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Class: ChemCompVarCharge


    ChemCompVar, with the Atoms it contains. Note: atoms belonging to Vars with an 'any' attribute must belong to all the relevant Vars
Attributes
Link Attributes
Attribute Methods
Link Attribute Methods
Class Methods
Factory Methods
Other Methods
Appendix

Inheritance:


Details:

Parent: link chemCompCharge to class ChemCompCharge
Main key: linking, descriptor
Mandatory Attributes: None
Known Subclasses: None
Children: None
Constructor: newObj = ChemCompVarCharge( chemCompCharge, ... )

Attributes (in package)

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Attribute Type Multiplicity Description
descriptor Line 1..1 descriptor for ChemCompVar. Parts of identifying key for associated ChemComp.ChemCompVar  
linking ccp.api.molecule.ChemComp.ChemCompLinking 1..1 linking for ChemCompVar. Parts of identifying key for associated ChemComp.ChemCompVar  

Inherited Attributes (not in package): applicationDataclassNamefieldNamesinConstructorisDeletedmetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

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Attribute Type Multiplicity Description
chemAtomCharges ChemAtomCharge 0..* ForceAtoms that are part of ChemCompVarForce  
chemCompCharge ChemCompCharge 1..1 (Parent link). parent link  
chemCompVars ccp.api.molecule.ChemComp.ChemCompVar 1..* Derived. ChemComp.ChemCompVars corresponding to the ChemCompForce.ChemCompVar  
parent ChemCompCharge 1..1 link to parent object - synonym for chemCompCharge  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
descriptor
getDescriptor Line -
setDescriptor - Line
linking
getLinking ccp.api.molecule.ChemComp.ChemCompLinking -
setLinking - ccp.api.molecule.ChemComp.ChemCompLinking

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
chemAtomCharges
getChemAtomCharges ChemAtomCharge Set -
setChemAtomCharges - ChemAtomCharge Set
sortedChemAtomCharges ChemAtomCharge List -
addChemAtomCharge - ChemAtomCharge
removeChemAtomCharge - ChemAtomCharge
findFirstChemAtomCharge ChemAtomCharge keyword=value pairs
findAllChemAtomCharges ChemAtomCharge Set keyword=value pairs
chemCompCharge
getChemCompCharge ChemCompCharge -
chemCompVars
getChemCompVars ccp.api.molecule.ChemComp.ChemCompVar Set - non-std.
sortedChemCompVars ccp.api.molecule.ChemComp.ChemCompVar List -
findFirstChemCompVar ccp.api.molecule.ChemComp.ChemCompVar keyword=value pairs
findAllChemCompVars ccp.api.molecule.ChemComp.ChemCompVar Set keyword=value pairs
parent
getParent ChemCompCharge -

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey ChemCompVarCharge 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_2006-08-16-14:25:09_00010

isImplicit:

False

Tag

Value
repositoryId $Id: ChemCompVarCharge.xml,v 1.50 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:

any_attributes_imply_atoms_shared_with_all_specific_vars
Constraint code: linking = self.linking
descriptor = self.descriptor

isValid = True

if linking == 'any' and descriptor == 'any':
  nVars = len(self.chemCompCharge.chemCompVarCharges)
  for atom in self.chemAtomCharges:
    if len(atom.chemCompVarCharges) != nVars:
      isValid = False
      break

elif linking == 'any':
  otherVars = list(self.chemCompCharge.findAllChemCompVarCharges(descriptor=descriptor))
  otherVars.remove(self)
  for atom in self.chemAtomCharges:
    ll = atom.chemCompVarCharges
    for var in otherVars:
      if var not in ll:
        isValid = False
        break

elif descriptor == 'any':
  otherVars = list(self.chemCompCharge.findAllChemCompVarCharges(linking=linking))
  otherVars.remove(self)
  for atom in self.chemAtomCharges:
    ll = atom.chemCompVarCharges
    for var in otherVars:
      if var not in ll:
        isValid = False
        break
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.molecule.ChemCompCharge.ChemCompVarCharge   revision 1.50  
  Work done by the CCPN team.
www.ccpn.ac.uk