Seb, these changes are all good. One thing though is that the
spin_loop() generator is needed to loop over the spins, rather than
"for i in xrange(len(cdp.res)):".
Cheers,
Edward
On Thu, Apr 3, 2008 at 5:42 AM, <sebastien.morin.1@xxxxxxxxx> wrote:
Author: semor
Date: Thu Apr 3 05:42:40 2008
New Revision: 5253
URL: http://svn.gna.org/viewcvs/relax?rev=5253&view=rev
Log:
Started the modification to the new design by :
1. Introducing the alias for the current data pipe (cdp).
2. replacing all instances of 'self.run = run' with the alias for the
current data pipe (cdp) ;
3. introducing the exists_mol_res_spin_data() to replace
'relax_data_store.res.has_key(self.run)' instances.
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=5253&r1=5252&r2=5253&view=diff
==============================================================================
--- 1.3/generic_fns/grace.py (original)
+++ 1.3/generic_fns/grace.py Thu Apr 3 05:42:40 2008
@@ -98,13 +98,13 @@
def get_data(self):
"""Function for getting all the xy data."""
- # Initialise.
- self.data = []
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
# Loop over the residues.
- for i in xrange(len(relax_data_store.res[self.run])):
- # Remap the data structure
'relax_data_store.res[self.run][i]'.
- data = relax_data_store.res[self.run][i]
+ for i in xrange(len(cdp.res)):
+ # Remap the data structure 'cdp.res[i]'.
+ data = 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:
@@ -125,7 +125,7 @@
# Number of data points per residue.
if self.plot_data == 'sim':
- points = relax_data_store.sim_number[self.run]
+ points = cdp.sim_number
else:
points = 1
@@ -201,8 +201,8 @@
raise RelaxNoPipeError, self.run
# Test if the sequence data is loaded.
- if not relax_data_store.res.has_key(self.run):
- raise RelaxNoSequenceError, self.run
+ if not exists_mol_res_spin_data():
+ raise RelaxNoSequenceError
# Test if the residue number is a valid regular expression.
if type(self.res_num) == str:
@@ -336,8 +336,8 @@
# X axis start and end.
if self.x_data_type == 'res':
- self.file.write("@ world xmin " +
`relax_data_store.res[self.run][0].num - 1` + "\n")
- self.file.write("@ world xmax " +
`relax_data_store.res[self.run][-1].num + 1` + "\n")
+ self.file.write("@ world xmin " + `cdp.res[0].num - 1` +
"\n")
+ self.file.write("@ world xmax " + `cdp.res[-1].num + 1` +
"\n")
# X-axis label.
if self.x_data_type == 'res':
@@ -449,8 +449,8 @@
# X axis start and end.
if self.x_data_type == 'res':
- self.file.write("@ world xmin " +
`relax_data_store.res[self.run][0].num - 1` + "\n")
- self.file.write("@ world xmax " +
`relax_data_store.res[self.run][-1].num + 1` + "\n")
+ self.file.write("@ world xmin " + `cdp.res[0].num - 1` +
"\n")
+ self.file.write("@ world xmax " + `cdp.res[-1].num + 1` +
"\n")
# X-axis label.
if self.x_data_type == 'res':
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Re: r5253 - /1.3/generic_fns/grace.py