mailr25518 - /branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by tlinnet on September 01, 2014 - 23:25:
Author: tlinnet
Date: Mon Sep  1 23:25:34 2014
New Revision: 25518

URL: http://svn.gna.org/viewcvs/relax?rev=25518&view=rev
Log:
Fix for data-stripping script, looping over the wrong indexes.

task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR 
estimation from Jacobian and Co-variance matrix of dispersion models.

Modified:
    
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/final_results_mc_strip.bz2
    
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/final_state_mc_strip_data.py

Modified: 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/final_results_mc_strip.bz2
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/final_results_mc_strip.bz2?rev=25518&r1=25517&r2=25518&view=diff
==============================================================================
--- 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/final_results_mc_strip.bz2
        (original)
+++ 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/final_results_mc_strip.bz2
        Mon Sep  1 23:25:34 2014
@@ -1,18 +1,17 @@
-BZh91AY&SY³>}¿Àÿ€TtDPïÿ÷½Ëü
-¿ïÿú`]ô qíáÄ7· Ó ¡ í=·AªÙ¶Û[8I&„ÄÐSô) P=2šhm#!ê
6 ”FÒ&†M0Ð11˜Lš¦mT“ÔÉ  
$ґ1Dôõ4ò˜ê4Ñê= Ä z€ã&M†&˜L‚bi¦€ T "!M

F§´0
4ÓLۙéIÎòY Rªž0ðfbg‰ôø$’Oµ$©">÷ÊZ^I5hX‘ ƒ$F$"ˆ$D ҕöÙ    
A€DdD"!@Xˆ
-°‚ð’XI"¬R@çõúCæzyƒôØeUT$TUYDrÝå}Çn
-Ÿ¯mäߑEýû²¯¾º7Vuö´Éè¬
Žˆœ,‘nÁc|\Œ!#÷k73L\´þ?œÍã¦ý%á?¬öÍîZ1ÌäÀZÎPcco±O
½qÜ2Ûöb"vݗ¤7ožmÕJÈL°XšÈÙïu5¯w•ÂµÃ¡Ýðõg¹E‹OñÂ&-‰J*J`Dh‰c¡JÑ´¨•bÑ¢U‹K
-a(â´kkV[iE¶”ª• ÚÑ­­ÃƒF4Exú8ú¡ý‚}l$($•àâàèæÉîà
aœ,ùùûÆï›ß¡ÖÈ^T“!JIˆˆhvr%$ÈI$ÈY©&B”“%)A™    $™
-%&B^´™ Y&A˜iÕ©M
-µnÄÒ,ÖèêSI»mѵ4š«tuVèì)¤±Ñ–Æ&4݉¼5a!Â›`×dvËmâPM[7bôÓe×]–—ÃʗÂÒK’ï¿+7j/²(¢RIp«p
 âI©‰Ë.8–ÓBË©²’í®†Íe€Ý…–Ö‚íËk†ìÛ*XÍF÷½€/
­SR®\©0AX€±BGš"¤<˜gVÀHÍvfš®·¥&÷‹â.($¸Xr…Ì,Vï[>7µf1…
Špêe³+4Ü8ßMa7Q(m³jc.Rzž>ïÖäG‰ªC¥Ü»‰"Ê]vÖhE‚¢E0ð …
ÙÛ@ú¿7»ì|_;B|t#T“èù,·OiôI-€¢H0$Iâ'@1D28ù0@ÖãšÀ)¨™B¬Ô$à3Hw”d;¼SGöD¹‰%wlT“‹Šú/n08a`2Â%°ll!e0»­ŒYK0ÂÓ¤’èT‰K"GôílåZc¶Þ4ÔÃS^UX—e¶¹„(¦³,ç
$‰Ãá»g•l‰D5±Tâ¤sc-$̧߰f^˵-eÝw`Á¥êz•$ªJ¶ö6Pɽ”£ÕN×^ï4ÙPÎË3uY-ϧ  
ˆêIK4§7rµ4ºaáÂçJ¬µp:
-’J‚¥;ûWeE)ŠU)Nä›/}²¤,ܤ
-DŒ$°xVK´º
-ƒR‰8uÇø{=>/g=½ú.ÇE¼¬§±‹=^¯k|øÝks›ì¤õ†êJ3J¤;Qœ­©
-Rʒ0¥]];©©»:±e–RîfŠSÑLE3RU#
-9rK½Ë-/3cˆL^bY§¥#!I2*’¤*
-J՛îºlöȑ•!K®ÇjeTì=›ÄFçõ…)+M5iTÑif4**'¥BIY¯Õ 
ÀL².BDËL€¡4Ц$)KaX_VaÇ8Ãå$ßy&Ë£¿즐´¦ë¼,®Þ-Ž_^´¶ë0ËÃn\ºUo¿ë[¥¹Óq$ÓgìÐl[6Èeec`Ö²Ýkñ±gºÖ;ž¥'-©å–¦£›žXRåfzð½Õ<3§—³w
±©YÝÂë-³Í¼a‡™%Úë,©w±)…
ù’I࿪Ìz›ó¿k3‡-´ÉÒud0µ"—l¤—¬å[ÐÞêgsї/^e²”H›Øó$¦yd2Âüf2¤Udéًºl¾VLt£¨ROZÓtNÏ4ŽWòÊÝ;íj՚jõ¿—”é‡1mévöY$Š™au–!u:»2àbrX6EÕÖj­†+8Í)f]dL0m51,€`¦A°"R1·‹ÞøÅHËO"6e”’ž8TªyæëåÃp·7é‰&ðªJIEEIBŠz{%gf¯v½z÷å¶Ì±¶œ7b̈iáĸ‰Œ1½xh-Ãwa¦^˜Ýuƒ
-H¹ÔHP•iu™[cB¯KÆy–A:ŠSĒΛºÙúÅZrÐ̒Ýá³Õ<$‰Ã…
.í¼t$‘ÂÌ<ït6õñeÝnχoE­L³}Ջ:jíâxÃi$Mü+iwk-ð߶7iÌ¥Ú[®ƒ…!§1      , 
¤4à8oR@‚B·Ëžž¯f"'¥ï ‰bd—×'F؃°¼+'¡ñ…|ð‚"´í)&”Ìv¶í¶£›Ž"'*þöÃË$¼¶Ãu
-“s¸©bˆ¤c¯âœ_`!†ÉƐ2gœÙû"•ûò3–£QÝÅ6zÑÔDR†ÒâDd@ÒÌ'C2ôöÔ°n~‡†¤/¯¢ú@C¤
Ýíq#‰AŒÒ’ÄF3ÉØθk}JCà’»úþZ‘!kâçýÿý‘!ƒSçæÇÖDƒ@…íákŠI7)çh
-,P…d*H,•"*(   ;8:í­µ¥­­­µµ¶ÛmmhŠ(¢Š(¢‚ ª 
4ùnM³oßæú2ÓM±ŒbÔs!!ôÀHÀHÀB0>¦0¨RT(”…
'ÙDá$%áIPúà¨Y?þ?Fñ¹é·k^è‘ñûóòü׫_åüzÉÉøžþýºÿ;ØӋ²»ÑJ6v31®×(XÊ(þ3_K²ú¼’\Š¯[]Àsöo]€Š;½ìiV
͋i6º[0UicØ{»×\À     ï¹ 
i*­ÚTÀ‰ûætr˜yA5ª¬òŠÞ¤Tµ•©ºT‡¢:¶8÷¹æ)ámKŽÆáµÎ,Hw$Ýlº% 
ÎP²;ÚJÂ"^φØÑ©QrSkI-Hªˆ|¸‹2¾ö^h€òå@0ŸP¶ó50PKEdF5·¶/Ò¦p2àê#Ó<ð”cby|8P¢Z,¼Ž£·s4²F.RÙJÍ
± "/ïˆ„‹®ptϦÎ3Ÿ3‡p̙†g]ìO*RÎJXq’̍,‘MjA‚Gü׌³O­bâ€X& 
d|XcqBÖ±Û'mkGëCÀØтõkp\¹:›˜ïFÀWUoÈRfµKÆIŸRçe=*<iŠ”šKi$8}÷»·ºÔ½íM—AŠ:£NôCJrm
Ûø81¤5‘Ì8åµ
-Á „
%Å×@ßjFÁM,Ç´oV;ØOx—Š!Ö\¸SSÂyõamÀ3Ó¯^O{‹KB-k7EŸ%£[-çÊI¼kü®ö†Ä$9†üÇ;üýÏUWMVx)4ñ4ûLTèJñ´êƒ³D¤chájæõ\oî'C¨|–®ö_kþ+¾õþãã«Z™ÊÌíl™‰^^^^^zîÏ5Ô՜Vdª´ºb¼â6yV‚¢à6åPõ9n|Q½ÁҊ7\bU+Ìc
 Ĥ x@Î.;    ñ9bJÃÜÛáêa‘Ëz¯ö릤…}_­Žô“@ÖÜL€Ç™1« .fքƒ<U¤±hA`v2¤¬Õ'Ö
-ÃÂnDÖ³*„Ž€t9Ày^>>*ð9ÿrE8P³>}¿
+BZh91AY&SY4   Àÿ€TtDPïÿ÷½Ëü
+¿ïÿú`_< pàˆîîô=ÓÛP;
+ -f»k°$ˆBdh'¤ÔѦÓ”õ4ڙPiµ i
+Ð
ESýšª42hdC ¦Ma&”‰¢§”y&›H¡êhõ
PƦ€Ð=@q“&ŒCL       ¦Á14Ó@*HB
+z§¤õ‡ dzÇ?*þ0¤ú¥-$,µUSù        nÊó0²Aõüä’O¹$©">ïá-   /$š´
+¬ȐA’
+#D@’"B/K!(0Œ$<ID"!@Xˆ
+°‚ð…’XI"¬R@çõúCåzyCôرUU UV@µyßQ߂§ëßzöäQõù×6êο™<Ձ±Í…
’-Ö,o‹‘„$
a†æi‹–ŸÇó™´tÛ¤¢¼'õžÌÞ+F9œ˜A™Ê
c™ìmÖ)ãîÙÙ£-Ÿ†!š'5ÙûƒnéäÞZP6!2Á`\Rkw¿ñ5¯6.5+…
k‡C›Å՞¤M-?ǘX´b%(¨a)¢%ŒB…+FÒ¢U‹DJ‰V-,)„£ŠÑ­­Ym¥ÚRªTVƒkF¶·
Ñãçãê„öH1õ° ’WƒwG.H·wlàÁ‡ÛÛñÎ^þçِ¸É&B´“!TÔìåZI’I¶RL…
i&JÒ¢ª©2I2ZL„·Òd%„™$èËDnKOÃ>Æe¥ÑÁĖ™!¡fZVe¦Èhš–š¹iµï/Ư<›¨‘…
Eœ­.ß4®qϕ,SnbôӅ×]–—ÃʗÂÒK’ÞúY¶¢ü!ʊ%$—
+·*dš˜™²ç™m0d,ºœ).ÐZèpÖX
°²ÚÐ]²Úå¶m•,f£wÎ3L±&Š‰s$”#Ef
+X÷J’žÍ3¬h,fË3\æ"óšÎ«" Á¢Ì† É£&  ËÎB¼ânµ¥¨%À/©—
¬ÓaÎôÖj%8qLeÒOsÏÏÿ{ÙÍ"FÕ!ڂîž"G•²—]Ś`¨‘L<‚avxÄHw§O/“¬x¼Ì&Â]þw¸È;ÒN„@Q$
$ñ“ ¢H|˜$ڂ
 l–P0Ú¶“š\Žèˆ Tˆˆ–ÁúÑ#ùq$¯ÅI9°(¯£µíÎ,$la)°@ØØKÊav%[²–a…
§i%Щ*–D¯ÂÙʴLJtÔÃS^•_<Ì4ÞW¹„(§ƒw†’Déf•ém"F#Ïã¶*›©ØËI7à3)ٗ–rúTµ—wâÁƒKÔøB•$ªJ¶ìp¡“vR‚ž^ïTáPÏ3uY-×·#
 ʈîIK4§Wtµ4ºaåÊçj¬µp;
+’J‚¥<}˲¢”Å*”§‰'ߌ±d.ÙH‰I`ò¬*—et,¥Hœ»çÿßµðߏ~—c¢ÞVS݋=žÏƒyøíku›ð¤÷†Ô”f•HxQò֗T
…)eIR®¯8U!u9VtbË,¥Ý,ͧº˜Šf¢fF4rô—k–Zf4±‰eÃ&/3–ȇœD’•
+¤©
+…B’µföºpùH‘•!K®Ç+jeTð
ÄFÏAï
+Rmuݳv;YtEªË(9ãã|Û¾1Œ`„™-„&‚XJL‰H˜pà…
(Ä¥°¬/Š«0ß8Ãå$Þäœ.Žü;²šBқ]áexUöÊùö¥¸Y†^råÓVº
çä¿kqÃ9’iÃüô×2YXà5¬¶µùà³ãk'¨R“§ôËSQÕÏL)OY…
žÜ¯ucO,ééï·,±©YەÖ[‡«yÃRKµÞYRîWbSõ$“È=ÿÆÌ{›ë~gœi“´îÈajE.áI/Yʸ¡»©³Ù‡O}¹ÃN¢DݏRJk¦C,/Ð8c*EVNÞ
]áÂùY1áGp$¤žõ¦Ñ<©/镻xðµjÍ5zߧ¤í‡QmÒìì²I2Âë,BêwveÀÄè°p‹«¼Õ[<ÖqšRÌ0p 
RÁ¸p¥2A€$
2!—½ñ{ß©bIèG²’SÏ*•OXb”ÚùrØunÜbI¸U%$¢¢¤¡E=¾µ·»^ûéÇ±Æœ¶Å™Ó˙q8cuå 
·-½
2öpÆ×mO.2îÓð»ßž;Ýôçn±Ã›qáVÓj^Ye)æIgm»áûÅZtÐ̒ÛˇºyI—*2]á¸ì9I#•˜zÝÐ÷óÊîöϗ‡²Ö¦Y¾Õ‹;jíÄ$ó†.ÒH›ò®%Þ›Ã~`ÛN¥.ÒÝö©
:ˆIe!§!ÌA!   
ßäÛ·»š"'¥î±0Ä2É/t"Â÷6‹'™õ½0‚"²À¤šS2Ŷìµçlb"o_T=‚0Ä2É.ûaª…I©ÔTˆ1DR
1ÙòMßp!†Éʐ2giÕæDO£ØXÎbÜW‡˜uUQòàElPÖÌ'C2îõT°n>·†ð¾¾»é7gÁčÊ
f”–"1~fvC]îPBR@‹$$À>_ïøD&ºíp«#Á! Ð!{øBñP)&¥;Z‹ T!Y
+’%HŠŠO7eµ¶´µµµ¶¶¶Ûm­­EQEPDTèŸ=Âé³6þ_«-4ٌc£™ Ø             
FØÀ¡FFF $é!!ê’RbFÄ
+…“öÇ÷àS …¹þu­{¢GÕÑ/G¦
ðôtŠÐûŒÇEøf‚e`HˆÃú™˜]žP±”0Qü澆‡eéñHAr*»Úí㘇¿rê<ÙócB°fl[A°m²Ö    
 €
+«H££ãÚ¹æOuÉH×Un¦Hvß3—’a‚  ­Ug¤VêEKYZ›JöGvÇ?‰×XO;i\5¶ýŽpbC¹&çeË)R…
‘ÜÒV÷ï¶4jAT\”âÒKR*¢0\‹2¾ö^h€ò䠐ÇÊ-œM,f¬ˆÆ¶ú¢üÁ’g>ôTh™e„£ÃƒÇ龅
Íeätœ(Í·‰¡Ê1pؖºTn(mmxo|D$]s„Cš|Öpœø›ûdÌ3:íbyéK9°à#:ȍ,‘MJA‚CþkÆY'Ô±i@,P³žL1Š8!ëX쓶¥‰›zu™àkhÁ{58.NGSsÈÖ"ªê£ïúÊLÔ©xÉíô\ðSڣΘ©I¤¶’Hõ‡Þ|¼>Vª|͋
 
ÅhÓÁÆœ›!‘«o4†¹+Ôûx÷ÞN/wÁÛ¾îû=Hù¦¤ø­Ò½˜îa=â^h‡9rßM/¹JÓ§“mᖍZ³]:;¹`‡<î‰Ð(>
     $ZfŸ‰ ØBA#˜mÀP¼sÛçâ÷wUUtÖ³ÃI§‚ÝiŠ   B¿+O,š%#³GWªáx¯q (v
à\œ‰Ä÷¤ëOLê¼C‰,Eäā¯~ýûùë«<×Y­›¬2ÉUitÅyÈ$kñ­
E¼mª‘ê8rm|Q¹ÁҊ7\bU+Êc Ĥ 
t€6œ$\qG”ûN˜’°ù8þæ7Uø;í©!F_géöܒaۉó&4çæmHA½2ÅZK„S*JÍ2}@¬=ÓpÏRȪ9@ýDàs[ÛíöþîcÿrE8P4
        

Modified: 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/final_state_mc_strip_data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/final_state_mc_strip_data.py?rev=25518&r1=25517&r2=25518&view=diff
==============================================================================
--- 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/final_state_mc_strip_data.py
      (original)
+++ 
branches/est_par_error/test_suite/shared_data/dispersion/estimate_par_err/tsmfk01/final_state_mc_strip_data.py
      Mon Sep  1 23:25:34 2014
@@ -56,7 +56,9 @@
     # Generate spin string.
     spin_string = generate_spin_string(spin=cur_spin, mol_name=mol_name, 
res_num=resi, res_name=resn)
 
-    for exp_type, frq, offset, point, ei, mi, oi, di in 
loop_exp_frq_offset_point(return_indices=True):
+    #for exp_type, frq, offset, point, ei, mi, oi, di in 
loop_exp_frq_offset_point(return_indices=True):
+    for exp_type, frq, ei, mi in loop_exp_frq(return_indices=True):
+
         # Generate the param_key.
         #param_key = return_param_key_from_data(exp_type=exp_type, frq=frq, 
offset=offset, point=point)
         param_key = generate_r20_key(exp_type=exp_type, frq=frq)
@@ -102,6 +104,10 @@
         my_dic[spin_id][param_key]['dw_err_sim'] = dw_sim_err
         my_dic[spin_id][param_key]['k_AB_err_sim'] = k_AB_sim_err
 
+        # Check for correct size.
+        if len(r2a_sim_l) != 10000:
+            print asd
+
 
 ## Loop over spin attributes, to delete them.
 for cur_spin, mol_name, resi, resn, spin_id in spin_loop(full_info=True, 
return_id=True, skip_desel=True):




Related Messages


Powered by MHonArc, Updated Mon Sep 01 23:40:01 2014