keyword=value pairs
resonanceProbs
getResonanceProbs ResonanceProb Set -
setResonanceProbs - ResonanceProb Set
sortedResonanceProbs ResonanceProb List -
findFirstResonanceProb ResonanceProb keyword=value pairs
findAllResonanceProbs ResonanceProb Set keyword=value pairs
resonances
getResonances Resonance Set -
setResonances - Resonance Set
sortedResonances Resonance List -
addResonance - Resonance
removeResonance - Resonance
findFirstResonance Resonance keyword=value pairs
findAllResonances Resonance Set keyword=value pairs

Class Methods (in package)

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

Factory Methods (in package)

Go to Top
Method Return Parameters
newResidueProb ResidueProb possibility, ...
newResidueTypeProb ResidueTypeProb possibility, ...
newResonanceGroupProb ResonanceGroupProb linkType, possibility, ...

Other Methods (in package)

Go to Top
Method Return Parameters Comment
None

Appendix

Go to Top

guid:

www.ccpn.ac.uk_Fogh_2006-08-16-14:22:47_00034

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.SpinSystemData.resonanceGroups
  Data Model Version 2.1.2
Go to Top  
  Autogenerated by  PyApiDocGen  revision 1.3   on  Mon Mar 2 17:25:00 2015    from data model package  ccp.api.nmr.Nmr.ResonanceGroup   revision ?  
  Work done by the CCPN team.
www.ccpn.ac.uk