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Class: Stereochemistry


    The stereochemistry attribute in combination with the AbstractChemAtoms and their order in the link define the stereochemistry of the atoms.  
Attributes
Link Attributes
Attribute Methods
Link Attribute Methods
Class Methods
Factory Methods
Other Methods
Appendix

Inheritance:


Details:

Parent: link chemComp to class ChemComp
Main key: serial
Mandatory Attributes: value, refStereochemistry
Known Subclasses: None
Children: None
Constructor: newObj = Stereochemistry( chemComp,value=value, refStereochemistry=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  
stereoClass Word 1..1 Derived. Type of stereochemistry represented, following the SMILES conventions.  
value Word 1..1 Value for the stereochemistry, following the SMILES convention.  

Inherited Attributes (not in package): applicationDataclassNamefieldNamesinConstructorisDeletedmetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

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Attribute Type Multiplicity Description
chemAtoms AbstractChemAtom 0..* ChemAtoms that define StereoChemistry. The order of atoms in the link is significant.  
chemComp ChemComp 1..1 (Parent link). parent link  
parent ChemComp 1..1 link to parent object - synonym for chemComp  
refStereochemistry ccp.api.molecule.Stereochemistry.RefStereochemistry 1..1 Stereochemistry class that Stereochemistry object corresponds to.  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
serial
getSerial Int -
setSerial - Int
stereoClass
getStereoClass Word - non-std.
value
getValue Word -
setValue - Word

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
chemAtoms
getChemAtoms AbstractChemAtom Tuple -
setChemAtoms - AbstractChemAtom List
findFirstChemAtom AbstractChemAtom keyword=value pairs
findAllChemAtoms AbstractChemAtom List keyword=value pairs
chemComp
getChemComp ChemComp -
parent
getParent ChemComp -
refStereochemistry
getRefStereochemistry ccp.api.molecule.Stereochemistry.RefStereochemistry -
setRefStereochemistry - ccp.api.molecule.Stereochemistry.RefStereochemistry

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey Stereochemistry 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_2006-08-16-14:22:52_00028

isImplicit:

False

Tag

Value
repositoryId $Id: Stereochemistry.xml,v 1.51 2011-01-13 14:40:34 rhfogh Exp $

Tag

Value
repositoryTag $Name: not supported by cvs2svn $

Special constructor code:

None

Special destructor code:

None

Constraint name:

number_of_chemAtoms_must_fit_refStereochemistry
Constraint code: len(self.chemAtoms) == self.refStereochemistry.numAtoms
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 15:06:24 2013    from data model package  ccp.api.molecule.ChemComp.Stereochemistry   revision 1.51  
  Work done by the CCPN team.
www.ccpn.ac.uk