mailr25191 - /trunk/test_suite/shared_data/curve_fitting/profiling/


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Posted by tlinnet on August 22, 2014 - 00:37:
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 @@
+“NUMPYV{'descr': '<f8', 'fortran_order': False, 'shape': (1, 1, 1, 6, 6, 
5), }              
+\Âõ(N‡@Ház®è“@‹lçû©â†@'1¬x…
@F¶óýÔ‹@-²ï¨‡@Zd;ßO&‡@•C‹l’ƒ@Ãõ(\ö…
@oƒÀÊƉ@Âõ(\͈@!°rh‘ð‡@žï§ÆK­„@fffffU…
@V-~Œ@¶óýÔxž‡@ÁÊ¡E¶*‡@X9´Èv‡@ªñÒMbׅ@•C‹lõŒ@‰A`åÐâ…
@\Âõ(@‡@!°rh‘|ˆ@w¾Ÿ/Ä@¶óýÔxϊ@-²ï§Ê†@®Gáz¦†@…ëQ¸Ն@V-²Š@J+‡»Š@¤p=
+×Tˆ@¬Zd;0…@Zd;ߖ…
@d;ßO†@®GázNj@5^ºI
      ‡@Ãõ(\Ž@š™™™™žˆ@R¸…ë܆@Õxé&1Ň@d;ßOÈ…@²ï§ÆX†@yé&1_…@žï§ÆK…
@P—n«‹@\Âõ(/@Ãõ(\tˆ@–C‹lçlj@áz®G
“@¦›Ä
 °Ñ‰@NbX9.ˆ@¼t“V‡@çû©ñÒì†@Õxé&18†@®Gáz‰@¾Ÿ/ݱˆ@ÙÎ÷S¸†@1¬Z‡†@bX9´–…
@=
+×£pS‰@×£p=
+F‡@¾Ÿ/ݑ…@}?5^ºÔ‡@)\Âõ5…
@oƒÀÊ$Š@´Èv¾ŸÖ‡@
+×£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 @@
+“NUMPYV{'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 @@
+“NUMPYV{'descr': '<f8', 'fortran_order': False, 'shape': (1, 1, 1, 6, 6, 
5), }              
+{®Gáz¤?š™™™™™¹?š™™™™™É?{®Gáz¤?š™™™™™¹?š™™™™™É?š™™™™™Ù?{®Gáz¤?š™™™™™¹?š™™™™™É?š™™™™™Ù?{®Gáz¤?š™™™™™¹?š™™™™™É?š™™™™™Ù?{®Gáz¤?š™™™™™¹?š™™™™™É?š™™™™™Ù?{®Gáz¤?š™™™™™¹?ìQ¸
…
ëÁ?š™™™™™É?{®Gáz¤?š™™™™™¹?š™™™™™É?š™™™™™Ù?{®Gáz¤?š™™™™™¹?š™™™™™É?š™™™™™Ù?{®Gáz¤?š™™™™™¹?š™™™™™É?š™™™™™Ù?{®Gáz¤?š™™™™™¹?ìQ¸
…
ëÁ?š™™™™™É?{®Gáz¤?š™™™™™¹?š™™™™™É?š™™™™™Ù?{®Gáz¤?š™™™™™¹?š™™™™™É?š™™™™™Ù?{®Gáz¤?š™™™™™¹?š™™™™™É?š™™™™™Ù?{®Gáz¤?š™™™™™¹?š™™™™™É?š™™™™™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 @@
+“NUMPYV{'descr': '<f8', 'fortran_order': False, 'shape': (1, 1, 1, 6, 6, 
5), }              
+ÍÌÌÌxÂAš™™™¡ˆA¸…ëíšô@š™™™â@ÍÌÌÌ$a AÍÌÌÌ,>A
+×£pÝò@…ëQ¸.&Ú@¨ÆK7ɜ±@š™™™1ÈAH9Aö(\:ðð@×£p=
+~Ù@¸…ëQ²@š™™™¹      Aðÿ@3333s–ð@ffff†ÿØ@+‡–¿±@š™™™™÷
+A3333A)\Â…kò@×£p=úrÛ@D‹lç›x³@š™™™eT        
Aš™™™ñaAö(\ö§ñ@ÍÌÌÌôuç@áz®÷ŸÙ@ffff”
+A3333©A®GázT€ñ@ÍÌÌ̜ý×@X9´Èö$«@š™™™å
+A3333›»A\Âõ4s÷@ffff^†å@R¸…Ë>Æ@3333Ÿí
+A ÅA…ëQ¸Ö\õ@q=
+צá@%•#/¼@š™™™}Ü    A3333‡´AR¸…
çÝó@×£p=Úþê@áz®'úÞ@ffffº7
+AÍÌÌÌÜåAÍÌÌÌ,þAš™™™Ycû@…ëQ ™ì@ÍÌÌ̘æAÍÌÌ̤6A3333+‹AR¸…Ï6ô@…
ëQˆ´Ý@ÍÌÌ̐üAš™™™ý]
        
A(qAðAáz®ëíö@ÍÌÌÌðvAffffî7
 
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