r15233 - in /branches/cst: ./ extern/scientific_python/Geometry/ extern/scientific_python/IO/ generic_fns/ generic_fns/struc... -- January 24, 2012 - 18:45

Author: bugman
Date: Tue Jan 24 18:45:50 2012
New Revision: 15233

URL: http://svn.gna.org/viewcvs/relax?rev=15233&view=rev
Log:
Merged revisions 15220,15223-15224,15226-15228,15230,15232 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/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.
........

Modified:
    branches/cst/   (props changed)
    branches/cst/arg_check.py
    branches/cst/extern/scientific_python/Geometry/TensorModule.py
    branches/cst/extern/scientific_python/Geometry/VectorModule.py
    branches/cst/extern/scientific_python/IO/FortranFormat.py
    branches/cst/extern/scientific_python/IO/PDB.py
    branches/cst/extern/scientific_python/IO/PDBSpaceGroups.py
    branches/cst/extern/scientific_python/IO/TextFile.py
    branches/cst/generic_fns/diffusion_tensor.py
    branches/cst/generic_fns/mol_res_spin.py
    branches/cst/generic_fns/pcs.py
    branches/cst/generic_fns/rdc.py
    branches/cst/generic_fns/relax_re.py
    branches/cst/generic_fns/structure/api_base.py
    branches/cst/prompt/structure.py
    branches/cst/specific_fns/frame_order.py
    branches/cst/specific_fns/model_free/main.py
    
branches/cst/test_suite/shared_data/frame_order/iso_cone_free_rotor/generate_distribution.py
    
branches/cst/test_suite/shared_data/frame_order/iso_cone_free_rotor2/generate_distribution.py
    branches/cst/test_suite/system_tests/frame_order.py

[This mail would be too long, it was shortened to contain the URLs only.]

Modified: branches/cst/arg_check.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/arg_check.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/extern/scientific_python/Geometry/TensorModule.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/extern/scientific_python/Geometry/TensorModule.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/extern/scientific_python/Geometry/VectorModule.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/extern/scientific_python/Geometry/VectorModule.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/extern/scientific_python/IO/FortranFormat.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/extern/scientific_python/IO/FortranFormat.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/extern/scientific_python/IO/PDB.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/extern/scientific_python/IO/PDB.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/extern/scientific_python/IO/PDBSpaceGroups.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/extern/scientific_python/IO/PDBSpaceGroups.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/extern/scientific_python/IO/TextFile.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/extern/scientific_python/IO/TextFile.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/generic_fns/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/generic_fns/diffusion_tensor.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/generic_fns/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/generic_fns/mol_res_spin.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/generic_fns/pcs.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/generic_fns/pcs.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/generic_fns/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/generic_fns/rdc.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/generic_fns/relax_re.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/generic_fns/relax_re.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/generic_fns/structure/api_base.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/generic_fns/structure/api_base.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/prompt/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/prompt/structure.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/specific_fns/frame_order.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/specific_fns/model_free/main.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/specific_fns/model_free/main.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: 
branches/cst/test_suite/shared_data/frame_order/iso_cone_free_rotor/generate_distribution.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/test_suite/shared_data/frame_order/iso_cone_free_rotor/generate_distribution.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: 
branches/cst/test_suite/shared_data/frame_order/iso_cone_free_rotor2/generate_distribution.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/test_suite/shared_data/frame_order/iso_cone_free_rotor2/generate_distribution.py?rev=15233&r1=15232&r2=15233&view=diff

Modified: branches/cst/test_suite/system_tests/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/cst/test_suite/system_tests/frame_order.py?rev=15233&r1=15232&r2=15233&view=diff