Author: bugman
Date: Sat Jun 8 23:52:59 2013
New Revision: 19978
URL: http://svn.gna.org/viewcvs/relax?rev=19978&view=rev
Log:
Renamed the lib.dispersion.equations module to lib.dispersion.two_point.
Added:
branches/relax_disp/lib/dispersion/two_point.py
- copied unchanged from r19967,
branches/relax_disp/lib/dispersion/equations.py
Removed:
branches/relax_disp/lib/dispersion/equations.py
Modified:
branches/relax_disp/lib/dispersion/__init__.py
branches/relax_disp/specific_analyses/relax_disp/__init__.py
Modified: branches/relax_disp/lib/dispersion/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/__init__.py?rev=19978&r1=19977&r2=19978&view=diff
==============================================================================
--- branches/relax_disp/lib/dispersion/__init__.py (original)
+++ branches/relax_disp/lib/dispersion/__init__.py Sat Jun 8 23:52:59 2013
@@ -24,8 +24,8 @@
__all__ = [
'cr72',
- 'equations',
'lm63',
'm61',
- 'm61b'
+ 'm61b',
+ 'two_point'
]
Removed: branches/relax_disp/lib/dispersion/equations.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/equations.py?rev=19977&view=auto
==============================================================================
--- branches/relax_disp/lib/dispersion/equations.py (original)
+++ branches/relax_disp/lib/dispersion/equations.py (removed)
@@ -1,79 +1,0 @@
-###############################################################################
-#
#
-# Copyright (C) 2009 Sebastien Morin
#
-# Copyright (C) 2013 Edward d'Auvergne
#
-#
#
-# This file is part of the program relax (http://www.nmr-relax.com).
#
-#
#
-# This program 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 3 of the License, or
#
-# (at your option) any later version.
#
-#
#
-# This program 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 this program. If not, see <http://www.gnu.org/licenses/>.
#
-#
#
-###############################################################################
-
-# Module docstring.
-"""The relaxation dispersion equations."""
-
-# Python module imports.
-from math import log, sqrt
-
-
-def calc_two_point_r2eff(relax_time=None, I_ref=None, I=None):
- """Calculate the R2eff/R1rho value for the fixed relaxation time data.
-
- The formula is::
-
- -1 / I1 \
- R2eff = ------- * ln | -- | ,
- relax_T \ I0 /
-
- where relax_T is the fixed delay time, I0 is the reference peak
intensity when relax_T is zero, and I1 is the peak intensity in a spectrum of
interest.
-
-
- @keyword relax_time: The fixed relaxation delay time in seconds.
- @type relax_time: float
- @keyword I_ref: The peak intensity in the reference spectrum.
- @type I_ref: float
- @keyword I: The peak intensity of interest.
- @type I: float
- """
-
- # Calculate and return the value (avoiding integer division problems).
- return -1.0 / relax_time * log(float(I) / I_ref)
-
-
-def calc_two_point_r2eff_err(relax_time=None, I_ref=None, I=None,
I_ref_err=None, I_err=None):
- """Calculate the R2eff/R1rho error for the fixed relaxation time data.
-
- The formula is::
-
- / (sigma_I1 / I1(nu1))^2 + (sigma_I0 / I0)^2 \
- sigma_R2 = sqrt | ------------------------------------------ | ,
- \ relax_T /
-
- where relax_T is the fixed delay time, I0 and sigma_I0 are the reference
peak intensity and error when relax_T is zero, and I1 and sigma_I1 are the
peak intensity and error in the spectrum of interest.
-
-
- @keyword relax_time: The fixed relaxation delay time in seconds.
- @type relax_time: float
- @keyword I_ref: The peak intensity in the reference spectrum.
- @type I_ref: float
- @keyword I: The peak intensity of interest.
- @type I: float
- @keyword I_ref_err: The peak intensity error in the reference
spectrum.
- @type I_ref_err: float
- @keyword I_err: The peak intensity error of interest.
- @type I_err: float
- """
-
- # Calculate and return the value (avoiding integer division problems).
- return sqrt((I_ref_err / I_ref)**2 + (I_err / I)**2) / relax_time
Modified: branches/relax_disp/specific_analyses/relax_disp/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/__init__.py?rev=19978&r1=19977&r2=19978&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/__init__.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/__init__.py Sat Jun 8
23:52:59 2013
@@ -44,7 +44,7 @@
# relax module imports.
from dep_check import C_module_exp_fn
-from lib.dispersion.equations import calc_two_point_r2eff,
calc_two_point_r2eff_err
+from lib.dispersion.two_point import calc_two_point_r2eff,
calc_two_point_r2eff_err
from lib.errors import RelaxError, RelaxFuncSetupError, RelaxLenError,
RelaxNoModelError, RelaxNoSequenceError, RelaxNoSpectraError
from lib.io import get_file_path, open_write_file
from lib.list import count_unique_elements, unique_elements
r19978 - in /branches/relax_disp: lib/dispersion/ specific_analyses/relax_disp/