Author: bugman
Date: Thu Aug 11 10:08:57 2011
New Revision: 14334
URL: http://svn.gna.org/viewcvs/relax?rev=14334&view=rev
Log:
Merged revisions 14331,14333 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
........
r14331 | bugman | 2011-08-11 08:49:24 +0200 (Thu, 11 Aug 2011) | 5 lines
Bug fix for the spin_loop() calls when generating Molmol macros.
The full_info argument should have been set to True.
........
r14333 | bugman | 2011-08-11 10:08:26 +0200 (Thu, 11 Aug 2011) | 3 lines
Fix for the molmol.write macro creation user function - the file arg can be
None!
........
Modified:
branches/gui_testing/ (props changed)
branches/gui_testing/prompt/molmol.py
branches/gui_testing/specific_fns/model_free/molmol.py
Propchange: branches/gui_testing/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Thu Aug 11 10:08:57 2011
@@ -1,1 +1,1 @@
-/1.3:1-14329
+/1.3:1-14333
Modified: branches/gui_testing/prompt/molmol.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/prompt/molmol.py?rev=14334&r1=14333&r2=14334&view=diff
==============================================================================
--- branches/gui_testing/prompt/molmol.py (original)
+++ branches/gui_testing/prompt/molmol.py Thu Aug 11 10:08:57 2011
@@ -257,7 +257,7 @@
arg_check.is_str_or_num_list(colour_start, 'starting colour of the
linear gradient', size=3, can_be_none=True)
arg_check.is_str_or_num_list(colour_end, 'ending colour of the
linear gradient', size=3, can_be_none=True)
arg_check.is_str(colour_list, 'colour list', can_be_none=True)
- arg_check.is_str_or_inst(file, 'file name')
+ arg_check.is_str_or_inst(file, 'file name', can_be_none=True)
arg_check.is_str(dir, 'directory name', can_be_none=True)
arg_check.is_bool(force, 'force flag')
Modified: branches/gui_testing/specific_fns/model_free/molmol.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/specific_fns/model_free/molmol.py?rev=14334&r1=14333&r2=14334&view=diff
==============================================================================
--- branches/gui_testing/specific_fns/model_free/molmol.py (original)
+++ branches/gui_testing/specific_fns/model_free/molmol.py Thu Aug 11
10:08:57 2011
@@ -131,7 +131,7 @@
num = 0
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# More than one spin.
if prev_res_num == res_num:
raise RelaxError("Only a single spin per residue is allowed
for the classic Molmol macro style.")
@@ -151,7 +151,7 @@
if data_type == 'S2':
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# Skip deselected spins.
if not spin.select:
continue
@@ -169,7 +169,7 @@
elif data_type == 'S2f':
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# Skip deselected spins.
if not spin.select:
continue
@@ -188,7 +188,7 @@
elif data_type == 'S2s':
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# Skip deselected spins.
if not spin.select:
continue
@@ -207,7 +207,7 @@
elif data_type == 'amp_fast':
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# Skip deselected spins.
if not spin.select:
continue
@@ -244,7 +244,7 @@
elif data_type == 'amp_slow':
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# Skip deselected spins.
if not spin.select:
continue
@@ -272,7 +272,7 @@
elif data_type == 'te':
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# Skip deselected spins.
if not spin.select:
continue
@@ -290,7 +290,7 @@
elif data_type == 'tf':
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# Skip deselected spins.
if not spin.select:
continue
@@ -308,7 +308,7 @@
elif data_type == 'ts':
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# Skip deselected spins.
if not spins.select:
continue
@@ -332,7 +332,7 @@
elif data_type == 'time_fast':
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# Skip deselected spins.
if not spin.select:
continue
@@ -362,7 +362,7 @@
elif data_type == 'time_slow':
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# Skip deselected spins.
if not spin.select:
continue
@@ -397,7 +397,7 @@
elif data_type == 'Rex':
# Loop over the spins.
- for spin, mol_name, res_num, res_name in spin_loop(spin_id):
+ for spin, mol_name, res_num, res_name in spin_loop(spin_id,
full_info=True):
# Skip deselected spins.
if not spin.select:
continue
r14334 - in /branches/gui_testing: ./ prompt/molmol.py specific_fns/model_free/molmol.py