Author: bugman Date: Thu Nov 1 09:26:10 2012 New Revision: 17948 URL: http://svn.gna.org/viewcvs/relax?rev=17948&view=rev Log: Merged revisions 17939,17944-17945 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk ........ r17939 | bugman | 2012-10-31 11:10:10 +0100 (Wed, 31 Oct 2012) | 9 lines Added the MARC archive links to the development chapter of the relax user manual. These links are: http://marc.info/?l=relax-announce&r=1&w=2 http://marc.info/?l=relax-users&r=1&w=2 http://marc.info/?l=relax-devel&r=1&w=2 http://marc.info/?l=relax-commits&r=1&w=2 ........ r17944 | bugman | 2012-10-31 16:40:14 +0100 (Wed, 31 Oct 2012) | 5 lines The model-free overfit deselection algorithm now fails with a RelaxError when no spins are selected. This is to avoid situations such as bug #20277 (https://gna.org/bugs/?20277). ........ r17945 | bugman | 2012-10-31 18:52:32 +0100 (Wed, 31 Oct 2012) | 6 lines Converted the RelaxError introduced in r17944 to a RelaxWarning. There are some cases where deselection of all spins is ok, for example an analysis using the local tm models where some models are run but skipped when they have too many parameters. ........ Modified: branches/frame_order_testing/ (props changed) branches/frame_order_testing/docs/latex/develop.tex branches/frame_order_testing/specific_fns/model_free/main.py Propchange: branches/frame_order_testing/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Thu Nov 1 09:26:10 2012 @@ -1,1 +1,1 @@ -/trunk:1-17931 +/trunk:1-17947 Modified: branches/frame_order_testing/docs/latex/develop.tex URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/docs/latex/develop.tex?rev=17948&r1=17947&r2=17948&view=diff ============================================================================== --- branches/frame_order_testing/docs/latex/develop.tex (original) +++ branches/frame_order_testing/docs/latex/develop.tex Thu Nov 1 09:26:10 2012 @@ -776,6 +776,7 @@ \item[Freecode:] New relax releases are announced not only on the \href{https://mail.gna.org/public/relax-announce/}{relax-announce} mailing list and on the relax \href{https://gna.org/news/?group=relax}{news} pages, but also on \href{http://freecode.com/projects/nmr-relax}{Freecode}. This used to be called Freshmeat. \item[The mail archive:] This site archives all of the relax mailing lists, including \href{http://mail-archive.com/relax-announce@xxxxxxx/}{relax-announce}, \href{http://mail-archive.com/relax-users@xxxxxxx/}{relax-users}, \href{http://mail-archive.com/relax-devel@xxxxxxx/}{relax-devel}, and \href{http://mail-archive.com/relax-commits@xxxxxxx/}{relax-commits}. \item[Gmane:] Pronounced as ``main'', the relax mailing lists are also archived at Gmane in numerous formats. The archived relax mailing lists include relax-announce (\href{http://news.gmane.org/gmane.science.nmr.relax.announce}{thread}, \href{http://blog.gmane.org/gmane.science.nmr.relax.announce}{blog}, \href{nntp://news.gmane.org/gmane.science.nmr.relax.announce}{NNTP}, \href{http://rss.gmane.org/messages/excerpts/gmane.science.nmr.relax.announce}{RSS}), relax-users (\href{http://news.gmane.org/gmane.science.nmr.relax.user}{thread}, \href{http://blog.gmane.org/gmane.science.nmr.relax.user}{blog}, \href{nntp://news.gmane.org/gmane.science.nmr.relax.user}{NNTP}, \href{http://rss.gmane.org/messages/excerpts/gmane.science.nmr.relax.user}{RSS}), relax-devel (\href{http://news.gmane.org/gmane.science.nmr.relax.devel}{thread}, \href{http://blog.gmane.org/gmane.science.nmr.relax.devel}{blog}, \href{nntp://news.gmane.org/gmane.science.nmr.relax.devel}{NNTP}, \href{http://rss.gmane.org/messages/excerpts/gmane.science.nmr.relax.devel}{RSS}), and relax-commits (\href{http://news.gmane.org/gmane.science.nmr.relax.scm}{thread}, \href{http://blog.gmane.org/gmane.science.nmr.relax.scm}{blog}, \href{nntp://news.gmane.org/gmane.science.nmr.relax.scm}{NNTP}, \href{http://rss.gmane.org/messages/excerpts/gmane.science.nmr.relax.scm}{RSS}). +\item[MARC - Mailing list ARChives:] This site archives all of the relax mailing lists, including \href{http://marc.info/?l=relax-announce&r=1&w=2}{relax-announce}, \href{http://marc.info/?l=relax-users&r=1&w=2}{relax-users}, \href{http://marc.info/?l=relax-devel&r=1&w=2}{relax-devel}, and \href{http://marc.info/?l=relax-commits&r=1&w=2}{relax-commits}. \item[CIA.vc:] This is the open source version control informant. CIA tracks open source projects in real-time. The relax real-time open source activity stats page is \href{http://cia.vc/stats/project/relax}{http://cia.vc/stats/project/relax}. This website also has pages for each of the relax developers (in alphabetical order): \href{http://cia.vc/stats/author/bugman}{Edward d'Auvergne}, \href{http://cia.vc/stats/author/michaelbieri}{Michael Bieri}, \href{http://cia.vc/stats/author/macraild}{Chris MacRaild}, \href{http://cia.vc/stats/author/semor}{S\'ebastien Morin}, \href{http://cia.vc/stats/author/pansapiens}{Andrew Perry}, \href{http://cia.vc/stats/author/han87}{Han Sun}, \href{http://cia.vc/stats/author/varioustoxins}{Gary Thompson}. \item[LinuxLinks.com:] LinuxLinks.com, the Linux portal, is a website listing many Linux software projects. relax can be found on the \href{http://linuxlinks.com/Software/Scientific/Biology/Proteins/}{Software:\-Scientific:\-Biology:\-Proteins} page. \item[Softpedia:] This is the encyclopedia of free software downloads. The relax page on Softpedia is \href{http://linux.softpedia.com/get/Science/relax-22351.shtml}{http://linux.softpedia.com/get/Science/relax-22351.shtml}. The relax developers pages are: \href{http://linux.softpedia.com/developer/Edward-d-039-Auvergne-5136.html}{Edward d'Auvergne}. Modified: branches/frame_order_testing/specific_fns/model_free/main.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/specific_fns/model_free/main.py?rev=17948&r1=17947&r2=17948&view=diff ============================================================================== --- branches/frame_order_testing/specific_fns/model_free/main.py (original) +++ branches/frame_order_testing/specific_fns/model_free/main.py Thu Nov 1 09:26:10 2012 @@ -33,7 +33,7 @@ from generic_fns.mol_res_spin import count_spins, exists_mol_res_spin_data, find_index, return_spin, return_spin_from_index, return_spin_indices, spin_loop import specific_fns from relax_errors import RelaxError, RelaxFault, RelaxFuncSetupError, RelaxNoModelError, RelaxNoSequenceError, RelaxNoTensorError, RelaxTensorError -from relax_warnings import RelaxDeselectWarning +from relax_warnings import RelaxDeselectWarning, RelaxWarning from user_functions.data import Uf_tables; uf_tables = Uf_tables() from user_functions.objects import Desc_container @@ -1950,6 +1950,7 @@ # Loop over the sequence. deselect_flag = False + spin_count = 0 for spin, spin_id in spin_loop(return_id=True): # Skip deselected spins. if not spin.select: @@ -2025,6 +2026,13 @@ spin.select = False deselect_flag = True continue + + # Increment the spin number. + spin_count += 1 + + # No spins selected, so fail hard to prevent the user from going any further. + if spin_count == 0: + warn(RelaxWarning("No spins are selected therefore the optimisation or calculation cannot proceed.")) # Final printout. if verbose and not deselect_flag: