relax SVN archive

Merged revisions 15238 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r15238 | bugman | 2012-01-24 21:04:14 +0100 (Tue, 24 Jan 2012) | 3 lines

Speed up for the generic_fns.relax_re.search() function.
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Reactivated and converted the Frame_order.test_cam_free_rotor() system test to the new design.

Fixes for the structure reading system tests for the moved CaM PDB files.

More fixes for the frame order minimisation RDC setup for the spin parameter name changes.

Fix for the RDC setup for the frame order minimisation.

Updated all of the CaM frame order test data scripts for the changes to the value.set user function.

Speed up for the generic_fns.relax_re.search() function.

Merged revisions 15232,15236 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r15232 | bugman | 2012-01-24 18:42:44 +0100 (Tue, 24 Jan 2012) | 6 lines

Reordered the checks in Selection.__contains_mol_res_spin_containers().

This cuts the number of function calls down by avoiding relax_re.search() calls if residue or spin
numbers match.
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r15236 | bugman | 2012-01-24 19:25:14 +0100 (Tue, 24 Jan 2012) | 5 lines

More speed ups for the Selection.__contains_mol_res_spin_containers() method.

Certain unnecessary tests are now skipped.
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More speed ups for the Selection.__contains_mol_res_spin_containers() method.

Certain unnecessary tests are now skipped.

Merged revisions 15220,15223-15224,15226-15228,15230,15232 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r15220 | bugman | 2012-01-24 10:18:12 +0100 (Tue, 24 Jan 2012) | 6 lines

Added a print out for the diffusion_tensor.init uf to inform the user of an angle unit change.

This is in response to bug #19323 (https://gna.org/bugs/?19323), to make it clearer that a parameter
conversion has occurred.
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r15223 | bugman | 2012-01-24 14:58:21 +0100 (Tue, 24 Jan 2012) | 7 lines

Significant speed ups of the return_spin() and return_residue() functions.

This change to the generic_fns.mol_res_spin functions cuts the system tests from ~8 min to ~7 min on
my laptop. The support for multiple spin selections has been dropped as this additional flexibility
is not being used anyway.
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r15224 | bugman | 2012-01-24 15:00:01 +0100 (Tue, 24 Jan 2012) | 6 lines

Fixes for the rdc.read and pcs.read user function backends.

The spin_id string is now not used in the back end - it was being sent to the return_spin() function
- removing flexibility but significantly speeding up the user functions.
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r15226 | bugman | 2012-01-24 15:14:43 +0100 (Tue, 24 Jan 2012) | 3 lines

Removed a debugging print out statement.
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r15227 | bugman | 2012-01-24 15:16:32 +0100 (Tue, 24 Jan 2012) | 3 lines

Removed some more debugging print outs.
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r15228 | bugman | 2012-01-24 15:24:40 +0100 (Tue, 24 Jan 2012) | 17 lines

Updates for Python 3.0.

The command used was:
2to3 -w \
-f buffer \
-f idioms \
-f set_literal \
-f ws_comma \
-x except \
-x import \
-x imports \
-x long \
-x numliterals \
-x xrange \
relax .
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r15230 | bugman | 2012-01-24 16:08:00 +0100 (Tue, 24 Jan 2012) | 6 lines

Simplified the generic_fns.relax_re.search() function.

This is to minimise the number of isinstance() calls when dealing with the relax mol-res-spin
sequence data.
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r15232 | bugman | 2012-01-24 18:42:44 +0100 (Tue, 24 Jan 2012) | 6 lines

Reordered the checks in Selection.__contains_mol_res_spin_containers().

This cuts the number of function calls down by avoiding relax_re.search() calls if residue or spin
numbers match.
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