taskAdun - Tasks: task #6848, Update FFML Library

 
 
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task #6848: Update FFML Library

Submitted by:  Michael Johnston <mjohnston>
Submitted on:  Wed Nov 11 15:56:31 2009  
 
Should Start On: Wed Nov 11 00:00:00 2009Should be Finished on: Fri Aug 20 00:00:00 2010
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 Nov 24 16:14:28 2009, comment #1:

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

Michael Johnston <mjohnston>
Project AdministratorIn charge of this item.
Wed Nov 11 15:56:31 2009, 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 Jun 20 18:29:55 2010mjohnstonShould be Finished onTue Jun 15 00:00:00 2010=>Fri Aug 20 00:00:00 2010
      Percent Complete0%=>20%
      Planned ReleaseAdun 0.83=>Adun 0.84
    Fri May 28 17:06:38 2010mjohnstonStatusNone=>In Progress
    Wed Mar 17 10:52:19 2010mjohnstonShould be Finished onFri Jan 15 00:00:00 2010=>Tue Jun 15 00:00:00 2010
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