Author: tlinnet
Date: Fri Aug 22 00:37:49 2014
New Revision: 25191
URL: http://svn.gna.org/viewcvs/relax?rev=25191&view=rev
Log:
Added start script with basic data for profiling the relax curve fit.
Added:
trunk/test_suite/shared_data/curve_fitting/profiling/
trunk/test_suite/shared_data/curve_fitting/profiling/errors_arr.npy
trunk/test_suite/shared_data/curve_fitting/profiling/profiling_relax_fit.py
(with props)
trunk/test_suite/shared_data/curve_fitting/profiling/struct_arr.npy
trunk/test_suite/shared_data/curve_fitting/profiling/times_arr.npy
trunk/test_suite/shared_data/curve_fitting/profiling/values_arr.npy
Added: trunk/test_suite/shared_data/curve_fitting/profiling/errors_arr.npy
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/profiling/errors_arr.npy?rev=25191&view=auto
==============================================================================
--- trunk/test_suite/shared_data/curve_fitting/profiling/errors_arr.npy (added)
+++ trunk/test_suite/shared_data/curve_fitting/profiling/errors_arr.npy Fri Aug
22 00:37:49 2014
@@ -0,0 +1,6 @@
+NUMPY V {'descr': '<f8', 'fortran_order': False, 'shape': (1, 1, 1, 6, 6,
5), }
+\Âõ(N@Ház®è@lçû©â@'1¬ x
@ F¶óýÔ@-²ï¨@Zd;ßO&@Cl@Ãõ(\ö
@oÀÊÆ@Âõ(\Í@!°rhð@ï§ÆK@fffffU
@V-~@¶óýÔx@ÁÊ¡E¶*@X9´Èv@ªñÒMb×
@Clõ@A`åÐâ
@\Âõ(@@!°rh|@w¾/Ã@¶óýÔxÏ@-²ï§Ê@®Gáz¦@
ëQ¸ Õ@V-²@J +»@¤p=
+×T@¬ Zd;0
@ Zd;ß
@d;ßO@ ®GázÇ@5^ºI
@Ãõ(\@@R¸
ëÜ@Õxé&1Å@d;ßOÈ
@²ï§ÆX@yé&1_
@ï§ÆK
@Pn«@\Âõ(/@Ãõ(\t@ClçÇ@áz®G
@ ¦Ä
°Ñ@NbX9.@¼tV@çû©ñÒì@Õxé&18@®Gáz@¾/ݱ@ÙÎ÷S¸@1¬ Z@bX9´
@ =
+×£pS@×£p=
+F@¾/Ý
@}?5^ºÔ@)\Âõ5
@ oÀÊ$@´Èv¾Ö@
+×£p= @Õxé&1i@ªñÒMbQ@
Added:
trunk/test_suite/shared_data/curve_fitting/profiling/profiling_relax_fit.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/profiling/profiling_relax_fit.py?rev=25191&view=auto
==============================================================================
--- trunk/test_suite/shared_data/curve_fitting/profiling/profiling_relax_fit.py
(added)
+++ trunk/test_suite/shared_data/curve_fitting/profiling/profiling_relax_fit.py
Fri Aug 22 00:37:49 2014
@@ -0,0 +1,98 @@
+#!/usr/bin/env python
+
+###############################################################################
+# #
+# Copyright (C) 2014 Troels E. Linnet #
+# #
+# 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/>. #
+# #
+###############################################################################
+
+# Python module imports.
+import cProfile
+from os import getcwd, path, sep
+from numpy import array, arange, int32, float64, pi, load
+import pstats
+import sys
+import tempfile
+
+# Python 3 support.
+try:
+ import __builtin__
+ del __builtin__
+except ImportError:
+ import builtins
+ builtins.xrange = builtins.range
+
+# Add to system path, according to
+if len(sys.argv) == 1:
+ path_to_base = path.join(getcwd(), '..', '..', '..', '..')
+else:
+ path_to_base = path.abspath(sys.argv[1])
+
+# Reverse sys path.
+sys.path.reverse()
+# Add to path.
+sys.path.append(path_to_base)
+# Reverse sys path.
+sys.path.reverse()
+
+# relax module imports.
+from status import Status; status = Status()
+
+
+# Alter setup.
+def main():
+ param_key_list = [
+ 'r1rho_799.77739910_118.078_431.000',
+ 'r1rho_799.77739910_118.078_651.200',
+ 'r1rho_799.77739910_118.078_800.500',
+ 'r1rho_799.77739910_118.078_984.000',
+ 'r1rho_799.77739910_118.078_1341.110',
+ 'r1rho_799.77739910_118.078_1648.500',
+ 'r1rho_799.77739910_124.247_1341.110',
+ 'r1rho_799.77739910_130.416_800.500',
+ 'r1rho_799.77739910_130.416_1341.110',
+ 'r1rho_799.77739910_130.416_1648.500',
+ 'r1rho_799.77739910_142.754_800.500',
+ 'r1rho_799.77739910_142.754_1341.110',
+ 'r1rho_799.77739910_179.768_1341.110',
+ 'r1rho_799.77739910_241.459_1341.110'
+ ]
+
+ # Define maximum dimensions.
+ NE, NS, NM, NO, ND, NT = 1, 1, 1, 6, 6, 5
+
+ # Define path to data
+ data_path = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'curve_fitting'+sep+'profiling'+sep
+
+ values_arr = load(data_path + "values_arr.npy")
+ errors_arr = load(data_path + "errors_arr.npy")
+ times_arr = load(data_path + "times_arr.npy")
+ struct_arr = load(data_path + "struct_arr.npy")
+
+ # Print arrays.
+ for ei in range(NE):
+ for si in range(NS):
+ for mi in range(NM):
+ for oi in range(NO):
+ for di in range(ND):
+ print(ei, si, mi, oi, di, values_arr[ei, si, mi, oi,
di], struct_arr[ei, si, mi, oi, di])
+
+
+# Execute main function.
+if __name__ == "__main__":
+ main()
Propchange:
trunk/test_suite/shared_data/curve_fitting/profiling/profiling_relax_fit.py
------------------------------------------------------------------------------
svn:executable = *
Added: trunk/test_suite/shared_data/curve_fitting/profiling/struct_arr.npy
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/profiling/struct_arr.npy?rev=25191&view=auto
==============================================================================
--- trunk/test_suite/shared_data/curve_fitting/profiling/struct_arr.npy (added)
+++ trunk/test_suite/shared_data/curve_fitting/profiling/struct_arr.npy Fri Aug
22 00:37:49 2014
@@ -0,0 +1,2 @@
+NUMPY V {'descr': '<f8', 'fortran_order': False, 'shape': (1, 1, 1, 6, 6,
5), }
+ ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð? ð?
Added: trunk/test_suite/shared_data/curve_fitting/profiling/times_arr.npy
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/profiling/times_arr.npy?rev=25191&view=auto
==============================================================================
--- trunk/test_suite/shared_data/curve_fitting/profiling/times_arr.npy (added)
+++ trunk/test_suite/shared_data/curve_fitting/profiling/times_arr.npy Fri Aug
22 00:37:49 2014
@@ -0,0 +1,2 @@
+NUMPY V {'descr': '<f8', 'fortran_order': False, 'shape': (1, 1, 1, 6, 6,
5), }
+ {®Gáz¤?¹?É? {®Gáz¤?¹?É?Ù? {®Gáz¤?¹?É?Ù? {®Gáz¤?¹?É?Ù? {®Gáz¤?¹?É?Ù? {®Gáz¤?¹?ìQ¸
ëÁ?É? {®Gáz¤?¹?É?Ù? {®Gáz¤?¹?É?Ù? {®Gáz¤?¹?É?Ù? {®Gáz¤?¹?ìQ¸
ëÁ?É? {®Gáz¤?¹?É?Ù? {®Gáz¤?¹?É?Ù? {®Gáz¤?¹?É?Ù? {®Gáz¤?¹?É?Ù?
Added: trunk/test_suite/shared_data/curve_fitting/profiling/values_arr.npy
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/profiling/values_arr.npy?rev=25191&view=auto
==============================================================================
--- trunk/test_suite/shared_data/curve_fitting/profiling/values_arr.npy (added)
+++ trunk/test_suite/shared_data/curve_fitting/profiling/values_arr.npy Fri Aug
22 00:37:49 2014
@@ -0,0 +1,10 @@
+NUMPY V {'descr': '<f8', 'fortran_order': False, 'shape': (1, 1, 1, 6, 6,
5), }
+ÍÌÌÌxÂA¡A¸
ëíô@â@ ÍÌÌÌ$a AÍÌÌÌ,> A
+×£pÝò@
ëQ¸.&Ú@¨ÆK7ɱ@1ÈA H9 Aö(\:ðð@×£p=
+~Ù@¸
ëQ ²@¹ A ðÿ@3333sð@ffffÿØ@ +¿±@÷
+A3333 A)\Â
kò@×£p=úrÛ@Dlçx³@eT
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+A3333© A®GázTñ@ÍÌÌÌý×@X9´Èö$«@ å
+A3333»A\Âõ4s÷@ffff^å@R¸
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+A ÅA
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+צá@%#/¼@}Ü A3333´AR¸
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+AÍÌÌÌÜåAÍÌÌÌ,þAYcû@
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AÍÌÌÌTDA HgAÍÌÌÌÔû@
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