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Package: WmsProtocol


    WMS protocol description
Classes
Data Types
Data Obj Types

Imported Packages:

ccp.api.general.Method,   ccp.api.general.Template,   ccp.api.nmr.NmrCalc,   memops.api.AccessControl,   memops.api.Implementation,   molsim.api.AnnealProtocol

Packages Importing cambridge.api.WmsProtocol:

Wms

Classes:

Class Description
EnumValue
InterfaceLabel Label to display in interface
InterfaceObject
InterfaceParameter Parameter input interface description
ProtocolAccess Connection information for specific user
ProtocolInterface Interface spercification for protocol
ProtocolParameter WMS parameter, its identification, and type. Contains sufficient information to define a parameter, pass it to (from) the program being run, and set it in NmrCalc.
ProtocolService WMS calcuoation service description
WmsProtocol WMS calculation protocol. Includes graphical representation.

Data Obj Types:

Type Description
None

Data Types:

Type Description
ParamType Parameter Type. Used to determine which NmrCalc class is used to store the relevant parameter, and how. Where it does not give rise to ambiguity, the ParamType string is the same as the role name used in NmrCalc. As below (className, than ParamType values)

NBNB TBD update types.

## Simple data NmrCalc types

#RunParameter
  textValue
  intValue
  floatValue
  booleanValue

#MatrixData
   floatMatrix
   intMatrix

#TensorData
   orientationMatrix

## Object data NmrCalc types, following standard naming scheme

#DerivedListData
   derivedDataList

#MeasurementListData
   measurementList

#SpectrumData
   dataSource

#PeakListData
  peakList

#SpinSystemData
   resonanceGroup

#ExternalData
   dataStore

#ViolationListData
   violationList

#ConstraintStoreData
   constraintStore
   constraintLists

#StructureEnsembleData
   structureEnsemble
   structureModels

## Special cases - ParamType values do not match  NmrCalc attribute names
  
#MolResidueData
   molResChain
   molResChains
   molResidues

#MolSystemData
  molSystem
  molSysChains
  symMolSystem # Same as molSystem, but symmertrySet is also set
  symMolSystemChains # Same as molSystem, but symmertrySet is also set

## NmrCalc.Energyterm is not implemented

Package guid:

www.ccpn.ac.uk_Fogh_2010-05-06-12:26:54_00001
  Data Model Version 2.1.2
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