Author: michaelbieri
Date: Wed Mar 10 01:18:16 2010
New Revision: 10959
URL: http://svn.gna.org/viewcvs/relax?rev=10959&view=rev
Log:
Reverted r10918 to restore dauvergne_protocol.py as set up by Edward
d'Auvergne.
The revision was reported at:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/dauvergne_protocol.py?rev=10918&view=log.
Modified:
branches/bieri_gui/auto_analyses/dauvergne_protocol.py
Modified: branches/bieri_gui/auto_analyses/dauvergne_protocol.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/dauvergne_protocol.py?rev=10959&r1=10958&r2=10959&view=diff
==============================================================================
--- branches/bieri_gui/auto_analyses/dauvergne_protocol.py (original)
+++ branches/bieri_gui/auto_analyses/dauvergne_protocol.py Wed Mar 10
01:18:16 2010
@@ -143,7 +143,6 @@
from os import getcwd, listdir, sep
from re import search
from string import lower
-from time import sleep
# relax module imports.
from float import floatAsByteArray
@@ -155,7 +154,7 @@
class dAuvergne_protocol:
- def __init__(self, progress = 0, diff_model=None, mf_models=['m0', 'm1',
'm2', 'm3', 'm4', 'm5', 'm6', 'm7', 'm8', 'm9'], local_tm_models=['tm0',
'tm1', 'tm2', 'tm3', 'tm4', 'tm5', 'tm6', 'tm7', 'tm8', 'tm9'],
pdb_file=None, seq_args=None, het_name=None, relax_data=None, unres=None,
exclude=None, bond_length=None, csa=None, hetnuc=None, proton='1H',
grid_inc=11, min_algor='newton', mc_num=500, user_fns=None, conv_loop=True):
+ def __init__(self, diff_model=None, mf_models=['m0', 'm1', 'm2', 'm3',
'm4', 'm5', 'm6', 'm7', 'm8', 'm9'], local_tm_models=['tm0', 'tm1', 'tm2',
'tm3', 'tm4', 'tm5', 'tm6', 'tm7', 'tm8', 'tm9'], pdb_file=None,
seq_args=None, het_name=None, relax_data=None, unres=None, exclude=None,
bond_length=None, csa=None, hetnuc=None, proton='1H', grid_inc=11,
min_algor='newton', mc_num=500, user_fns=None, conv_loop=True):
"""Perform the full model-free analysis protocol of d'Auvergne and
Gooley, 2008b.
@keyword diff_model: The global diffusion model to optimise.
This can be one of 'local_tm', 'sphere', 'oblate', 'prolate', 'ellipsoid', or
'final'.
@@ -214,7 +213,6 @@
self.min_algor = min_algor
self.mc_num = mc_num
self.conv_loop = conv_loop
- self.progress = progress
# User variable checks.
self.check_vars()
@@ -232,7 +230,6 @@
# MI - Local tm.
################
-
if self.diff_model == 'local_tm':
# Base directory to place files into.
@@ -743,13 +740,6 @@
if pipes.has_pipe(name):
self.interpreter.pipe.delete(name)
self.interpreter.pipe.create(name, 'mf')
-
- # Update progress.
- print'\nProgress: '+ str(self.progress)
- if local_tm:
- self.progress = self.progress + (100/len(self.pipes))
- else:
- self.progress = self.progress + 5
# Load the sequence.
self.interpreter.sequence.read(file=self.seq_args[0],
dir=self.seq_args[1], mol_name_col=self.seq_args[2],
res_num_col=self.seq_args[3], res_name_col=self.seq_args[4],
spin_num_col=self.seq_args[5], spin_name_col=self.seq_args[6],
sep=self.seq_args[7])
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