relax SVN archive

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

........
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.
........
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.
........

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

........
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.
........
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.
........
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.
........
r15226 | bugman | 2012-01-24 15:14:43 +0100 (Tue, 24 Jan 2012) | 3 lines

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

Removed some more debugging print outs.
........
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 .
........
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.
........
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.
........

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

........
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.
........
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.
........
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.
........
r15226 | bugman | 2012-01-24 15:14:43 +0100 (Tue, 24 Jan 2012) | 3 lines

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

Removed some more debugging print outs.
........
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 .
........
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.
........
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.
........

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

........
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.
........
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.
........
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.
........
r15226 | bugman | 2012-01-24 15:14:43 +0100 (Tue, 24 Jan 2012) | 3 lines

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

Removed some more debugging print outs.
........
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 .
........
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.
........
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.
........

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.

Merged revisions 15230 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

........
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.
........

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.

Merged revisions 15226-15228 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

........
r15226 | bugman | 2012-01-24 15:14:43 +0100 (Tue, 24 Jan 2012) | 3 lines

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

Removed some more debugging print outs.
........
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 .
........

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 .