taskAdun - Tasks: task #6848, Update FFML Library

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task #6848: Update FFML Library

Submitted by:  Michael Johnston <mjohnston>
Submitted on:  Wed 11 Nov 2009 03:56:31 PM UTC  
Should Start On: Wed 11 Nov 2009 12:00:00 AM UTCShould be Finished on: Fri 20 Aug 2010 12:00:00 AM UTC
Category: UL Priority: 7 - High
Status: In ProgressPrivacy: Public
Percent Complete: 20%Assigned to: Michael Johnston <mjohnston>
Open/Closed: OpenPlanned Release: Adun 0.84
Effort: 0.00

Tue 24 Nov 2009 04:14:28 PM UTC, comment #1:

Also combine multiple parameters for same interaction into a single entry.

Michael Johnston <mjohnston>
Project AdministratorIn charge of this item.
Wed 11 Nov 2009 03:56:31 PM UTC, original submission:

This covers a general cleaning up of the FFML library and ULInteractionsBuilder (which is suffering from readability problems and code bloat).
Sub-tasks are

- Convert to Framework
- Clean interfaces
- Move all functionality related to searching FFML data from ULInteractionsBuilder to relevant FFML classes.
- Move as much of the hardcoded force-field information (units, parameter names etc) from ULInteractionsBuilder to FFML files/framework.
- Add methods to modify FFML files

Michael Johnston <mjohnston>
Project AdministratorIn charge of this item.


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    Follow 5 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Sun 20 Jun 2010 06:29:55 PM UTCmjohnstonShould be Finished onTue 15 Jun 2010 12:00:00 AM UTC=>Fri 20 Aug 2010 12:00:00 AM UTC
      Percent Complete0%=>20%
      Planned ReleaseAdun 0.83=>Adun 0.84
    Fri 28 May 2010 05:06:38 PM UTCmjohnstonStatusNone=>In Progress
    Wed 17 Mar 2010 10:52:19 AM UTCmjohnstonShould be Finished onFri 15 Jan 2010 12:00:00 AM UTC=>Tue 15 Jun 2010 12:00:00 AM UTC
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