Hi, I've found a few more bugs that have been introduced, please see below.
On Thu, Apr 3, 2008 at 7:04 PM, <[EMAIL PROTECTED]> 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: > <[EMAIL PROTECTED]>) > > > 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'): > > > _______________________________________________ > 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
