Author: semor
Date: Tue Jan 6 21:22:47 2009
New Revision: 8231
URL: http://svn.gna.org/viewcvs/relax?rev=8231&view=rev
Log:
Copied 'prompt/relax_fit.py' to 'prompt/relax_disp.py' and commented lines
which will need to be
tailored after the system tests code is completed.
Moreover, the directory for system tests data
('test_suite/shared_data/relax_disp') is now added,
although the 'svn add' command had been used before the last commit (r8229).
Weird behavior, but,
anyway, the directory is present now...
Added:
branches/relax_disp/prompt/relax_disp.py
branches/relax_disp/test_suite/shared_data/relax_disp/
Added: branches/relax_disp/prompt/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/prompt/relax_disp.py?rev=8231&view=auto
==============================================================================
--- branches/relax_disp/prompt/relax_disp.py (added)
+++ branches/relax_disp/prompt/relax_disp.py Tue Jan 6 21:22:47 2009
@@ -1,0 +1,122 @@
+###############################################################################
+#
#
+# Copyright (C) 2004-2008 Edward d'Auvergne
#
+# Copyright (C) 2009 Sebastien Morin
+#
#
+# 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.
+"""Module containing the 'relax_disp' user function class."""
+__docformat__ = 'plaintext'
+
+# Python module imports.
+import sys
+
+# relax module imports.
+import help
+from relax_errors import RelaxNumError, RelaxStrError
+from specific_fns.setup import relax_disp_obj
+
+
+class Relax_disp:
+ def __init__(self, relax):
+ # Help.
+ self.__relax_help__ = \
+ """Class for relaxation dispersion curve fitting."""
+
+ # Add the generic help string.
+ self.__relax_help__ = self.__relax_help__ + "\n" +
help.relax_class_help
+
+ # Place relax in the class namespace.
+ self.__relax__ = relax
+
+
+# def relax_time(self, time=0.0, spectrum_id=None):
+# """Function for setting the relaxation time period associated with
each spectrum.
+#
+# Keyword Arguments
+# ~~~~~~~~~~~~~~~~~
+#
+# time: The time, in seconds, of the relaxation period.
+#
+# spectrum_id: The spectrum identification string.
+#
+#
+# Description
+# ~~~~~~~~~~~
+#
+# Peak intensities should be loaded before calling this user function
via the
+# 'spectrum.read_intensities()' user function. The intensity values
will then be associated
+# with a spectrum identifier. To associate each spectrum identifier
with a time point in the
+# relaxation curve prior to optimisation, this user function should
be called.
+# """
+#
+# # Function intro text.
+# if self.__relax__.interpreter.intro:
+# text = sys.ps3 + "relax_disp.relax_time("
+# text = text + "time=" + `time`
+# text = text + ", spectrum_id=" + `spectrum_id` + ")"
+# print text
+#
+# # The relaxation time.
+# if type(time) != int and type(time) != float:
+# raise RelaxNumError, ('relaxation time', time)
+#
+# # The spectrum identification string.
+# if type(spectrum_id) != str:
+# raise RelaxStrError, ('spectrum identification string',
spectrum_id)
+#
+# # Execute the functional code.
+# relax_disp_obj.relax_time(time=time, spectrum_id=spectrum_id)
+#
+#
+# def select_model(self, model='exp'):
+# """Function for the selection of the relaxation curve type.
+#
+# Keyword Arguments
+# ~~~~~~~~~~~~~~~~~
+#
+# model: The type of relaxation dispersion curve to fit.
+#
+#
+# The preset models
+# ~~~~~~~~~~~~~~~~~
+#
+# The supported relaxation experiments include the default two
parameter exponential fit,
+# selected by setting the 'fit_type' argument to 'exp', and the three
parameter inversion
+# recovery experiment in which the peak intensity limit is a non-zero
value, selected by
+# setting the argument to 'inv'.
+#
+# The parameters of these two models are
+# 'exp': [Rx, I0],
+# 'inv': [Rx, I0, Iinf].
+# """
+#
+# # Function intro text.
+# if self.__relax__.interpreter.intro:
+# text = sys.ps3 + "relax_disp.select_model("
+# text = text + "model=" + `model` + ")"
+# print text
+#
+# # The model argument.
+# if type(model) != str:
+# raise RelaxStrError, ('model', model)
+#
+# # Execute the functional code.
+# relax_disp_obj.select_model(model=model)
r8231 - in /branches/relax_disp: prompt/relax_disp.py test_suite/shared_data/relax_disp/