Hi, I've found one bug below. Note though that this is an ancient bug I introduced many, many years ago and affects the code for catching the Modelfree fused column bug (https://mail.gna.org/public/relax-users/2008-04/msg00018.html, Message-id: <[EMAIL PROTECTED]>).
On Sat, Apr 12, 2008 at 10:39 PM, <[EMAIL PROTECTED]> wrote: > Author: semor > Date: Sat Apr 12 22:39:33 2008 > New Revision: 5607 > > URL: http://svn.gna.org/viewcvs/relax?rev=5607&view=rev > Log: > Corrected more of the bugs introduced in former revisions as part of the > move to the new design. > > These were spotted by Edward d'Auvergne in a post at: > https://mail.gna.org/public/relax-devel/2008-04/msg00056.html (# Message-id: > <[EMAIL PROTECTED]>) > > > Modified: > 1.3/generic_fns/palmer.py > > Modified: 1.3/generic_fns/palmer.py > URL: > http://svn.gna.org/viewcvs/relax/1.3/generic_fns/palmer.py?rev=5607&r1=5606&r2=5607&view=diff > > ============================================================================== > --- 1.3/generic_fns/palmer.py (original) > +++ 1.3/generic_fns/palmer.py Sat Apr 12 22:39:33 2008 > @@ -505,7 +505,7 @@ > chdir(orig_dir) > > > - def extract(self, dir): > + def extract(self, dir, spin_id=None): > """Function for extracting the Modelfree4 results out of the 'mfout' > file.""" > > # Alias the current data pipe. > @@ -545,65 +545,63 @@ > > # Loop over the sequence. > pos = 0 > - for i in xrange(len(cdp.res)): > - # Reassign the data structure. > - data = cdp.res[i] > + for spin in spin_loop(spin_id): > > # Skip unselected residues. > - if not data.select: > + if not spin.select: > continue > > # Missing data sets. > - if not hasattr(data, 'model'): > + if not hasattr(spin, 'model'): > continue > > # No relaxation data. > - if not hasattr(data, 'num_frq'): > + if not hasattr(spin, 'num_frq'): > continue > > # Get the S2 data. > - if 'S2' in data.params: > - data.s2, data.s2_err = self.get_mf_data(self.mfout_S2_pos + > pos) > + if 'S2' in spin.params: > + spin.s2, spin.s2_err = self.get_mf_data(self.mfout_S2_pos + > pos) > > # Get the S2f data. > - if 'S2f' in data.params or 'S2s' in data.params: > - data.s2f, data.s2f_err = > self.get_mf_data(self.mfout_S2f_pos + pos) > + if 'S2f' in spin.params or 'S2s' in spin.params: > + spin.s2f, spin.s2f_err = > self.get_mf_data(self.mfout_S2f_pos + pos) > > # Get the S2s data. > - if 'S2f' in data.params or 'S2s' in data.params: > - data.s2s, data.s2s_err = > self.get_mf_data(self.mfout_S2s_pos + pos) > + if 'S2f' in spin.params or 'S2s' in spin.params: > + spin.s2s, spin.s2s_err = > self.get_mf_data(self.mfout_S2s_pos + pos) > > # Get the te data. > - if 'te' in data.params: > - data.te, data.te_err = self.get_mf_data(self.mfout_te_pos + > pos) > - data.te = data.te / 1e12 > - data.te_err = data.te_err / 1e12 > + if 'te' in spin.params: > + spin.te, spin.te_err = self.get_mf_data(self.mfout_te_pos + > pos) > + spin.te = spin.te / 1e12 > + spin.te_err = spin.te_err / 1e12 > > # Get the ts data. > - if 'ts' in data.params: > - data.ts, data.ts_err = self.get_mf_data(self.mfout_te_pos + > pos) > - data.ts = data.ts / 1e12 > - data.ts_err = data.ts_err / 1e12 > + if 'ts' in spin.params: > + spin.ts, spin.ts_err = self.get_mf_data(self.mfout_te_pos + > pos) > + spin.ts = spin.ts / 1e12 > + spin.ts_err = spin.ts_err / 1e12 > > # Get the Rex data. > - if 'Rex' in data.params: > - data.rex, data.rex_err = > self.get_mf_data(self.mfout_Rex_pos + pos) > + if 'Rex' in spin.params: > + spin.rex, spin.rex_err = > self.get_mf_data(self.mfout_Rex_pos + pos) > try: > - data.rex = data.rex / (2.0 * pi * data.frq[0])**2 > - data.rex_err = data.rex_err / (2.0 * pi * > data.frq[0])**2 > + spin.rex = spin.rex / (2.0 * pi * spin.frq[0])**2 > + spin.rex_err = spin.rex_err / (2.0 * pi * > spin.frq[0])**2 > except TypeError: > # Bug in Modelfree4's mfout output file (fusion of > columns). > - data.rex = None > - data_rex_err = None > + spin.rex = None > + spin_rex_err = None Here is my bug. The last line should read 'spin.rex_eror = None' rather than 'spin_res_error'. I'll fix this bug in both the 1.2 and 1.3 lines. Cheers, Edward _______________________________________________ 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
