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Class: ChemAtomNmrDistrib


    nD chemical shift distribution
Attributes
Link Attributes
Attribute Methods
Link Attribute Methods
Class Methods
Factory Methods
Other Methods
Appendix

Inheritance:


Details:

Parent: link chemCompNmrRef to class ChemCompNmrRef
Main key: serial
Mandatory Attributes: refPoints, refValues, shiftDistribution, refAtoms
Known Subclasses: None
Children: None
Constructor: newObj = ChemAtomNmrDistrib( chemCompNmrRef,refPoints=value, refValues=value, shiftDistribution=value, refAtoms=value, ... )

Attributes (in package)

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Attribute Type Multiplicity Description
refPoints Float 2..* Reference points - one for each dimension  
refValues Float 2..* Reference values - shift value at the reference point for each dimension  
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  
shiftDistribution FloatMatrix 1..1 Chemical shift distribution matrix. The atoms on the axes are defined by the chemAtomNmrRefs link, the referencing by the refPoints and refValues links  

Inherited Attributes (not in package): applicationDataclassNamefieldNamesinConstructorisDeletedmetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

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Attribute Type Multiplicity Description
chemCompNmrRef ChemCompNmrRef 1..1 (Parent link). parent link  
parent ChemCompNmrRef 1..1 link to parent object - synonym for chemCompNmrRef  
refAtoms ChemAtomNmrRef 2..* Atom references for chemical shifts in shiftDistribution  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
refPoints
getRefPoints Float Tuple -
setRefPoints - Float List
addRefPoint - Float
removeRefPoint - Float
refValues
getRefValues Float Tuple -
setRefValues - Float List
addRefValue - Float
removeRefValue - Float
serial
getSerial Int -
setSerial - Int
shiftDistribution
getShiftDistribution FloatMatrix -
setShiftDistribution - FloatMatrix

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
chemCompNmrRef
getChemCompNmrRef ChemCompNmrRef -
parent
getParent ChemCompNmrRef -
refAtoms
getRefAtoms ChemAtomNmrRef Tuple -
setRefAtoms - ChemAtomNmrRef List
addRefAtom - ChemAtomNmrRef
removeRefAtom - ChemAtomNmrRef
findFirstRefAtom ChemAtomNmrRef keyword=value pairs
findAllRefAtoms ChemAtomNmrRef List keyword=value pairs

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey ChemAtomNmrDistrib 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_2010-05-14-15:28:22_00001

isImplicit:

False

Tag

Value
repositoryId $Id: ChemAtomNmrDistrib.xml,v 1.4 2011-01-13 14:40:36 rhfogh Exp $

Tag

Value
repositoryTag $Name: not supported by cvs2svn $

Special constructor code:

None

Special destructor code:

None

Constraint name:

consistent_matrix_size
Constraint code: len(self.refPoints) == self.shiftDistribution.ndim

Constraint name:

consistent_number_of_reference_atoms
Constraint code: len(self.refPoints) == len(self.refAtoms)

Constraint name:

consistent_referencing_dimension
Constraint code: len(self.refPoints) == len(self.refValues)
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 15:06:26 2013    from data model package  ccp.api.nmr.NmrReference.ChemAtomNmrDistrib   revision 1.4  
  Work done by the CCPN team.
www.ccpn.ac.uk