Author: bugman Date: Wed Apr 16 21:52:13 2008 New Revision: 5800 URL: http://svn.gna.org/viewcvs/relax?rev=5800&view=rev Log: Removed all references to 'self' in the extract() function. 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=5800&r1=5799&r2=5800&view=diff ============================================================================== --- 1.3/generic_fns/palmer.py (original) +++ 1.3/generic_fns/palmer.py Wed Apr 16 21:52:13 2008 @@ -485,13 +485,16 @@ def extract(dir, spin_id=None): - """Function for extracting the Modelfree4 results out of the 'mfout' file.""" + """Extract the Modelfree4 results out of the 'mfout' file. + + @param dir: The directory containing the 'mfout' file. + @type dir: str or None + @keyword spin_id: The spin identification string. + @type spin_id: str or None + """ # Alias the current data pipe. cdp = relax_data_store[relax_data_store.current_pipe] - - # Arguments. - self.pipe = pipe # Test if sequence data is loaded. if not exists_mol_res_spin_data(): @@ -509,17 +512,17 @@ # Open the file. mfout_file = open(dir + "/mfout", 'r') - self.mfout_lines = mfout_file.readlines() + mfout_lines = mfout_file.readlines() mfout_file.close() # Get the section line positions of the mfout file. - self.line_positions() + line_positions() # Find out if simulations were carried out. sims = 0 - for i in xrange(len(self.mfout_lines)): - if search('_iterations', self.mfout_lines[i]): - row = split(self.mfout_lines[i]) + for i in xrange(len(mfout_lines)): + if search('_iterations', mfout_lines[i]): + row = split(mfout_lines[i]) sims = int(row[1]) # Loop over the sequence. @@ -540,41 +543,41 @@ # Get the S2 data. if 'S2' in spin.params: - spin.s2, spin.s2_err = self.get_mf_data(self.mfout_S2_pos + pos) + spin.s2, spin.s2_err = get_mf_data(mfout_S2_pos + pos) # Get the S2f data. if 'S2f' in spin.params or 'S2s' in spin.params: - spin.s2f, spin.s2f_err = self.get_mf_data(self.mfout_S2f_pos + pos) + spin.s2f, spin.s2f_err = get_mf_data(mfout_S2f_pos + pos) # Get the S2s data. if 'S2f' in spin.params or 'S2s' in spin.params: - spin.s2s, spin.s2s_err = self.get_mf_data(self.mfout_S2s_pos + pos) + spin.s2s, spin.s2s_err = get_mf_data(mfout_S2s_pos + pos) # Get the te data. if 'te' in spin.params: - spin.te, spin.te_err = self.get_mf_data(self.mfout_te_pos + pos) + spin.te, spin.te_err = get_mf_data(mfout_te_pos + pos) spin.te = spin.te / 1e12 spin.te_err = spin.te_err / 1e12 # Get the ts data. if 'ts' in spin.params: - spin.ts, spin.ts_err = self.get_mf_data(self.mfout_te_pos + pos) + spin.ts, spin.ts_err = get_mf_data(mfout_te_pos + pos) spin.ts = spin.ts / 1e12 spin.ts_err = spin.ts_err / 1e12 # Get the Rex data. if 'Rex' in spin.params: - spin.rex, spin.rex_err = self.get_mf_data(self.mfout_Rex_pos + pos) + spin.rex, spin.rex_err = get_mf_data(mfout_Rex_pos + pos) spin.rex = spin.rex / (2.0 * pi * spin.frq[0])**2 spin.rex_err = spin.rex_err / (2.0 * pi * spin.frq[0])**2 # Get the chi-squared data. if not sims: - row = split(self.mfout_lines[self.mfout_chi2_pos + pos]) + row = split(mfout_lines[mfout_chi2_pos + pos]) spin.chi2 = float(row[1]) else: # The mfout chi2 position (with no sims) plus 2 (for the extra XML) plus the residue position times 22 (because of the simulated SSE rows). - row = split(self.mfout_lines[self.mfout_chi2_pos + 2 + 22*pos]) + row = split(mfout_lines[mfout_chi2_pos + 2 + 22*pos]) spin.chi2 = float(row[1]) # Increment the residue position.