r5253 - /1.3/generic_fns/grace.py -- April 03, 2008 - 06:08

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':