relax SVN archive

Updated the model-free num_instances() method to the new relax design.

Branch deletion.

Removed merge tracking for "svnmerge" for
svn+ssh://bugman@.../svn/relax/branches/spin_loop_bool

Merged revisions 5711,5713-5725 via svnmerge from
svn+ssh://bugman@.../svn/relax/branches/spin_loop_bool

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r5711 | bugman | 2008-04-14 21:20:26 +0200 (Mon, 14 Apr 2008) | 12 lines

Ok, lets try this again! Created a branch for some nasty breakages and testing new ideas.

The command used was:
svn cp svn+ssh://bugman@.../svn/relax/1.3 svn+ssh://bugman@.../svn/relax/branches/spin_loop_bool

The spin_loop and its siblings cannot currently handle the branching tree formed by the Selection
object (nested within Selection._union and Selection._intersect). For example if there are two
molecules loaded into the data store, 'Ap4Aase' and 'RNA', the spin_loop with the spin id string
'#Ap4Aase:Glu | #RNA@...' loops over all spins of both molecules!!! Therefore all the usages of the
Selection object need to be redesigned, and possibly the Selection object itself.
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r5713 | bugman | 2008-04-14 21:26:08 +0200 (Mon, 14 Apr 2008) | 3 lines

Modified the spin_loop to check the tuple of (mol, res, spin) against the selection object.
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r5714 | bugman | 2008-04-14 21:49:20 +0200 (Mon, 14 Apr 2008) | 5 lines

Redesigned the selection object method Selection.__contains__().

Now multiple MoleculeContainer, ResidueContainer, or SpinContainer instances can be compared.
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r5715 | bugman | 2008-04-14 21:54:34 +0200 (Mon, 14 Apr 2008) | 3 lines

Some fixes for the Selection.__contains__() method.
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r5716 | bugman | 2008-04-14 21:59:10 +0200 (Mon, 14 Apr 2008) | 3 lines

Changed the spin_index_loop() function to use the same form as spin_loop().
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r5717 | bugman | 2008-04-14 22:00:39 +0200 (Mon, 14 Apr 2008) | 3 lines

Updated the residue_loop() function.
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r5718 | bugman | 2008-04-14 22:03:08 +0200 (Mon, 14 Apr 2008) | 3 lines

Updated all the other comparisons to the selection object.
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r5719 | bugman | 2008-04-14 22:17:11 +0200 (Mon, 14 Apr 2008) | 3 lines

The Selection.__contains__() method now is complete and all the relevant unit tests pass again.
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r5720 | bugman | 2008-04-14 22:22:08 +0200 (Mon, 14 Apr 2008) | 3 lines

Small docstring updates.
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Merged revisions 5711-5724 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r5721 | bugman | 2008-04-14 22:39:19 +0200 (Mon, 14 Apr 2008) | 3 lines

Fixes for the test_opt_constr_sd_back_S2_0_970_te_2048_Rex_0_149() system test on 64 bit Linux.
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r5722 | bugman | 2008-04-14 22:50:50 +0200 (Mon, 14 Apr 2008) | 3 lines

Fixes for the test_opt_constr_newton_gmw_mt_S2_0_970_te_2048_Rex_0_149() system test for 64 bit Linux.
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r5723 | bugman | 2008-04-14 22:52:44 +0200 (Mon, 14 Apr 2008) | 3 lines

Modified the mesg_opt_debug() method to print only opt info rather than everything in the spin cont.
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r5724 | bugman | 2008-04-14 22:58:00 +0200 (Mon, 14 Apr 2008) | 3 lines

Fixed all the model-free optimisation system tests for 64 bit Linux.
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Initialized merge tracking via "svnmerge" with revisions "1-5710" from
svn+ssh://bugman@.../svn/relax/branches/spin_loop_bool

Fixed all the model-free optimisation system tests for 64 bit Linux.

Modified the mesg_opt_debug() method to print only opt info rather than everything in the spin cont.

Fixes for the test_opt_constr_newton_gmw_mt_S2_0_970_te_2048_Rex_0_149() system test for 64 bit Linux.

Fixes for the test_opt_constr_sd_back_S2_0_970_te_2048_Rex_0_149() system test on 64 bit Linux.