Author: bugman
Date: Fri Feb 21 09:08:05 2014
New Revision: 22225
URL: http://svn.gna.org/viewcvs/relax?rev=22225&view=rev
Log:
Modified the spectrum.read_intensities user function frontend to load
multiple files.
This follows from the thread
http://thread.gmane.org/gmane.science.nmr.relax.devel/5057/focus=5062.
Modified:
trunk/user_functions/spectrum.py
Modified: trunk/user_functions/spectrum.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/user_functions/spectrum.py?rev=22225&r1=22224&r2=22225&view=diff
==============================================================================
--- trunk/user_functions/spectrum.py (original)
+++ trunk/user_functions/spectrum.py Fri Feb 21 09:08:05 2014
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2004-2013 Edward d'Auvergne
#
+# Copyright (C) 2004-2014 Edward d'Auvergne
#
# Copyright (C) 2004-2013 Troels E. Linnet
#
#
#
# This file is part of the program relax (http://www.nmr-relax.com).
#
@@ -218,10 +218,10 @@
uf.title_short = "Peak intensity reading."
uf.add_keyarg(
name = "file",
- py_type = "str",
- arg_type = "file sel",
- desc_short = "file name",
- desc = "The name of the file containing the intensity data.",
+ py_type = "str_or_str_list",
+ arg_type = "file sel multi",
+ desc_short = "file name(s)",
+ desc = "The name of the file or the list of files containing the
intensity data.",
wiz_filesel_style = FD_OPEN
)
uf.add_keyarg(
@@ -236,7 +236,7 @@
name = "spectrum_id",
py_type = "str_or_str_list",
desc_short = "spectrum ID string",
- desc = "The unique spectrum ID string or list of strings to associate
with the peak intensity values. If 'auto' is provided for a NMRPipe
seriesTab formatted file, the IDs are auto generated in form of Z_A{i}."
+ desc = "The unique spectrum ID string or list of strings to associate
with the peak intensity values. If multiple files are given, then each file
should have a corresponding spectrum ID string. If 'auto' is provided for a
NMRPipe seriesTab formatted file, the IDs are auto generated in form of
Z_A{i}."
)
uf.add_keyarg(
name = "dim",
@@ -348,6 +348,8 @@
uf.desc[-1].add_paragraph("NMRView: The file should be a NMRView peak list.
The default is to use column 16 (which contains peak heights) for peak
intensities. To use use peak volumes (or evolumes), int_col must be set to
15.")
uf.desc[-1].add_paragraph("NMRPipe seriesTab: The file should be a
NMRPipe-format Spectral Series list. If the spectrum_id='auto', the IDs are
auto generated in form of Z_A{i}.")
uf.desc[-1].add_paragraph("Generic intensity file: This is a generic format
which can be created by scripting to support non-supported peak lists. It
should contain in the first few columns enough information to identify the
spin. This can include columns for the molecule name, residue number,
residue name, spin number, and spin name. Alternatively a spin ID string
column can be used. The peak intensities can be placed in another column
specified by the integration column number. Intensities from multiple
spectra can be placed into different columns, and these can then be specified
simultaneously by setting the integration column value to a list of columns.
This list must be matched by setting the spectrum ID to a list of the same
length. If columns are delimited by a character other than whitespace, this
can be specified with the column separator. The spin ID can be used to
restrict the loading to specific spin subsets.")
+uf.desc.append(Desc_container("Multiple files"))
+uf.desc[-1].add_paragraph("The data from multiple files can be loaded
simultaneously if a list of files is supplied. In this case, a list of
spectrum ID strings of equal length must be supplied.")
# Prompt examples.
uf.desc.append(Desc_container("Prompt examples"))
uf.desc[-1].add_paragraph("To read the reference and saturated spectra peak
heights from the Sparky formatted files 'ref.list' and 'sat.list', type:")
r22225 - /trunk/user_functions/spectrum.py