Author: tlinnet
Date: Wed Apr 30 13:23:20 2014
New Revision: 22890
URL: http://svn.gna.org/viewcvs/relax?rev=22890&view=rev
Log:
Made testing of files for systemtest -s
Relax_disp.test_sod1wt_t25_to_sherekhan_input.
bug #21995: (https://gna.org/bugs/index.php?21995) Creating sherekhan input
files, with data for several fields and different time_T2
WARNING: The sherekhan user function will write to current directory!.
Modified:
trunk/test_suite/system_tests/relax_disp.py
Modified: trunk/test_suite/system_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=22890&r1=22889&r2=22890&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Wed Apr 30 13:23:20 2014
@@ -22,7 +22,7 @@
###############################################################################
# Python module imports.
-from os import F_OK, access, sep
+from os import F_OK, access, getcwd, path, sep
from numpy import median
import re, math
from tempfile import mkdtemp
@@ -3808,7 +3808,117 @@
r20_key_600 = generate_r20_key(exp_type=EXP_TYPE_CPMG_SQ,
frq=599.8908617*1E6)
r20_key_500 = generate_r20_key(exp_type=EXP_TYPE_CPMG_SQ,
frq=499.862139*1E6)
+ # Cluster everything, to analyse together.
+ self.interpreter.relax_disp.cluster(cluster_id='all',
spin_id=":1-1000")
+
+ # Write input
self.interpreter.relax_disp.sherekhan_input(force=True, spin_id=None)
+
+ # Check the r2eff set files.
+ print("\nChecking the R2eff input set files.")
+ files = [[path.join(getcwd(), 'cluster1'), 'sherekhan_frq1.in'],
[path.join(getcwd(), 'cluster1'), 'sherekhan_frq2.in']]
+
+ # First check file exists
+ for dir, file in files:
+ self.assert_(access(dir+sep+file, F_OK))
+
+ # Define how files should look like
+ data_set_600 = [
+ "60.8272464287\n",
+ "0.06\n",
+ "# nu_cpmg (Hz) R2eff (rad/s) Error
\n",
+ "# G10\n",
+ " 33.333 26.5355607871143
0.523610477116325\n",
+ " 66.667 25.2973524331805
0.487665741220049\n",
+ " 100 25.0947036140261
0.482043886467136\n",
+ " 133.333 25.1560327433112
0.483737728608539\n",
+ " 166.667 24.2721334175261
0.459945790439514\n",
+ " 200 24.0036412032756
0.452977319890459\n",
+ " 266.667 24.035113951682
0.453788066253567\n",
+ " 300 23.0476104002386
0.429103912055714\n",
+ " 333.333 22.9553030078664
0.426874596397214\n",
+ " 400 23.0615881066175
0.429442629362408\n",
+ " 466.667 22.2679905409231
0.410680961864409\n",
+ " 533.333 21.9985141882301
0.404523210473472\n",
+ " 666.667 21.1965157095504
0.386813617383113\n",
+ " 833.333 20.3093849837925
0.368260488789867\n",
+ " 1000 20.2827325260871
0.367719392568019\n",
+ "# D11\n",
+ " 33.333 24.7652026987816
0.502647580870618\n",
+ " 66.667 24.8773107447975
0.505875291690583\n",
+ " 100 24.9035781523886
0.506634855147857\n",
+ " 133.333 23.7782506151049
0.475195058386477\n",
+ " 166.667 23.68548762076
0.472701712863089\n",
+ " 200 23.5862965161838
0.47005173776785\n",
+ " 266.667 23.4773467118709
0.467160174404351\n",
+ " 300 24.0864749377186
0.483585556059788\n",
+ " 333.333 22.9831437102859
0.454291895080121\n",
+ " 400 22.8033936156766
0.449710788558694\n",
+ " 466.667 22.9163433536603
0.452583303787421\n",
+ " 533.333 22.5977414004565
0.444533431132359\n",
+ " 666.667 20.9177750759047
0.404695572604609\n",
+ " 833.333 20.7179255056613
0.400236383500742\n",
+ " 1000 19.5408000634922
0.37511127518532\n",
+ ]
+
+ # Check data_set_600
+ file = open(files[0][0]+sep+files[0][1])
+ lines = file.readlines()
+ file.close()
+ for i in range(len(data_set_600)):
+ # Make the string test
+ self.assertEqual(data_set_600[i], lines[i])
+
+ # Define how files should look like
+ data_set_500 = [
+ "50.6846152368\n",
+ "0.04\n",
+ "# nu_cpmg (Hz) R2eff (rad/s) Error
\n",
+ "# G10\n",
+ " 50 22.2808430739251
0.294496634418347\n",
+ " 100 21.9349497776088
0.291036276830675\n",
+ " 150 21.09850032232
0.282892238351025\n",
+ " 200 20.8649396039739
0.280673785364574\n",
+ " 250 20.7528726975239
0.27961782050157\n",
+ " 300 20.2559715240636
0.275001354698909\n",
+ " 350 19.9217216346714
0.271955575650407\n",
+ " 400 19.9771205292184
0.272457105050968\n",
+ " 450 19.468070104149
0.267897212279303\n",
+ " 500 19.768754609467
0.270577484920253\n",
+ " 550 19.391613674016
0.267221696432671\n",
+ " 600 19.0394951769725
0.264141789969355\n",
+ " 650 19.1221881213238
0.264860505990111\n",
+ " 700 19.0103746145652
0.263889358468269\n",
+ " 800 18.8339516290404
0.262367432114342\n",
+ " 900 18.4752997243566
0.25931236046873\n",
+ " 1000 18.5252023120967
0.259734339403753\n",
+ "# D11\n",
+ " 50 22.1540389023659
0.328558837982667\n",
+ " 100 21.8094678174581
0.324718559871305\n",
+ " 150 21.7771541550532
0.324361526681963\n",
+ " 200 21.416474642345
0.320412202488137\n",
+ " 250 21.1709994082239
0.317761632595752\n",
+ " 300 21.0374003057687
0.316331649666449\n",
+ " 350 20.9539364828097
0.315442766517216\n",
+ " 400 20.9331139933186
0.315221543435985\n",
+ " 450 20.1821990522161
0.307384865529062\n",
+ " 500 19.9359906508457
0.304874469705735\n",
+ " 550 19.6847572545207
0.302342449911335\n",
+ " 600 19.3357543393369
0.29887419287975\n",
+ " 650 19.5391569219385
0.300888619685272\n",
+ " 700 19.2018754350981
0.297558776713363\n",
+ " 800 18.823609653682
0.293886692387814\n",
+ " 900 18.7186176123768
0.292879038013058\n",
+ " 1000 17.9587804928716
0.285734172115143\n",
+ ]
+
+ # Check data_set_500
+ file = open(files[1][0]+sep+files[1][1])
+ lines = file.readlines()
+ file.close()
+ for i in range(len(data_set_500)):
+ # Make the string test
+ self.assertEqual(data_set_500[i], lines[i])
def test_sprangers_data_to_mmq_cr72(self, model=None):
r22890 - /trunk/test_suite/system_tests/relax_disp.py