Re: r10993 - /branches/bieri_gui/auto_analyses/relax_fit.pyRe: r10993 - /branches/bieri_gui/auto_analyses/relax_fit.pyHi Michael, I've now tested the merging, and luckily everything is now fine! There is one conflict in dep_check.py, but this is an easy one for me to fix and was my fault anyway (I added a check for the wx package in the 1.3 line, which you had already added to the branch). This is lucky. All the revisions changing auto_analyses.relax_fit were applied one by one to the 1.3 line, but in the end the code was reverted by the last revision I made (r11003). So 'svn st' shows auto_analyses.relax_fit to be unchanged. This is quite lucky, I've had some quite mangled branches where I had to manually port certain parts back to the main line. Anyway, I won't commit this merge and will wait until the branch is ready for release before really merging it. Cheers, Edward P. S. Here are the messages from the merge process: [edau@localhost relax-1.3]$ svnmerge.py merge --bidirectional property 'svnmerge-integrated' set on '.' --- Merging r9878 through r9989 into '.': C dep_check.py A gui_bieri A gui_bieri/__init__.py A gui_bieri/relax_gui.py A gui_bieri/res A gui_bieri/res/about.py A gui_bieri/res/__init__.py A gui_bieri/res/settings.py A gui_bieri/res/easygui.py A gui_bieri/res/pics A gui_bieri/res/pics/relax.gif A gui_bieri/res/pics/start.png A gui_bieri/res/pics/modelfree.png A gui_bieri/res/pics/noe.gif A gui_bieri/res/pics/t1.png A gui_bieri/res/pics/t2.png A gui_bieri/res/pics/relax_start.gif A gui_bieri/README U relax Summary of conflicts: Text conflicts: 1 property 'svnmerge-integrated' set on '.' --- Merging r10085 through r10093 into '.': U gui_bieri/relax_gui.py A gui_bieri/res/calc_rx.py A gui_bieri/res/filedialog.py A gui_bieri/res/select_model_calc.py A gui_bieri/res/calc_noe.py A gui_bieri/res/calc_modelfree.py A gui_bieri/res/message.py A gui_bieri/res/results_analysis.py A gui_bieri/res/project.py property 'svnmerge-integrated' set on '.' --- Merging r10206 through r10238 into '.': G gui_bieri/relax_gui.py U gui_bieri/res/calc_rx.py U gui_bieri/res/filedialog.py U gui_bieri/res/settings.py U gui_bieri/res/select_model_calc.py U gui_bieri/res/calc_noe.py U gui_bieri/res/calc_modelfree.py U gui_bieri/res/message.py U gui_bieri/res/results_analysis.py U gui_bieri/res/project.py A gui_bieri/res/pics/r1.png A gui_bieri/res/pics/r2.png D gui_bieri/res/pics/t1.png D gui_bieri/res/pics/t2.png property 'svnmerge-integrated' set on '.' --- Merging r10246 through r10293 into '.': A gui_bieri/analyses A gui_bieri/analyses/relax_control.py A gui_bieri/analyses/__init__.py A gui_bieri/analyses/select_model_calc.py A gui_bieri/analyses/results_analysis.py A gui_bieri/analyses/project.py A gui_bieri/about.py A gui_bieri/execution A gui_bieri/execution/calc_rx.py A gui_bieri/execution/__init__.py A gui_bieri/execution/calc_noe.py A gui_bieri/execution/calc_modelfree.py A gui_bieri/oxygen_icons A gui_bieri/oxygen_icons/22x22 A gui_bieri/oxygen_icons/22x22/places A gui_bieri/oxygen_icons/22x22/places/folder-tar.png A gui_bieri/oxygen_icons/22x22/places/folder-brown.png A gui_bieri/oxygen_icons/22x22/places/folder-blue.png A gui_bieri/oxygen_icons/22x22/places/folder-sound.png A gui_bieri/oxygen_icons/22x22/places/folder-downloads.png A gui_bieri/oxygen_icons/22x22/places/folder-cyan.png A gui_bieri/oxygen_icons/22x22/places/folder-remote.png A gui_bieri/oxygen_icons/22x22/places/folder-print.png A gui_bieri/oxygen_icons/22x22/places/folder-green.png A gui_bieri/oxygen_icons/22x22/places/folder-locked.png A gui_bieri/oxygen_icons/22x22/places/folder-documents.png A gui_bieri/oxygen_icons/22x22/places/folder-favorites.png A gui_bieri/oxygen_icons/22x22/places/folder-violet.png A gui_bieri/oxygen_icons/22x22/places/folder.png A gui_bieri/oxygen_icons/22x22/places/folder-html.png A gui_bieri/oxygen_icons/22x22/places/folder-bookmark.png A gui_bieri/oxygen_icons/22x22/places/folder-grey.png A gui_bieri/oxygen_icons/22x22/places/folder-video.png A gui_bieri/oxygen_icons/22x22/places/folder-red.png A gui_bieri/oxygen_icons/22x22/places/folder-orange.png A gui_bieri/oxygen_icons/22x22/places/folder-yellow.png A gui_bieri/oxygen_icons/22x22/places/folder-important.png A gui_bieri/oxygen_icons/22x22/places/folder-txt.png A gui_bieri/oxygen_icons/22x22/places/folder-image.png A gui_bieri/oxygen_icons/22x22/places/folder-development.png A gui_bieri/oxygen_icons/16x16 A gui_bieri/oxygen_icons/16x16/actions A gui_bieri/oxygen_icons/16x16/actions/document-open.png A gui_bieri/oxygen_icons/16x16/actions/mail-mark-unread-new.png A gui_bieri/oxygen_icons/16x16/actions/system-shutdown.png A gui_bieri/oxygen_icons/16x16/actions/flag-blue.png A gui_bieri/oxygen_icons/16x16/actions/help-contents.png A gui_bieri/oxygen_icons/16x16/actions/arrow-right.png A gui_bieri/oxygen_icons/16x16/actions/document-new.png A gui_bieri/oxygen_icons/16x16/actions/edit-delete.png A gui_bieri/oxygen_icons/16x16/actions/document-properties.png A gui_bieri/oxygen_icons/16x16/actions/document-save.png A gui_bieri/oxygen_icons/16x16/actions/document-save-as.png A gui_bieri/oxygen_icons/16x16/categories A gui_bieri/oxygen_icons/16x16/categories/preferences-system.png A gui_bieri/oxygen_icons/COPYING A gui_bieri/images A gui_bieri/images/relax.gif A gui_bieri/images/start.png A gui_bieri/images/ellipsoid.jpg A gui_bieri/images/relax_16x16.png A gui_bieri/images/modelfree.png A gui_bieri/images/noe.gif A gui_bieri/images/oblate.jpg A gui_bieri/images/prolate.jpg A gui_bieri/images/r1.png A gui_bieri/images/sphere.jpg A gui_bieri/images/r2.png A gui_bieri/images/relax_start.gif U gui_bieri/__init__.py A gui_bieri/filedialog.py A gui_bieri/paths.py G gui_bieri/relax_gui.py A gui_bieri/settings.py D gui_bieri/res/select_model_calc.py D gui_bieri/res/calc_noe.py D gui_bieri/res/calc_modelfree.py D gui_bieri/res/message.py D gui_bieri/res/results_analysis.py D gui_bieri/res/project.py D gui_bieri/res/pics D gui_bieri/res/about.py D gui_bieri/res/calc_rx.py D gui_bieri/res/__init__.py D gui_bieri/res/filedialog.py D gui_bieri/res/settings.py A gui_bieri/message.py property 'svnmerge-integrated' set on '.' --- Merging r10295 into '.': U gui_bieri/analyses/relax_control.py UU gui_bieri/analyses/select_model_calc.py U gui_bieri/analyses/results_analysis.py U gui_bieri/analyses/project.py U gui_bieri/about.py U gui_bieri/execution/calc_rx.py U gui_bieri/execution/calc_noe.py U gui_bieri/execution/calc_modelfree.py G gui_bieri/__init__.py U gui_bieri/filedialog.py G gui_bieri/relax_gui.py U gui_bieri/settings.py U gui_bieri/message.py property 'svnmerge-integrated' set on '.' --- Merging r10332 through r10403 into '.': A gui_bieri/analyses/auto_model_free.py G gui_bieri/analyses/relax_control.py G gui_bieri/analyses/select_model_calc.py G gui_bieri/execution/calc_modelfree.py A gui_bieri/derived_wx_classes.py G gui_bieri/__init__.py G gui_bieri/filedialog.py G gui_bieri/relax_gui.py A data/gui.py U data/data_classes.py property 'svnmerge-integrated' set on '.' --- Merging r10406 through r10430 into '.': U gui_bieri/analyses/auto_model_free.py G gui_bieri/execution/calc_modelfree.py G gui_bieri/relax_gui.py U data/__init__.py U data/gui.py G data/data_classes.py property 'svnmerge-integrated' set on '.' --- Merging r10437 through r10444 into '.': G gui_bieri/analyses/auto_model_free.py G gui_bieri/relax_gui.py G data/gui.py property 'svnmerge-integrated' set on '.' --- Merging r10446 through r10449 into '.': G gui_bieri/analyses/auto_model_free.py G gui_bieri/relax_gui.py property 'svnmerge-integrated' set on '.' --- Merging r10452 through r10463 into '.': G gui_bieri/analyses/auto_model_free.py G gui_bieri/relax_gui.py G data/__init__.py G data/gui.py G data/data_classes.py property 'svnmerge-integrated' set on '.' --- Merging r10465 through r10625 into '.': G gui_bieri/analyses/auto_model_free.py A gui_bieri/analyses/auto_noe.py A gui_bieri/analyses/auto_r1.py A gui_bieri/analyses/auto_r2.py A gui_bieri/analyses/auto_rx_base.py G gui_bieri/analyses/select_model_calc.py D gui_bieri/analyses/relax_control.py A gui_bieri/misc.py A gui_bieri/components A gui_bieri/components/__init__.py A gui_bieri/components/spectrum.py G gui_bieri/filedialog.py G gui_bieri/__init__.py G gui_bieri/about.py D gui_bieri/execution/calc_modelfree.py A gui_bieri/oxygen_icons/48x48 A gui_bieri/oxygen_icons/48x48/actions A gui_bieri/oxygen_icons/48x48/actions/list-add-relax-blue.png A gui_bieri/oxygen_icons/48x48/actions/list-add.png A gui_bieri/oxygen_icons/48x48/actions/dialog-cancel.png A gui_bieri/oxygen_icons/48x48/actions/list-remove.png A gui_bieri/oxygen_icons/48x48/actions/README A gui_bieri/oxygen_icons/16x16/actions/list-add-relax-blue.png A gui_bieri/oxygen_icons/16x16/actions/list-add.png A gui_bieri/oxygen_icons/16x16/actions/list-remove.png A gui_bieri/oxygen_icons/16x16/actions/README A gui_bieri/oxygen_icons/16x16/actions/dialog-cancel.png A gui_bieri/oxygen_icons/16x16/apps A gui_bieri/oxygen_icons/16x16/apps/preferences-system-performance.png A gui_bieri/images/ulysses_shadowless_400x168.png A gui_bieri/images/ulysses_shadowless.png G gui_bieri/relax_gui.py U gui_bieri/paths.py A gui_bieri/controller.py G gui_bieri/message.py A gui_bieri/base_classes.py property 'svnmerge-integrated' set on '.' --- Merging r10633 through r10644 into '.': G gui_bieri/__init__.py G gui_bieri/about.py A gui_bieri/images/start_no_alpha.png G gui_bieri/relax_gui.py G relax property 'svnmerge-integrated' set on '.' --- Merging r10647 through r10651 into '.': G gui_bieri/about.py property 'svnmerge-integrated' set on '.' --- Merging r10654 through r10667 into '.': G gui_bieri/__init__.py G gui_bieri/about.py G gui_bieri/relax_gui.py G gui_bieri/message.py G relax property 'svnmerge-integrated' set on '.' --- Merging r10673 into '.': G gui_bieri/about.py property 'svnmerge-integrated' set on '.' --- Merging r10677 through r10679 into '.': G gui_bieri/relax_gui.py property 'svnmerge-integrated' set on '.' --- Merging r10682 through r10686 into '.': U gui_bieri/analyses/auto_rx_base.py property 'svnmerge-integrated' set on '.' --- Merging r10695 through r10698 into '.': G gui_bieri/analyses/auto_rx_base.py G gui_bieri/settings.py G gui_bieri/relax_gui.py property 'svnmerge-integrated' set on '.' --- Merging r10701 through r10702 into '.': A gui_bieri/oxygen_icons/48x48/actions/go-previous-view.png A gui_bieri/oxygen_icons/48x48/actions/go-next-view.png G gui_bieri/paths.py G gui_bieri/relax_gui.py A gui_bieri/references.py property 'svnmerge-integrated' set on '.' --- Merging r10706 into '.': U gui_bieri/references.py property 'svnmerge-integrated' set on '.' --- Merging r10875 through r10995 into '.': G gui_bieri/analyses/auto_model_free.py U gui_bieri/analyses/auto_noe.py G gui_bieri/analyses/auto_rx_base.py A gui_bieri/images/noe.png D gui_bieri/images/noe.gif G gui_bieri/relax_gui.py U gui_bieri/controller.py U auto_analyses/relax_fit.py G data/__init__.py property 'svnmerge-integrated' set on '.' --- Merging r10997 through r11003 into '.': G gui_bieri/controller.py G auto_analyses/relax_fit.py property 'svnmerge-integrated' set on '.' And to check the changes: [edau@localhost relax-1.3]$ svn st M . ? dep_check.py.merge-left.r9877 ? minfx ? svnmerge-commit-message.txt ? status_thread_safe.py ? dep_check.py.merge-right.r9989 ? test_status.py ? dep_check.py.working ? maths_fns/relax_fit.so ? docs/relax.pdf ? docs/api ? docs/latex/docstring.tex C dep_check.py A + gui_bieri A + gui_bieri/analyses A + gui_bieri/analyses/auto_model_free.py A + gui_bieri/analyses/auto_noe.py A + gui_bieri/analyses/auto_r1.py A + gui_bieri/analyses/auto_r2.py A + gui_bieri/analyses/auto_rx_base.py A + gui_bieri/analyses/__init__.py A + gui_bieri/analyses/select_model_calc.py A + gui_bieri/analyses/results_analysis.py A + gui_bieri/analyses/project.py A + gui_bieri/misc.py A + gui_bieri/components A + gui_bieri/components/__init__.py A + gui_bieri/components/spectrum.py A + gui_bieri/filedialog.py A + gui_bieri/__init__.py A + gui_bieri/settings.py A + gui_bieri/res A + gui_bieri/res/easygui.py A + gui_bieri/README A + gui_bieri/about.py A + gui_bieri/execution A + gui_bieri/execution/calc_rx.py A + gui_bieri/execution/__init__.py A + gui_bieri/execution/calc_noe.py A + gui_bieri/derived_wx_classes.py A + gui_bieri/oxygen_icons A + gui_bieri/oxygen_icons/22x22 A + gui_bieri/oxygen_icons/22x22/places A + gui_bieri/oxygen_icons/22x22/places/folder-tar.png A + gui_bieri/oxygen_icons/22x22/places/folder-brown.png A + gui_bieri/oxygen_icons/22x22/places/folder-blue.png A + gui_bieri/oxygen_icons/22x22/places/folder-sound.png A + gui_bieri/oxygen_icons/22x22/places/folder-downloads.png A + gui_bieri/oxygen_icons/22x22/places/folder-cyan.png A + gui_bieri/oxygen_icons/22x22/places/folder-remote.png A + gui_bieri/oxygen_icons/22x22/places/folder-print.png A + gui_bieri/oxygen_icons/22x22/places/folder-green.png A + gui_bieri/oxygen_icons/22x22/places/folder-locked.png A + gui_bieri/oxygen_icons/22x22/places/folder-documents.png A + gui_bieri/oxygen_icons/22x22/places/folder-favorites.png A + gui_bieri/oxygen_icons/22x22/places/folder-violet.png A + gui_bieri/oxygen_icons/22x22/places/folder.png A + gui_bieri/oxygen_icons/22x22/places/folder-html.png A + gui_bieri/oxygen_icons/22x22/places/folder-bookmark.png A + gui_bieri/oxygen_icons/22x22/places/folder-grey.png A + gui_bieri/oxygen_icons/22x22/places/folder-video.png A + gui_bieri/oxygen_icons/22x22/places/folder-red.png A + gui_bieri/oxygen_icons/22x22/places/folder-orange.png A + gui_bieri/oxygen_icons/22x22/places/folder-yellow.png A + gui_bieri/oxygen_icons/22x22/places/folder-important.png A + gui_bieri/oxygen_icons/22x22/places/folder-txt.png A + gui_bieri/oxygen_icons/22x22/places/folder-image.png A + gui_bieri/oxygen_icons/22x22/places/folder-development.png A + gui_bieri/oxygen_icons/48x48 A + gui_bieri/oxygen_icons/48x48/actions A + gui_bieri/oxygen_icons/48x48/actions/list-add-relax-blue.png A + gui_bieri/oxygen_icons/48x48/actions/list-add.png A + gui_bieri/oxygen_icons/48x48/actions/dialog-cancel.png A + gui_bieri/oxygen_icons/48x48/actions/list-remove.png A + gui_bieri/oxygen_icons/48x48/actions/go-previous-view.png A + gui_bieri/oxygen_icons/48x48/actions/go-next-view.png A + gui_bieri/oxygen_icons/48x48/actions/README A + gui_bieri/oxygen_icons/16x16 A + gui_bieri/oxygen_icons/16x16/actions A + gui_bieri/oxygen_icons/16x16/actions/system-shutdown.png A + gui_bieri/oxygen_icons/16x16/actions/flag-blue.png A + gui_bieri/oxygen_icons/16x16/actions/list-add-relax-blue.png A + gui_bieri/oxygen_icons/16x16/actions/list-add.png A + gui_bieri/oxygen_icons/16x16/actions/arrow-right.png A + gui_bieri/oxygen_icons/16x16/actions/document-new.png A + gui_bieri/oxygen_icons/16x16/actions/list-remove.png A + gui_bieri/oxygen_icons/16x16/actions/document-properties.png A + gui_bieri/oxygen_icons/16x16/actions/document-save.png A + gui_bieri/oxygen_icons/16x16/actions/README A + gui_bieri/oxygen_icons/16x16/actions/document-save-as.png A + gui_bieri/oxygen_icons/16x16/actions/document-open.png A + gui_bieri/oxygen_icons/16x16/actions/mail-mark-unread-new.png A + gui_bieri/oxygen_icons/16x16/actions/dialog-cancel.png A + gui_bieri/oxygen_icons/16x16/actions/help-contents.png A + gui_bieri/oxygen_icons/16x16/actions/edit-delete.png A + gui_bieri/oxygen_icons/16x16/apps A + gui_bieri/oxygen_icons/16x16/apps/preferences-system-performance.png A + gui_bieri/oxygen_icons/16x16/categories A + gui_bieri/oxygen_icons/16x16/categories/preferences-system.png A + gui_bieri/oxygen_icons/COPYING A + gui_bieri/images A + gui_bieri/images/relax.gif A + gui_bieri/images/start.png A + gui_bieri/images/start_no_alpha.png A + gui_bieri/images/prolate.jpg A + gui_bieri/images/oblate.jpg A + gui_bieri/images/modelfree.png A + gui_bieri/images/ulysses_shadowless.png A + gui_bieri/images/relax_start.gif A + gui_bieri/images/ulysses_shadowless_400x168.png A + gui_bieri/images/relax_16x16.png A + gui_bieri/images/ellipsoid.jpg A + gui_bieri/images/noe.png A + gui_bieri/images/sphere.jpg A + gui_bieri/images/r1.png A + gui_bieri/images/r2.png A + gui_bieri/paths.py A + gui_bieri/relax_gui.py A + gui_bieri/references.py A + gui_bieri/controller.py A + gui_bieri/message.py A + gui_bieri/base_classes.py M data/__init__.py A + data/gui.py M data/data_classes.py M relax On 15 March 2010 23:32, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:
Hi, I'll look into this and try to revert all the changes. The svn merge -rxxx:xxx command is what must be used in these cases to remove solely the commits to be deleted. The issue comes about with the handling of the branch, especially merging it back. The commits are like little packets that will be applied one by one to the 1.3 line, and if there is anything funny there then the merging process will not know what to do. For example if you would like to remove revisions 45, 46, 48, but not 47, you need to type: $ svn merge -r48:47 . $ svn merge -r46:44 . If there are any conflicts at any point (according to 'svn st') this must be resolved. It would be best to discuss the issue on the mailing list so we can sort out what needs to be done. To fix this will require a series of 'svn merge' commands. I'll see what I can do. Regards, Edward On 15 March 2010 22:16, Michael Bieri <michael.bieri@xxxxxx> wrote:I am sorry, I think I messed it up.... There were a lot of conflicts by reverting the changes made, so I downloaded the initial relax_fit.py script you created and replaced it. The command then was the normal svn diff >patch.... The problem that occurred somehow was that suddenly (after downloading a clean copy), there was a header an about 20 lines of code followed by the same header with the complete code. In this commit, I just deleted the first rubbish code. Edward d'Auvergne schrieb:Hi Michael, Please stop changing this code, otherwise soon I will have to delete the branch and we will have to start again!! I cannot keep track of the revisions going in and out! Please state the exact svnmerge commands you use in the commit messages, this is essential! This commit looks like a deletion by hand rather than a svnmerge command. Which means that the svnmerge command used previously was incorrect (http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/relax_fit.py?rev=10960&r1=10936&r2=10960). Let me try to fix this. But first you need to state the svnmerge commands you have used so far. I will try to recover this so that the bieri_gui branch is not totally and irreversibly corrupted. I might be able to save this by reverting on mass the entire 'auto' directory using svnmerge from the very first revision of this branch until now! I hope this will be enough. If this is a deletion by hand, then the branch cannot be merged back into the 1.3 line. I can check this by merging back into the 1.3 line (without committing the merge). Cheers, Edward On 14 March 2010 23:19, <michael.bieri@xxxxxx> wrote:Author: michaelbieri Date: Sun Mar 14 23:19:55 2010 New Revision: 10993 URL: http://svn.gna.org/viewcvs/relax?rev=10993&view=rev Log: Cleaned up relax_fit.py code, which was broken after revision http://svn.gna.org/viewcvs/relax?rev=10960&view=rev. Modified: branches/bieri_gui/auto_analyses/relax_fit.py Modified: branches/bieri_gui/auto_analyses/relax_fit.py URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/relax_fit.py?rev=10993&r1=10992&r2=10993&view=diff ============================================================================== --- branches/bieri_gui/auto_analyses/relax_fit.py (original) +++ branches/bieri_gui/auto_analyses/relax_fit.py Sun Mar 14 23:19:55 2010 @@ -22,10 +22,6 @@ # Module docstring. """The automatic relaxation curve fitting protocol.""" - -#python modules -import time -from os import sep # relax module imports. from prompt.interpreter import Interpreter @@ -57,96 +53,6 @@ self.relax_times = relax_times self.int_method = int_method self.mc_num = mc_num - self.pdb_file = pdb_file - self.unresolved = unresolved - self.directory = directory - self.grace_dir = self.directory + sep + 'grace' - self.rx_type = rx_type - self.freq = str(freq) - - # User variable checks. - self.check_vars() - - # Load the interpreter. - self.interpreter = Interpreter(show_script=False, quit=False, raise_relax_error=True) - self.interpreter.populate_self() - self.interpreter.on(verbose=False) - - # Execute. - self.run() - - - def run(self): - """Set up and run the curve-fitting.""" - - # Create the data pipe. - self.interpreter.pipe.create(self.pipe_name, 'relax_fit') - - # Load the sequence. - self.interpreter.sequence.read(file=self.seq_args[0], dir=self.seq_args[1], mol_name_col=self.seq_args[2], res_num_col=self.seq_args[3], res_name_col=self.seq_args[4], spin_num_col=self.seq_args[5], spin_name_col=self.seq_args[6], sep=self.seq_args[7]) - - # Loop over the spectra. - for i in xrange(len(self.file_names)): - # Load the peak intensities. - self.interpreter.spectrum.read_intensities(file=self.file_names[i], spectrum_id=self.file_names[i], int_method=self.int_method) - - # Set the relaxation times. - self.interpreter.relax_fit.relax_time(time=self.relax_times[i]), spectrum_id=self.file_names[i]) -############################################################################### -# # -# Copyright (C) 2004-2010 Edward d'Auvergne # -# # -# This file is part of the program relax. # -# # -# relax is free software; you can redistribute it and/or modify # -# it under the terms of the GNU General Public License as published by # -# the Free Software Foundation; either version 2 of the License, or # -# (at your option) any later version. # -# # -# relax is distributed in the hope that it will be useful, # -# but WITHOUT ANY WARRANTY; without even the implied warranty of # -# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # -# GNU General Public License for more details. # -# # -# You should have received a copy of the GNU General Public License # -# along with relax; if not, write to the Free Software # -# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA # -# # -############################################################################### - -# Module docstring. -"""The automatic relaxation curve fitting protocol.""" - -# relax module imports. -from prompt.interpreter import Interpreter - - - -class Relax_fit: - def __init__(self, pipe_name='rx', seq_args=None, file_names=None, relax_times=None, int_method='height', mc_num=500): - """Perform relaxation curve fitting. - - @keyword pipe_name: The name of the data pipe to create. - @type pipe_name: str - @keyword seq_args: The sequence data (file name, dir, mol_name_col, res_num_col, res_name_col, spin_num_col, spin_name_col, sep). These are the arguments to the sequence.read() user function, for more information please see the documentation for that function. - @type seq_args: list of lists of [str, None or str, None or int, None or int, None or int, None or int, None or int, None or int, None or int, None or str] - @keyword file_names: A list of all the peak list file names. - @type file_names: list of str - @keyword relax_times: The list of relaxation times corresponding to file_names. These two lists must be of the same size. - @type relax_times: list of float - @keyword int_method: The integration method, one of 'height', 'point sum' or 'other'. - @type int_method: str - @keyword mc_num: The number of Monte Carlo simulations to be used for error analysis at the end of the analysis. - @type mc_num: int - """ - - # Store the args. - self.pipe_name = pipe_name - self.seq_args = seq_args - self.file_names = file_names - self.relax_times = relax_times - self.int_method = int_method - self.mc_num = mc_num # User variable checks. self.check_vars() _______________________________________________ relax (http://nmr-relax.com) This is the relax-commits mailing list relax-commits@xxxxxxx 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 relax-devel@xxxxxxx 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_______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx 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