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Class: MolResidueData


    MolSystem.Residue data for calculations
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: chainCodes, molSystemCode
Known Subclasses: None
Children: None
Constructor: newObj = MolResidueData( run,chainCodes=value, molSystemCode=value, ... )

Attributes (in package)

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Attribute Type Multiplicity Description
chainCode Line 0..1 Derived. Chain code of Chain containing residues - if there is only one. Otherwise None. Derived from chainCodes  
chainCodes Line 1..* chainCodes corresponding to residueSeqIds. Used in two different ways. If all Residues are within a single chain, chainCodes has length one and residueSeqIds may may be empty (signifying all residues in the chain) Otherwise the length of chainCodes and residueSeqIds must be identical, so that each residueSeqId matches the chainCode at teh same position in the list.  
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.  
ioRole IoRole 1..1 Role of data in calculation (input / output).  
molSystemCode Word 1..1 Molsystem code of relevant MolSystem - used in deriving link to Residues  
name Line 0..1 Human readable name of parameter  
residueSeqIds Int 0..* Residue seqIds of residues linked to. If empty (and if there is only a single chain code) all residues in the chain are used.  
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)

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Attribute Type Multiplicity Description
chain ccp.api.molecule.MolSystem.Chain 0..1 Derived. MolSystem.Chain containing residue data, if there is only one chain. Otherwise None.  
chains ccp.api.molecule.MolSystem.Chain 0..* Derived. MolSystem.Chains containing residue data. Ordered as the chainCodes attriubute  
molSystem ccp.api.molecule.MolSystem.MolSystem 0..1 Derived. MolSystem for residue data  
parameterGroup ParameterGroup 0..1 Parameter group that Data belong to  
parent Run 1..1 link to parent object - synonym for run  
residues ccp.api.molecule.MolSystem.Residue 0..* Derived. MolSystem.Residues used for data  
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
chainCode
getChainCode Line - non-std.
setChainCode - Line non-std.
chainCodes
getChainCodes Line Tuple -
setChainCodes - Line List
code
getCode Word -
setCode - Word
details
getDetails Text -
setDetails - Text
ioRole
getIoRole IoRole -
setIoRole - IoRole
molSystemCode
getMolSystemCode Word -
setMolSystemCode - Word
name
getName Line -
setName - Line
residueSeqIds
getResidueSeqIds Int Tuple -
setResidueSeqIds - Int List
addResidueSeqId - Int
removeResidueSeqId - Int
serial
getSerial Int -
setSerial - Int

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
chain
getChain ccp.api.molecule.MolSystem.Chain - non-std.
setChain - ccp.api.molecule.MolSystem.Chain non-std.
chains
getChains ccp.api.molecule.MolSystem.Chain Tuple - non-std.
setChains - ccp.api.molecule.MolSystem.Chain List non-std.
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 List keyword=value pairs
molSystem
getMolSystem ccp.api.molecule.MolSystem.MolSystem - non-std.
parameterGroup
getParameterGroup ParameterGroup -
setParameterGroup - ParameterGroup
parent
getParent Run -
residues
getResidues ccp.api.molecule.MolSystem.Residue Set - non-std.
setResidues - ccp.api.molecule.MolSystem.Residue Set non-std.
sortedResidues ccp.api.molecule.MolSystem.Residue List -
addResidue - ccp.api.molecule.MolSystem.Residue
removeResidue - ccp.api.molecule.MolSystem.Residue
findFirstResidue ccp.api.molecule.MolSystem.Residue keyword=value pairs
findAllResidues ccp.api.molecule.MolSystem.Residue Set keyword=value pairs
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 MolResidueData 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_2009-05-20-16:32:11_00003

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  Fri Mar 28 11:18:50 2014    from data model package  ccp.api.nmr.NmrCalc.MolResidueData   revision ?  
  Work done by the CCPN team.
www.ccpn.ac.uk