Author: semor
Date: Thu Apr 3 17:25:11 2008
New Revision: 5261
URL: http://svn.gna.org/viewcvs/relax?rev=5261&view=rev
Log:
More removal of the run argument as part of the moving to the new design.
Modified:
1.3/prompt/grace.py
Modified: 1.3/prompt/grace.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/prompt/grace.py?rev=5261&r1=5260&r2=5261&view=diff
==============================================================================
--- 1.3/prompt/grace.py (original)
+++ 1.3/prompt/grace.py Thu Apr 3 17:25:11 2008
@@ -101,13 +101,11 @@
self.__relax__.generic.grace.view(file=file, dir=dir,
grace_exe=grace_exe)
- def write(self, run=None, x_data_type='res', y_data_type=None,
res_num=None, res_name=None, plot_data='value', norm=0, file=None,
dir='grace', force=0):
+ def write(self, x_data_type='res', y_data_type=None, res_num=None,
res_name=None, plot_data='value', norm=0, file=None, dir='grace', force=0):
"""Function for creating a grace '.agr' file.
Keyword Arguments
~~~~~~~~~~~~~~~~~
-
- run: The name of the run.
x_data_type: The data type for the X-axis (no regular expression is
allowed).
@@ -165,27 +163,27 @@
Examples
~~~~~~~~
- To write the NOE values for all residues from the run 'noe' to the
Grace file 'noe.agr',
+ To write the NOE values for all residues to the Grace file 'noe.agr',
type:
- relax> grace.write('noe', 'res', 'noe', file='noe.agr')
- relax> grace.write('noe', y_data_type='noe', file='noe.agr')
- relax> grace.write('noe', x_data_type='res', y_data_type='noe',
file='noe.agr')
- relax> grace.write(run='noe', y_data_type='noe', file='noe.agr',
force=1)
+ relax> grace.write('res', 'noe', file='noe.agr')
+ relax> grace.write(y_data_type='noe', file='noe.agr')
+ relax> grace.write(x_data_type='res', y_data_type='noe',
file='noe.agr')
+ relax> grace.write(y_data_type='noe', file='noe.agr', force=1)
To create a Grace file of 'S2' vs. 'te' for all residues, type:
- relax> grace.write('m2', 'S2', 'te', file='s2_te.agr')
- relax> grace.write('m2', x_data_type='S2', y_data_type='te',
file='s2_te.agr')
- relax> grace.write(run='m2', x_data_type='S2', y_data_type='te',
file='s2_te.agr', force=1)
+ relax> grace.write('S2', 'te', file='s2_te.agr')
+ relax> grace.write(x_data_type='S2', y_data_type='te',
file='s2_te.agr')
+ relax> grace.write(x_data_type='S2', y_data_type='te',
file='s2_te.agr', force=1)
To create a Grace file of the Monte Carlo simulation values of 'Rex'
vs. 'te' for residue
123, type:
- relax> grace.write('m4', 'Rex', 'te', res_num=123, plot_data='sims',
file='s2_te.agr')
- relax> grace.write(run='m4', x_data_type='Rex', y_data_type='te',
res_num=123,
+ relax> grace.write('Rex', 'te', res_num=123, plot_data='sims',
file='s2_te.agr')
+ relax> grace.write(x_data_type='Rex', y_data_type='te', res_num=123,
plot_data='sims', file='s2_te.agr')
@@ -203,8 +201,7 @@
# Function intro text.
if self.__relax__.interpreter.intro:
text = sys.ps3 + "grace.write("
- text = text + "run=" + `run`
- text = text + ", x_data_type=" + `x_data_type`
+ text = text + "x_data_type=" + `x_data_type`
text = text + ", y_data_type=" + `y_data_type`
text = text + ", res_num=" + `res_num`
text = text + ", res_name=" + `res_name`
@@ -215,10 +212,6 @@
text = text + ", force=" + `force` + ")"
print text
- # The run name.
- if type(run) != str:
- raise RelaxStrError, ('run', run)
-
# Data type for x-axis.
if type(x_data_type) != str:
raise RelaxStrError, ('x data type', x_data_type)
@@ -252,7 +245,7 @@
raise RelaxBinError, ('force flag', force)
# Execute the functional code.
- self.__relax__.generic.grace.write(run=run, x_data_type=x_data_type,
y_data_type=y_data_type, res_num=res_num, res_name=res_name,
plot_data=plot_data, norm=norm, file=file, dir=dir, force=force)
+ grace_obj.write(x_data_type=x_data_type, y_data_type=y_data_type,
res_num=res_num, res_name=res_name, plot_data=plot_data, norm=norm,
file=file, dir=dir, force=force)
r5261 - /1.3/prompt/grace.py