Author: bugman
Date: Tue Jun 17 18:22:38 2014
New Revision: 24049
URL: http://svn.gna.org/viewcvs/relax?rev=24049&view=rev
Log:
Modified the precision of the output from the relax_disp.sherekhan_input user
function.
This is simply to allow the Relax_disp.test_sod1wt_t25_to_sherekhan_input
system test to pass on
certain 32-bit systems, as the float output to 15 decimal places is not
always the same. This
system test has been updated for the change.
Modified:
trunk/specific_analyses/relax_disp/sherekhan.py
trunk/test_suite/system_tests/relax_disp.py
Modified: trunk/specific_analyses/relax_disp/sherekhan.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/sherekhan.py?rev=24049&r1=24048&r2=24049&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/sherekhan.py (original)
+++ trunk/specific_analyses/relax_disp/sherekhan.py Tue Jun 17 18:22:38
2014
@@ -130,7 +130,7 @@
continue
# Store the data.
- lines.append("%20.15g %20.15g %20.15g\n" % (point,
spins[i].r2eff[param_key], spins[i].r2eff_err[param_key]))
+ lines.append("%20.15g %20.13g %20.13g\n" % (point,
spins[i].r2eff[param_key], spins[i].r2eff_err[param_key]))
# No data.
if len(lines) == 1:
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=24049&r1=24048&r2=24049&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Tue Jun 17 18:22:38 2014
@@ -5119,37 +5119,37 @@
"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",
+ " 33.333 26.53556078711
0.5236104771163\n",
+ " 66.667 25.29735243318
0.48766574122\n",
+ " 100 25.09470361403
0.4820438864671\n",
+ " 133.333 25.15603274331
0.4837377286085\n",
+ " 166.667 24.27213341753
0.4599457904395\n",
+ " 200 24.00364120328
0.4529773198905\n",
+ " 266.667 24.03511395168
0.4537880662536\n",
+ " 300 23.04761040024
0.4291039120557\n",
+ " 333.333 22.95530300787
0.4268745963972\n",
+ " 400 23.06158810662
0.4294426293624\n",
+ " 466.667 22.26799054092
0.4106809618644\n",
+ " 533.333 21.99851418823
0.4045232104735\n",
+ " 666.667 21.19651570955
0.3868136173831\n",
+ " 833.333 20.30938498379
0.3682604887899\n",
+ " 1000 20.28273252609
0.367719392568\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",
+ " 33.333 24.76520269878
0.5026475808706\n",
+ " 66.667 24.8773107448
0.5058752916906\n",
+ " 100 24.90357815239
0.5066348551479\n",
+ " 133.333 23.7782506151
0.4751950583865\n",
+ " 166.667 23.68548762076
0.4727017128631\n",
+ " 200 23.58629651618
0.4700517377679\n",
+ " 266.667 23.47734671187
0.4671601744044\n",
+ " 300 24.08647493772
0.4835855560598\n",
+ " 333.333 22.98314371029
0.4542918950801\n",
+ " 400 22.80339361568
0.4497107885587\n",
+ " 466.667 22.91634335366
0.4525833037874\n",
+ " 533.333 22.59774140046
0.4445334311324\n",
+ " 666.667 20.9177750759
0.4046955726046\n",
+ " 833.333 20.71792550566
0.4002363835007\n",
+ " 1000 19.54080006349
0.3751112751853\n",
]
# Check data_set_600
@@ -5167,41 +5167,41 @@
"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",
+ " 50 22.28084307393
0.2944966344183\n",
+ " 100 21.93494977761
0.2910362768307\n",
+ " 150 21.09850032232
0.282892238351\n",
+ " 200 20.86493960397
0.2806737853646\n",
+ " 250 20.75287269752
0.2796178205016\n",
+ " 300 20.25597152406
0.2750013546989\n",
+ " 350 19.92172163467
0.2719555756504\n",
+ " 400 19.97712052922
0.272457105051\n",
+ " 450 19.46807010415
0.2678972122793\n",
+ " 500 19.76875460947
0.2705774849203\n",
+ " 550 19.39161367402
0.2672216964327\n",
+ " 600 19.03949517697
0.2641417899694\n",
+ " 650 19.12218812132
0.2648605059901\n",
+ " 700 19.01037461457
0.2638893584683\n",
+ " 800 18.83395162904
0.2623674321143\n",
+ " 900 18.47529972436
0.2593123604687\n",
+ " 1000 18.5252023121
0.2597343394038\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",
+ " 50 22.15403890237
0.3285588379827\n",
+ " 100 21.80946781746
0.3247185598713\n",
+ " 150 21.77715415505
0.324361526682\n",
+ " 200 21.41647464235
0.3204122024881\n",
+ " 250 21.17099940822
0.3177616325958\n",
+ " 300 21.03740030577
0.3163316496664\n",
+ " 350 20.95393648281
0.3154427665172\n",
+ " 400 20.93311399332
0.315221543436\n",
+ " 450 20.18219905222
0.3073848655291\n",
+ " 500 19.93599065085
0.3048744697057\n",
+ " 550 19.68475725452
0.3023424499113\n",
+ " 600 19.33575433934
0.2988741928798\n",
+ " 650 19.53915692194
0.3008886196853\n",
+ " 700 19.2018754351
0.2975587767134\n",
+ " 800 18.82360965368
0.2938866923878\n",
+ " 900 18.71861761238
0.2928790380131\n",
+ " 1000 17.95878049287
0.2857341721151\n",
]
# Check data_set_500
r24049 - in /trunk: specific_analyses/relax_disp/sherekhan.py test_suite/system_tests/relax_disp.py