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, <[EMAIL PROTECTED]> 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': > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-commits mailing list > [EMAIL PROTECTED] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-commits > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
