Author: bugman
Date: Thu Feb 24 12:50:46 2011
New Revision: 12622
URL: http://svn.gna.org/viewcvs/relax?rev=12622&view=rev
Log:
Fix for the PDC reading system tests, the data now matches the new PDC files.
Modified:
1.3/test_suite/system_tests/pdc.py
Modified: 1.3/test_suite/system_tests/pdc.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/pdc.py?rev=12622&r1=12621&r2=12622&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/pdc.py (original)
+++ 1.3/test_suite/system_tests/pdc.py Thu Feb 24 12:50:46 2011
@@ -65,9 +65,9 @@
self.assertEqual(cdp.num_ri, 1)
# The NOE values and errors.
- noe = [0.69399999999999995, 0.70599999999999996, 0.755,
0.73599999999999999, 0.72599999999999998, 0.73899999999999999,
0.68999999999999995, 0.60699999999999998, 0.58199999999999996,
0.54800000000000004, 0.66000000000000003, 0.746, 0.75900000000000001,
0.77600000000000002, 0.76300000000000001, 0.71599999999999997,
0.69499999999999995, 0.71999999999999997, 0.75600000000000001,
0.70399999999999996, 0.69499999999999995, 0.73699999999999999,
0.66700000000000004, 0.76000000000000001, 0.752, 0.746, 0.73399999999999999,
0.73999999999999999, 0.73599999999999999, 0.76600000000000001,
0.73099999999999998, 0.77800000000000002, 0.79100000000000004,
0.76900000000000002, 0.75800000000000001, 0.76900000000000002, 0.755,
0.76100000000000001, 0.75, 0.77700000000000002, 0.749, 0.752,
0.70899999999999996, 0.61899999999999999, 0.72699999999999998,
0.72399999999999998, 0.77900000000000003, 0.78100000000000003,
0.76200000000000001, 0.76900000000000002, 0.78700000000000003,
0.73499999999999999, 0.74199999999999999, 0.76800000000000002,
0.73699999999999999, 0.60499999999999998, 0.79600000000000004,
0.71699999999999997, 0.72199999999999998, 0.69499999999999995,
0.75800000000000001, 0.72899999999999998, 0.66600000000000004,
0.73399999999999999, 0.72699999999999998, 0.62, 0.34000000000000002,
0.16500000000000001, -0.432, -1.3]
+ noe = [0.70140000000000002, 0.72260000000000002,
0.78410000000000002, 0.71389999999999998, 0.72219999999999995,
0.73450000000000004, 0.65800000000000003, 0.61319999999999997,
0.64359999999999995, 0.55810000000000004, 0.64349999999999996,
0.72719999999999996, 0.76690000000000003, 0.78159999999999996,
0.78320000000000001, 0.71179999999999999, 0.73529999999999995, 0.7339,
0.76639999999999997, 0.79600000000000004, 0.76980000000000004,
0.76090000000000002, 0.77000000000000002, 0.76839999999999997, 0.746,
0.75119999999999998, 0.7258, 0.76139999999999997, 0.75970000000000004,
0.76270000000000004, 0.71899999999999997, 0.7752, 0.78710000000000002,
0.75270000000000004, 0.75860000000000005, 0.73709999999999998,
0.76649999999999996, 0.78059999999999996, 0.77710000000000001,
0.74419999999999997, 0.71909999999999996, 0.73429999999999995,
0.69320000000000004, 0.60419999999999996, 0.71460000000000001,
0.73599999999999999, 0.78359999999999996, 0.79749999999999999,
0.75949999999999995, 0.76659999999999995, 0.77559999999999996,
0.73729999999999996, 0.73080000000000001, 0.78420000000000001,
0.70409999999999995, 0.6069, 0.79710000000000003, 0.74829999999999997,
0.72860000000000003, 0.73939999999999995, 0.751, 0.73150000000000004, 0.7238,
0.72529999999999994, 0.7218, 0.62980000000000003, 0.3004,
0.15970000000000001, -0.41570000000000001, -1.3540000000000001]
- noe_err = [0.00027, 0.00029999999999999997, 0.00032000000000000003,
0.00029, 0.00029, 0.00027, 0.00032000000000000003, 0.00031,
0.00019000000000000001, 0.00022000000000000001, 0.00022000000000000001,
0.00033, 0.00025000000000000001, 0.00031, 0.00019000000000000001,
0.00027999999999999998, 0.00025000000000000001, 0.00025999999999999998,
0.00020000000000000001, 0.00029, 0.00038999999999999999, 0.00035,
0.00016000000000000001, 0.00036000000000000002, 0.00034000000000000002,
0.00040000000000000002, 0.00029999999999999997, 0.00022000000000000001,
0.00027999999999999998, 0.00031, 0.00025999999999999998,
0.00025000000000000001, 0.00025999999999999998, 0.00027, 0.00029, 0.00033,
0.00034000000000000002, 0.00036999999999999999, 0.00038000000000000002,
0.00038999999999999999, 0.00055000000000000003, 0.00029,
0.00029999999999999997, 0.00025000000000000001, 0.00040999999999999999,
0.00038000000000000002, 0.00033, 0.00038000000000000002,
0.00034000000000000002, 0.00033, 0.00027999999999999998,
0.00027999999999999998, 0.00027999999999999998, 0.00024000000000000001,
0.00036000000000000002, 0.00029, 0.00027, 0.00034000000000000002, 0.00029,
0.00024000000000000001, 0.00033, 0.00040000000000000002, 0.00027,
0.00038000000000000002, 0.00027, 0.00021000000000000001,
0.00017000000000000001, 0.00020000000000000001, 0.00027999999999999998,
0.00032000000000000003]
+ noe_err = [0.0071371999999999998, 0.0071482999999999998,
0.0090542000000000001, 0.0073617999999999999, 0.0071636,
0.0067083000000000004, 0.0067882000000000003, 0.0076052000000000003,
0.0046737000000000003, 0.0047003000000000001, 0.0061779000000000001,
0.0087358000000000002, 0.0064637999999999996, 0.0084919999999999995,
0.0067708000000000004, 0.0064495999999999998, 0.0079068000000000003,
0.0059157999999999997, 0.0053657000000000002, 0.0088774000000000006,
0.0096562999999999996, 0.0078910000000000004, 0.0066074000000000003,
0.0091068, 0.0079459000000000005, 0.0088655999999999995,
0.0071831000000000004, 0.0069040999999999998, 0.0070117000000000001,
0.0065712000000000001, 0.0063590000000000001, 0.0054622999999999998,
0.0061237000000000002, 0.0058399999999999997, 0.0072487000000000003,
0.0082611999999999998, 0.010810999999999999, 0.010808999999999999,
0.010059999999999999, 0.0091409999999999998, 0.012137999999999999,
0.0063179999999999998, 0.0080087000000000005, 0.0067654999999999998,
0.0090647000000000002, 0.0085708999999999994, 0.0071379,
0.0088193999999999998, 0.010037000000000001, 0.0074373,
0.0059819000000000001, 0.0065192999999999996, 0.006594,
0.0057096999999999998, 0.0078305000000000007, 0.0062278999999999998,
0.0053839999999999999, 0.0085550000000000001, 0.0064421000000000001,
0.0066708000000000002, 0.0089885, 0.0095670000000000009,
0.0073683999999999998, 0.0092160000000000002, 0.0079343999999999994,
0.0059852999999999998, 0.0039353000000000001, 0.0040734999999999999,
0.0060822000000000003, 0.0067099000000000004]
# Loop over the spins.
i = 0
@@ -99,9 +99,9 @@
self.assertEqual(cdp.num_ri, 1)
# The R1 values and errors.
- r1 = [2.1929824561403506, 2.3315458148752621, 2.3485204321277595,
2.2492127755285649, 2.2794620469569185, 2.2197558268590454,
2.2401433691756272, 1.9681165124975399, 2.0881186051367719,
1.9976028765481419, 2.1645021645021645, 2.2727272727272729,
2.1992522542335604, 2.2794620469569185, 2.0872469213107911,
2.2846698652044779, 2.1079258010118043, 2.2431583669807091,
2.3490721165139767, 2.2753128555176336, 2.4673081667900321,
2.3957834211787254, 2.1335609131640707, 2.3623907394283012,
2.3849272597185784, 2.3272050267628575, 2.4207213749697409,
2.3724792408066429, 2.3430178069353325, 2.1929824561403506,
2.2381378692927485, 2.2461814914645104, 1.9912385503783354,
2.2935779816513762, 2.254791431792559, 2.2241992882562278,
2.2805017103762828, 2.1724961981316535, 2.2794620469569185,
2.2660321776569226, 2.17296827466319, 2.1915406530791146, 2.2016732716864817,
2.1141649048625792, 2.244668911335578, 2.1335609131640707,
2.0458265139116203, 2.1920210434020166, 2.2753128555176336,
2.369106846718787, 2.2983222247759136, 2.3769907297361539,
2.2256843979523704, 2.2846698652044779, 2.3424689622862496,
1.9739439399921039, 2.164970772894566, 2.3191094619666046,
2.1891418563922942, 2.1815008726003491, 2.2680880018144705,
2.2466861379465288, 2.2487069934787498, 2.3153507756425098,
2.1758050478677111, 2.1635655560363478, 1.8566654288897142,
1.6126431220770845, 1.162655505173817, 0.76277650648360029]
+ r1 = [2.1931556000035091, 2.3314642761386288, 2.3482998309224121,
2.2490812503092488, 2.2794204801371301, 2.2197311905528241,
2.2402487572220018, 1.9682404717478763, 2.0880183244488153,
1.9977625059932875, 2.1644881093845711, 2.2725568309649504,
2.1992861117281328, 2.2794360675168961, 2.0871205875661878,
2.2847272835278019, 2.1080324468354217, 2.2433596554199569,
2.3491493730120321, 2.2750850881822982, 2.4672959916309321,
2.3956227181693608, 2.1334016021846032, 2.3625860867305351,
2.3848078202618042, 2.3269721670859096, 2.4206451987712803,
2.3722597434638315, 2.343270361847809, 2.1927612565399106,
2.2380977959212909, 2.2461360844008094, 1.9912266553564995,
2.2936831964769029, 2.25463891957703, 2.2244169803094609, 2.280408101833904,
2.172312143876578, 2.2795451851446598, 2.266191370796498, 2.1729305009908564,
2.1917183729559486, 2.201809006279559, 2.1141693745652739,
2.2445782213064343, 2.133488082335572, 2.0460023160746217,
2.1921507848995887, 2.2750902642062325, 2.3691236848402144,
2.2981479225891852, 2.377233708223089, 2.2256001887308958,
2.2846020109066898, 2.3422878999749375, 1.973756927886817,
2.1651301459730745, 2.3191578673951914, 2.1891945734244915,
2.1815674998800136, 2.2678668217887572, 2.2465094858863042,
2.248479465761279, 2.3154901661132645, 2.1756630333094011,
2.1637200405913881, 1.8566309574645847, 1.6125599066005301,
1.1626041402658644, 0.76306229106400647]
- r1_err = [0.014880999866157337, 0.016305389907315549,
0.020367500401919193, 0.016689952594696567, 0.015719600127590123,
0.014519007231526706, 0.021884455409060793, 0.031553210947800121,
0.013516722288950796, 0.012451584734646201, 0.017587777848252526,
0.01930614083600117, 0.013710416815416748, 0.018438721559581889,
0.011700308337951106, 0.014868730296918082, 0.015735896582880042,
0.013907177012972227, 0.011940490758549173, 0.018297535992639891,
0.022613307092069063, 0.018089794212302137, 0.011600342247785368,
0.020466269084813589, 0.016622000917262632, 0.018913175295357285,
0.016740970503641386, 0.014809677834126811, 0.014473222171486666,
0.01312685322667804, 0.014051156180670562, 0.011839239769408007,
0.010845154260145616, 0.012710100746575557, 0.01475504841339422,
0.018224044737379666, 0.021726136339921612, 0.023445123352435857,
0.020589999021856674, 0.021775569733310626, 0.048389829224705166,
0.014865103396879045, 0.015545246293344644, 0.014289738293510547,
0.019752536366294992, 0.01856381644950281, 0.013291261423732419,
0.017645560818005727, 0.022974561757993714, 0.017861486652818469,
0.013101517824931564, 0.01624275795401255, 0.01547797093546942,
0.012509889833705046, 0.018324767779254535, 0.012864018945770517,
0.0098056514488911589, 0.019461796684650767, 0.015102297844042096,
0.015366135101206419, 0.020267745263014409, 0.0203686835395216,
0.015797113541504586, 0.020433831608517763, 0.014402108143244772,
0.012423043539408495, 0.0098446747338726565, 0.011086795327428331,
0.013080860844231643, 0.0029557520393643042]
+ r1_err = [0.014883089934780979, 0.016303964816225223,
0.020363318742260723, 0.016687709376937879, 0.015718752396670817,
0.014518431475680691, 0.021886132469627697, 0.031556287075440621,
0.013515188095333659, 0.012453357417944776, 0.017587242385253953,
0.019302908234606619, 0.01371059959156644, 0.018437979357718477,
0.011698687778157989, 0.014869218069149722, 0.015737214115414941,
0.01390943018668532, 0.011941067694394526, 0.018293553488398374,
0.02261268912683069, 0.018087051681058786, 0.011598407444726788,
0.020469296587543661, 0.016620045900872408, 0.018909060457610323,
0.016739624643405365, 0.014806679126327058, 0.014476089754057037,
0.013123976098001535, 0.014050407715829098, 0.011838554421252851,
0.010844835351527457, 0.012711044971238742, 0.014752794876103476,
0.018227294017845289, 0.021723973501089892, 0.023441165299977383,
0.020591141498844744, 0.021778249169927173, 0.048387937817301517,
0.014867254858784009, 0.015546891671168217, 0.0142895492367403,
0.019750595476352866, 0.018562225014765673, 0.01329331372822814,
0.017647341591456655, 0.022969665803225174, 0.017861428710653073,
0.013099301992997067, 0.016245795194826523, 0.01547652953130973,
0.012508928370486994, 0.018321615170728861, 0.012861357034233434,
0.0098069239594803376, 0.019462269334464877, 0.015102761537490045,
0.015366805452534153, 0.020263438728953861, 0.020365125023511663,
0.015793641211181965, 0.020435935240713243, 0.014399976749920211,
0.012424600763085578, 0.0098441373116733167, 0.011085457618140082,
0.013079658707916478, 0.0029578895055556633]
# Loop over the spins.
i = 0
r12622 - /1.3/test_suite/system_tests/pdc.py