Hi,
I've found a few more bugs that have been introduced, please see below.
On Thu, Apr 3, 2008 at 7:04 PM, <sebastien.morin.1@xxxxxxxxx> wrote:
Author: semor
Date: Thu Apr 3 19:04:26 2008
New Revision: 5268
URL: http://svn.gna.org/viewcvs/relax?rev=5268&view=rev
Log:
Changed "for i in xrange(len(cdp.res)):" to the spin_loop.
This was proposed by Edward d'Auvergne in a post at :
https://mail.gna.org/public/relax-devel/2008-04/msg00012.html (Message-id:
<7f080ed10804030926p4be2e72apa2ccef85a9062e57@xxxxxxxxxxxxxx>)
Modified:
1.3/generic_fns/grace.py
Modified: 1.3/generic_fns/grace.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/grace.py?rev=5268&r1=5267&r2=5268&view=diff
==============================================================================
--- 1.3/generic_fns/grace.py (original)
+++ 1.3/generic_fns/grace.py Thu Apr 3 19:04:26 2008
@@ -102,29 +102,29 @@
cdp = relax_data_store[relax_data_store.current_pipe]
# Loop over the residues.
- for i in xrange(len(cdp.res)):
+ for spin in spin_loop(spin_id):
# Remap the data structure 'cdp.res[i]'.
- data = cdp.res[i]
+ spin = cdp.res[i]
# Skip the residue if there is no match to 'self.res_num'
(unless it is None).
if type(self.res_num) == int:
- if not data.num == self.res_num:
+ if not spin.num == self.res_num:
continue
elif type(self.res_num) == str:
- if not match(self.res_num, `data.num`):
+ if not match(self.res_num, `spin.num`):
continue
# Skip the residue if there is no match to 'self.res_name'
(unless it is None).
if self.res_name != None:
- if not match(self.res_name, data.name):
+ if not match(self.res_name, spin.name):
continue
# Skip deselected residues.
- if not data.select:
+ if not spin.select:
continue
# Number of data points per residue.
- if self.plot_data == 'sim':
+ if self.plot_spin == 'sim':
This variable should not have changed. Maybe this was introduced by a
global search and replace?
points = cdp.sim_number
else:
points = 1
@@ -132,43 +132,43 @@
# Loop over the data points.
for j in xrange(points):
# Initialise an empty array for the individual residue
data.
- res_data = [data.num, data.name, None, None, None, None]
+ res_spin = [spin.num, spin.name, None, None, None, None]
Again global replace? res_data should not be renamed.
# Residue number on the x-axis.
- if self.x_data_type == 'res':
- res_data[2] = data.num
+ if self.x_spin_type == 'res':
+ res_spin[2] = spin.num
Both self.x_data_type and res_data should not have changed names.
Many of the changes below this have variables which shouldn't have had
name changes, but I don't think I need to point out each one. They
are quite numerous, so maybe it would be best to revert this revision,
and start again?
Cheers,
Edward
# Parameter value for the x-axis.
else:
# Get the x-axis values and errors.
- if self.plot_data == 'sim':
- res_data[2], res_data[3] =
self.x_return_value(self.run, i, self.x_data_type, sim=j)
+ if self.plot_spin == 'sim':
+ res_spin[2], res_spin[3] =
self.x_return_value(self.run, i, self.x_spin_type, sim=j)
else:
- res_data[2], res_data[3] =
self.x_return_value(self.run, i, self.x_data_type)
+ res_spin[2], res_spin[3] =
self.x_return_value(self.run, i, self.x_spin_type)
# Get the y-axis values and errors.
- if self.plot_data == 'sim':
- res_data[4], res_data[5] =
self.y_return_value(self.run, i, self.y_data_type, sim=j)
+ if self.plot_spin == 'sim':
+ res_spin[4], res_spin[5] =
self.y_return_value(self.run, i, self.y_spin_type, sim=j)
else:
- res_data[4], res_data[5] =
self.y_return_value(self.run, i, self.y_data_type)
+ res_spin[4], res_spin[5] =
self.y_return_value(self.run, i, self.y_spin_type)
# Go to the next residue if there is missing data.
- if res_data[2] == None or res_data[4] == None:
+ if res_spin[2] == None or res_spin[4] == None:
continue
# X-axis conversion factors.
- if self.x_data_type != 'res':
- res_data[2] = array(res_data[2]) /
self.x_return_conversion_factor(self.x_data_type)
- if res_data[3]:
- res_data[3] = array(res_data[3]) /
self.x_return_conversion_factor(self.x_data_type)
+ if self.x_spin_type != 'res':
+ res_spin[2] = array(res_spin[2]) /
self.x_return_conversion_factor(self.x_spin_type)
+ if res_spin[3]:
+ res_spin[3] = array(res_spin[3]) /
self.x_return_conversion_factor(self.x_spin_type)
# Y-axis conversion factors.
- res_data[4] = array(res_data[4]) /
self.y_return_conversion_factor(self.y_data_type)
- if res_data[5]:
- res_data[5] = array(res_data[5]) /
self.y_return_conversion_factor(self.y_data_type)
+ res_spin[4] = array(res_spin[4]) /
self.y_return_conversion_factor(self.y_spin_type)
+ if res_spin[5]:
+ res_spin[5] = array(res_spin[5]) /
self.y_return_conversion_factor(self.y_spin_type)
# Append the array to the full data structure.
- self.data.append(res_data)
+ self.spin.append(res_spin)
def view(self, file=None, dir=None, grace_exe='xmgrace'):
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Re: r5268 - /1.3/generic_fns/grace.py