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Class: ChemCompCharge


    ChemComp for which you are describing partial charges etc.
Attributes
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Attribute Methods
Link Attribute Methods
Class Methods
Factory Methods
Other Methods
Appendix

Inheritance:


Details:

Parent: link memopsRoot to class memops.api.Implementation.MemopsRoot
Main key: sourceName, molType, ccpCode
Mandatory Attributes: ccpCode, molType, sourceName
Partitions Children: True
Known Subclasses: None
Children:
link chemAtomCharges to class ChemAtomCharge
link chemCompVarCharges to class ChemCompVarCharge
Constructor: newObj = ChemCompCharge( memopsRoot,ccpCode=value, molType=value, sourceName=value, ... )

Attributes (in package)

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Attribute Type Multiplicity Description
ccpCode LongWord 1..1 ccpCode for ChemComp  
details Text 0..1 Free text, for notes, explanatory comments, etc.  
molType ccp.api.molecule.ChemComp.MolType 1..1 molType of ChemComp  
sourceName Line 1..1 Name of information source for partial charges  

Inherited Attributes (not in package): applicationDataclassNamecreatedByfieldNamesguidinConstructorisDeletedisLoadedisModifiableisModifiedisReadinglastUnlockedBymetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

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Attribute Type Multiplicity Description
chemAtomCharges ChemAtomCharge 0..* (Child link). child link to class ChemAtomCharge  
chemComp ccp.api.molecule.ChemComp.ChemComp 1..1 Derived. Corresponding ChemComp  
chemCompVarCharges ChemCompVarCharge 0..* (Child link). child link to class ChemCompVarCharge  
memopsRoot memops.api.Implementation.MemopsRoot 1..1 (Parent link). parent link  
parent memops.api.Implementation.MemopsRoot 1..1 link to parent object - synonym for memopsRoot  

Inherited Attributes (not in package): accessactiveAccessactiveRepositoriespackageLocatorroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
ccpCode
getCcpCode LongWord -
setCcpCode - LongWord
details
getDetails Text -
setDetails - Text
molType
getMolType ccp.api.molecule.ChemComp.MolType -
setMolType - ccp.api.molecule.ChemComp.MolType
sourceName
getSourceName Line -
setSourceName - Line

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
chemAtomCharges
getChemAtomCharges ChemAtomCharge Set -
sortedChemAtomCharges ChemAtomCharge List -
findFirstChemAtomCharge ChemAtomCharge keyword=value pairs
findAllChemAtomCharges ChemAtomCharge Set keyword=value pairs
chemComp
getChemComp ccp.api.molecule.ChemComp.ChemComp - non-std.
chemCompVarCharges
getChemCompVarCharges ChemCompVarCharge Set -
sortedChemCompVarCharges ChemCompVarCharge List -
findFirstChemCompVarCharge ChemCompVarCharge keyword=value pairs
findAllChemCompVarCharges ChemCompVarCharge Set keyword=value pairs
memopsRoot
getMemopsRoot memops.api.Implementation.MemopsRoot -
parent
getParent memops.api.Implementation.MemopsRoot -

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey ChemCompCharge memops.api.Implementation.MemopsRoot, 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
newChemAtomCharge ChemAtomCharge name, partialCharge, subType, chemCompVarCharges, ...
newChemCompVarCharge ChemCompVarCharge ...

Other Methods (in package)

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Method Return Parameters Comment
None

Appendix

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guid:

www.ccpn.ac.uk_Fogh_2006-08-16-14:25:09_00009

isImplicit:

False

Tag

Value
repositoryId $Id: ChemCompCharge.xml,v 1.52 2011-01-13 14:40:34 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: memops.api.Implementation.MemopsRoot.currentChemCompCharge
  Data Model Version 2.0.6
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  Autogenerated by  PyApiDocGen  revision 1.3   on  Wed Aug 7 15:06:25 2013    from data model package  ccp.api.molecule.ChemCompCharge.ChemCompCharge   revision 1.52  
  Work done by the CCPN team.
www.ccpn.ac.uk