Author: tlinnet Date: Thu Sep 11 21:31:48 2014 New Revision: 25759 URL: http://svn.gna.org/viewcvs/relax?rev=25759&view=rev Log: Implemented the writing out of a "grace2images.py" script file, when performing auto analysis of exponential fits. Modified: trunk/auto_analyses/relax_fit.py Modified: trunk/auto_analyses/relax_fit.py URL: http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/relax_fit.py?rev=25759&r1=25758&r2=25759&view=diff ============================================================================== --- trunk/auto_analyses/relax_fit.py (original) +++ trunk/auto_analyses/relax_fit.py Thu Sep 11 21:31:48 2014 @@ -23,16 +23,19 @@ """The automatic relaxation curve fitting protocol.""" # Python module imports. -from os import sep +from os import chmod, sep +from os.path import expanduser +from stat import S_IRWXU, S_IRGRP, S_IROTH import sys # relax module imports. +from lib.io import get_file_path, open_write_file +from lib.software.grace import script_grace2images from lib.text.sectioning import section from pipe_control.mol_res_spin import spin_loop from pipe_control.pipes import cdp_name, has_pipe, switch from prompt.interpreter import Interpreter from status import Status; status = Status() - class Relax_fit: @@ -138,6 +141,26 @@ self.interpreter.grace.write(x_data_type='relax_times', y_data_type='peak_intensity', file='intensities.agr', dir=self.grace_dir, force=True) # Average peak intensities. self.interpreter.grace.write(x_data_type='relax_times', y_data_type='peak_intensity', norm=True, file='intensities_norm.agr', dir=self.grace_dir, force=True) # Average peak intensities (normalised). + # Write a python "grace to PNG/EPS/SVG..." conversion script. + # Open the file for writing. + file_name = "grace2images.py" + file_path = get_file_path(file_name=file_name, dir=self.grace_dir) + file = open_write_file(file_name=file_name, dir=self.grace_dir, force=True) + + # Write the file. + script_grace2images(file=file) + + # Close the batch script, then make it executable (expanding any ~ characters). + file.close() + + if self.grace_dir: + dir = expanduser(self.grace_dir) + chmod(dir + sep + file_name, S_IRWXU|S_IRGRP|S_IROTH) + else: + file_name = expanduser(file_name) + chmod(file_name, S_IRWXU|S_IRGRP|S_IROTH) + + # Display the Grace plots if selected. if self.view_plots: self.interpreter.grace.view(file='chi2.agr', dir=self.grace_dir)