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 11 Nov 2009 04:05:30 PM UTC  
Should Start On: Wed 11 Nov 2009 12:00:00 AM UTCShould be Finished on: Fri 01 Oct 2010 12:00:00 AM UTC
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 11 Nov 2009 04:05:30 PM UTC, 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 3 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Sun 20 Jun 2010 06:32:05 PM UTCmjohnstonShould be Finished onMon 11 Jan 2010 12:00:00 AM UTC=>Fri 01 Oct 2010 12:00:00 AM UTC
      StatusNone=>In Progress
      Planned ReleaseAdun 0.83=>Adun 0.84
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