taskAdun - Tasks: task #6849, Change Build Classes to use...

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task #6849: Change Build Classes to use AdDataSource

Submitted by:  Michael Johnston <mjohnston>
Submitted on:  Wed Nov 11 16:05:30 2009  
Should Start On: Wed Nov 11 00:00:00 2009Should be Finished on: Fri Oct 1 00:00:00 2010
Category: UL Priority: 7 - High
Status: In ProgressPrivacy: Public
Percent Complete: 0%Assigned to: None
Open/Closed: OpenPlanned Release: Adun 0.84
Effort: 0.00

Wed Nov 11 16:05:30 2009, original submission:

For historical reasons the build classes (ULConfigurationBuilder, ULTopologyBuilder, and ULInteractionsBuilder) pass information around in a complicated mixture of arrays and dictionaries. Then at the end of the build process these are converted into an AdDataSource object.

To clarify and simplify each step each class should take/return either

1. A AdDataSource object
2. An AdDataMatrix object.


ULConfigurationBuilder - return an AdDataSource containing elementConfiguration pdb names, and residue/chain data.

ULTopologyBuilder - Take a residue/chain data and return an AdDataSource containing full properties matrix, the bonded atoms table etc.

ULMerger - Takes the two data sources and combine them.

ULInteractionsBuilder - Take merged data source and add other interaction tables and parameters.

Michael Johnston <mjohnston>
Project Administrator


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  • -unavailable- added by mjohnston (Submitted the item)

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    Follow 4 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Sun Jan 24 13:22:58 2016cazfiDependencies-=>task #7966 is dependent
    Sun Jun 20 18:32:05 2010mjohnstonShould be Finished onMon Jan 11 00:00:00 2010=>Fri Oct 1 00:00:00 2010
      StatusNone=>In Progress
      Planned ReleaseAdun 0.83=>Adun 0.84
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