Data Model version 2.0.6
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Class: StructureGeneration


    One cycle of Nmr Structure generation, with associated constraints, protocol, parameters, etc., producing one family of structures. NB protocol etc. information still not modeled.
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: None
Constructor: newObj = StructureGeneration( nmrProject, ... )

Attributes (in package)

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Attribute Type Multiplicity Description
details Text 0..1 Free text, for notes, explanatory comments, etc.  
generationType StructureGenerationType 1..1 Generation type (denovo, refinement).  
name Line 0..1 StructureGeneration name - to specify more precisely the nature of the particular structure generation.  
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
entries ccp.api.nmr.NmrEntry.Entry 0..* Deposition Entries for StructureGeneration  
method ccp.api.general.Method.Method 0..1 Method used for generating structures  
nmrConstraintStore ccp.api.nmr.NmrConstraint.NmrConstraintStore 0..1 NmrConstraintStore holding constraints used in StructureGeneration  
nmrProject NmrProject 1..1 (Parent link). parent link  
parent NmrProject 1..1 link to parent object - synonym for nmrProject  
runs ccp.api.nmr.NmrCalc.Run 0..* Derived. NmrCalc runs used in structure generation  
structureEnsemble ccp.api.molecule.MolStructure.StructureEnsemble 0..1 StructureEnsemble generated during StructureGeneration  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
details
getDetails Text -
setDetails - Text
generationType
getGenerationType StructureGenerationType -
setGenerationType - StructureGenerationType
name
getName Line -
setName - Line
serial
getSerial Int -
setSerial - Int

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
entries
getEntries ccp.api.nmr.NmrEntry.Entry Set -
setEntries - ccp.api.nmr.NmrEntry.Entry Set
sortedEntries ccp.api.nmr.NmrEntry.Entry List -
addEntry - ccp.api.nmr.NmrEntry.Entry
removeEntry - ccp.api.nmr.NmrEntry.Entry
findFirstEntry ccp.api.nmr.NmrEntry.Entry keyword=value pairs
findAllEntries ccp.api.nmr.NmrEntry.Entry Set keyword=value pairs
method
getMethod ccp.api.general.Method.Method -
setMethod - ccp.api.general.Method.Method
nmrConstraintStore
getNmrConstraintStore ccp.api.nmr.NmrConstraint.NmrConstraintStore -
setNmrConstraintStore - ccp.api.nmr.NmrConstraint.NmrConstraintStore
nmrProject
getNmrProject NmrProject -
parent
getParent NmrProject -
runs
getRuns ccp.api.nmr.NmrCalc.Run Set - non-std.
sortedRuns ccp.api.nmr.NmrCalc.Run List -
findFirstRun ccp.api.nmr.NmrCalc.Run keyword=value pairs
findAllRuns ccp.api.nmr.NmrCalc.Run Set keyword=value pairs
structureEnsemble
getStructureEnsemble ccp.api.molecule.MolStructure.StructureEnsemble -
setStructureEnsemble - ccp.api.molecule.MolStructure.StructureEnsemble

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey StructureGeneration 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_2006-08-16-14:22:49_00011

isImplicit:

False

Tag

Value
repositoryId $Id: StructureGeneration.xml,v 1.51 2011-01-13 14:40:35 rhfogh Exp $

Tag

Value
repositoryTag $Name: not supported by cvs2svn $

Special constructor code:

None

Special destructor code:

None

Constraints:

None
Known inward one-way links: None
  Data Model Version 2.0.6
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  Autogenerated by  PyApiDocGen  revision 1.3   on  Wed Aug 7 15:06:49 2013    from data model package  ccp.api.nmr.Nmr.StructureGeneration   revision 1.51  
  Work done by the CCPN team.
www.ccpn.ac.uk