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

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: stereoClass, value
Known Subclasses: None
Children: None
Constructor: newObj = Stereochemistry( chemComp,stereoClass=value, value=value, ... )

Attributes (in package)

Go to Top
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 Type of stereochemistry represented. Used to derive link to RefStereochemistry  
value Word 1..1 Value for the stereochemistry.  

Inherited Attributes (not in package): applicationDataclassNamefieldNamesinConstructorisDeletedmetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

Go to Top
Attribute Type Multiplicity Description
chemAtoms AbstractChemAtom 0..* ChemAtoms that define value of StereoChemistry. The order of atoms in the link is significant.  
chemComp ChemComp 1..1 (Parent link). parent link  
coreAtoms AbstractChemAtom 0..* ChemAtoms making up core of stereochemsitry, to which stereochemistry designation belong (e.g. tetrahedral carbon, atoms in double bond). The order of atoms in the link is significant.  
parent ChemComp 1..1 link to parent object - synonym for chemComp  
refStereochemistry ccp.api.molecule.Stereochemistry.RefStereochemistry 0..1 Derived. Stereochemistry class that Stereochemistry object corresponds to.  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

Go to Top
Attribute Method Return Parameters Comment
serial
getSerial Int -
setSerial - Int
stereoClass
getStereoClass Word -
setStereoClass - Word
value
getValue Word -
setValue - Word

Link Attribute Methods (in package)

Go to Top
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 -
coreAtoms
getCoreAtoms AbstractChemAtom Tuple -
setCoreAtoms - AbstractChemAtom List
findFirstCoreAtom AbstractChemAtom keyword=value pairs
findAllCoreAtoms AbstractChemAtom List keyword=value pairs
parent
getParent ChemComp -
refStereochemistry
getRefStereochemistry ccp.api.molecule.Stereochemistry.RefStereochemistry - non-std.
setRefStereochemistry - ccp.api.molecule.Stereochemistry.RefStereochemistry non-std.

Class Methods (in package)

Go to Top
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)

Go to Top
Method Return Parameters
None

Other Methods (in package)

Go to Top
Method Return Parameters Comment
None

Appendix

Go to Top

guid:

www.ccpn.ac.uk_Fogh_2006-08-16-14:22:52_00028

isImplicit:

False

Tag

Value
repositoryId $Id: $

Tag

Value
repositoryTag $Name: $

Special constructor code:

None

Special destructor code:

None

Special postDestructor 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 2.1.2
Go to Top  
  Autogenerated by  PyApiDocGen  revision 1.3   on  Fri Mar 28 11:18:05 2014    from data model package  ccp.api.molecule.ChemComp.Stereochemistry   revision ?  
  Work done by the CCPN team.
www.ccpn.ac.uk