Author: bugman
Date: Thu Nov 1 09:25:35 2012
New Revision: 17947
URL: http://svn.gna.org/viewcvs/relax?rev=17947&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/inversion-recovery/ (props changed)
branches/inversion-recovery/docs/latex/develop.tex
branches/inversion-recovery/specific_fns/model_free/main.py
Propchange: branches/inversion-recovery/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Thu Nov 1 09:25:35 2012
@@ -1,1 +1,1 @@
-/trunk:1-17932
+/trunk:1-17945
Modified: branches/inversion-recovery/docs/latex/develop.tex
URL:
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/docs/latex/develop.tex?rev=17947&r1=17946&r2=17947&view=diff
==============================================================================
--- branches/inversion-recovery/docs/latex/develop.tex (original)
+++ branches/inversion-recovery/docs/latex/develop.tex Thu Nov 1 09:25:35
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/inversion-recovery/specific_fns/model_free/main.py
URL:
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/specific_fns/model_free/main.py?rev=17947&r1=17946&r2=17947&view=diff
==============================================================================
--- branches/inversion-recovery/specific_fns/model_free/main.py (original)
+++ branches/inversion-recovery/specific_fns/model_free/main.py Thu Nov 1
09:25:35 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:
r17947 - in /branches/inversion-recovery: ./ docs/latex/develop.tex specific_fns/model_free/main.py