From 93b22ec9f95dd4d291a2c4df76d97cf21b1c1912 Mon Sep 17 00:00:00 2001 From: Nicolas Riel Date: Mon, 2 Dec 2024 21:33:20 +0100 Subject: [PATCH] updated tests --- src/MAGEMin.c | 2 +- src/TC_database/objective_functions.c | 1 - src/initialize.c | 2 +- test/test_diagram_test0_mp.jl | 98 +++++++++++++-------------- 4 files changed, 51 insertions(+), 52 deletions(-) diff --git a/src/MAGEMin.c b/src/MAGEMin.c index d7c2c99..53a7229 100644 --- a/src/MAGEMin.c +++ b/src/MAGEMin.c @@ -914,7 +914,7 @@ global_variable SetupDatabase( global_variable gv, } - if (gv.verbose == 1){ + if (gv.verbose == 2){ printf("\n"); printf("--verbose : verbose = %i \n", gv.verbose ); printf("--rg : research group = %s \n", gv.research_group ); diff --git a/src/TC_database/objective_functions.c b/src/TC_database/objective_functions.c index 90c6936..5a8f87d 100644 --- a/src/TC_database/objective_functions.c +++ b/src/TC_database/objective_functions.c @@ -5645,7 +5645,6 @@ double obj_mp_sp(unsigned n, const double *x, double *grad, void *SS_ref_db){ sf[3] = 1.0 - x[0]; sf[4] = x[0]; - mu[0] = R*T*creal(clog(sf[0]*sf[4])) + gb[0] + mu_Gex[0]; mu[1] = R*T*creal(clog(sf[0]*sf[3])) + gb[1] + mu_Gex[1]; mu[2] = R*T*creal(clog(sf[4]*sf[1] + d_em[2])) + gb[2] + mu_Gex[2]; diff --git a/src/initialize.c b/src/initialize.c index 47cc93f..2050e99 100644 --- a/src/initialize.c +++ b/src/initialize.c @@ -879,7 +879,7 @@ bulk_info reset_z_b_bulk( global_variable gv, z_b.zEl_array[i] = 0.0; z_b.bulk_rock[i] = gv.bulk_rock[i]; // if (gv.bulk_rock[i] > 0.0){ - if (gv.bulk_rock[i] != 0.0){ + if (gv.bulk_rock[i] != 0.0 ){ //|| gv.O_id == i sum += 1; } } diff --git a/test/test_diagram_test0_mp.jl b/test/test_diagram_test0_mp.jl index 044f0ab..3a5d0a2 100644 --- a/test/test_diagram_test0_mp.jl +++ b/test/test_diagram_test0_mp.jl @@ -1,55 +1,55 @@ # This checks the diagram produced by test0 (=WM Pelite) # -list = [outP{Float64}(0.01, 300.0, 0, -833.0576056208401, ["bi", "mu", "fsp", "sp", "chl", "g", "q", "ru", "H2O"], [0.03850404960267854, 0.24925932168642317, 0.099628833883104, 0.017510885822386243, 0.14252137698085598, 0.0004216867119977168, 0.3086802856437551, 0.005646078755344403, 0.13782748091345487]), -outP{Float64}(0.01, 400.0, 0, -844.0344447148049, ["g", "fsp", "sp", "fsp", "bi", "ilm", "q", "and", "H2O"], [0.0019402298244114513, 0.08909563387855304, 0.018745913328894998, 0.10728604725050628, 0.1713788649361108, 0.008628778042347457, 0.2876492902193946, 0.10605125681946612, 0.20922398570031528]), -outP{Float64}(0.01, 500.0, 0, -856.6383978620227, ["fsp", "sp", "fsp", "ilm", "cd", "q", "and", "H2O"], [0.08687666145086877, 0.02664916426138415, 0.1980460099683345, 0.013016514262756398, 0.24513148340216892, 0.19750171495018295, 0.0038970847351697912, 0.22888136696913441]), -outP{Float64}(0.01, 600.0, 0, -870.1635040741287, ["cd", "ilm", "fsp", "sp", "fsp", "q", "and", "H2O"], [0.24821318385428448, 0.014250605373591477, 0.07054570634470894, 0.02432390299973794, 0.2143788776775633, 0.19604392653258135, 0.0030798988055965883, 0.22916389841193602]), -outP{Float64}(0.01, 700.0, 0, -884.4780862581831, ["fsp", "cd", "sp", "ilm", "fsp", "q", "and", "H2O"], [0.05274311148907001, 0.25232922349174325, 0.02110697282968352, 0.016246108897507956, 0.23218147263955216, 0.19435146658777233, 0.0017544852682429097, 0.2292871587964278]), -outP{Float64}(0.01, 800.0, 0, -899.50265655324, ["cd", "ilm", "sp", "fsp", "fsp", "q", "H2O"], [0.2579253999870903, 0.01888594263738198, 0.016831242759389697, 0.2484965984892075, 0.03642743546791911, 0.19208458660006167, 0.22934879405894987]), -outP{Float64}(0.01, 900.0, 0, -915.194498816163, ["fsp", "fsp", "ilm", "sp", "cd", "trd", "H2O"], [0.26360008865726203, 0.021323364333619123, 0.018921095513557678, 0.017228266048542884, 0.2569192512991538, 0.19262195739832752, 0.2293859767495371]), -outP{Float64}(2.01, 300.0, 0, -827.5560382667435, ["chl", "mu", "fsp", "ep", "mu", "q", "ru", "sph", "H2O"], [0.1851661121455845, 0.3172271450655524, 0.04986276859393862, 0.019412314184712707, 0.0032234843914481235, 0.2974941698830008, 0.005068418492920641, 0.002189735584487368, 0.120355851658355]), -outP{Float64}(2.01, 400.0, 0, -836.7777955969941, ["chl", "sp", "mu", "fsp", "ep", "q", "ru", "H2O"], [0.17693305858500946, 0.009776732855817129, 0.29078589150646966, 0.0916027417479191, 0.001012968537342131, 0.29634032527998494, 0.005798056558135628, 0.12775022492932198]), -outP{Float64}(2.01, 500.0, 0, -847.1242981605604, ["fsp", "bi", "chl", "mu", "sp", "ilm", "q", "H2O"], [0.08630404671570935, 0.04340396893742579, 0.1263496871343952, 0.26574706004365806, 0.012060099523610422, 0.013720978851072116, 0.31213957179644974, 0.14027458699767933]), -outP{Float64}(2.01, 600.0, 0, -858.7377571545625, ["bi", "fsp", "sp", "ilm", "mu", "q", "and", "H2O"], [0.1969700539787955, 0.11306081028168936, 0.007296751857430366, 0.009951513289963208, 0.10381353624625415, 0.3146378066496721, 0.06526549514998481, 0.18900403254621045]), -outP{Float64}(2.01, 700.0, 0, -871.6128492248936, ["ilm", "cd", "sp", "fsp", "fsp", "liq", "q", "and", "H2O"], [0.015200255117630755, 0.25942344623442337, 0.02444192380510022, 0.1981936216115125, 0.05258134279456332, 0.07161052282364724, 0.1739588280169084, 0.0008213273966407165, 0.20376873219957348]), -outP{Float64}(2.01, 800.0, 0, -885.6908567634172, ["ilm", "liq", "fsp", "sp", "cd", "H2O"], [0.014186797221360205, 0.5943856634240922, 0.011324366854399937, 0.02748901761704372, 0.2284635085831138, 0.1241506462999903]), -outP{Float64}(2.01, 900.0, 0, -900.6262124546367, ["sp", "liq", "cd", "ilm", "H2O"], [0.02772243207904183, 0.6511766553371591, 0.18703500959369446, 0.014793322194980198, 0.11927258079512447]), -outP{Float64}(4.01, 300.0, 0, -823.31184502049, ["ilm", "mu", "chl", "fsp", "ep", "mu", "q", "sph", "H2O"], [0.0024269888504869085, 0.2948958560323123, 0.17944217488155098, 0.02399285983773755, 0.0003817691558045545, 0.06505211866903478, 0.2990928075827046, 0.01723722054845732, 0.11747820444191097]), -outP{Float64}(4.01, 400.0, 0, -832.4478147553584, ["mu", "sp", "chl", "fsp", "ep", "ilm", "q", "ru", "H2O"], [0.31416277836536, 0.001917770416301063, 0.1799575915743052, 0.05856625648316224, 0.018420220688933873, 0.0019662383377341505, 0.2968890818111359, 0.0056722518910093155, 0.12244781043205827]), -outP{Float64}(4.01, 500.0, 0, -842.6824772179411, ["sp", "mu", "chl", "fsp", "bi", "ilm", "q", "H2O"], [0.009036050135606502, 0.2903765068111636, 0.1480001690842582, 0.08594191723487461, 0.01412439923134863, 0.01515761597376707, 0.30311948636175456, 0.1342438551672268]), -outP{Float64}(4.01, 600.0, 0, -854.0428398765689, ["bi", "fsp", "sp", "mu", "ilm", "q", "sill", "H2O"], [0.1883696597612271, 0.1032223226860338, 0.010513748772935113, 0.1259566552065655, 0.010437615521400434, 0.3155261464367988, 0.05983343171898722, 0.186140419896052]), -outP{Float64}(4.01, 700.0, 0, -866.5759720483693, ["ilm", "sp", "liq", "bi", "fsp", "q", "sill", "H2O"], [0.007475800366775325, 0.01500399018345579, 0.31093386122940564, 0.18875333127508312, 0.04421435926392682, 0.21063666171309692, 0.09087755336480707, 0.13210444260344936]), -outP{Float64}(4.01, 800.0, 0, -880.5272893394553, ["ilm", "liq", "sp", "cd", "H2O"], [0.01399160095578224, 0.6902194854888688, 0.031247534092097722, 0.20556970900042745, 0.05897167046282383]), -outP{Float64}(4.01, 900.0, 0, -895.3784687921311, ["sp", "liq", "ilm", "cd", "H2O"], [0.028842179886067625, 0.7600964943900428, 0.015079571278077611, 0.14975958399293793, 0.04622217045287414]), -outP{Float64}(6.01, 300.0, 0, -819.1281867761076, ["chl", "mu", "mu", "ilm", "fsp", "ep", "q", "sph", "H2O"], [0.1695284491505264, 0.2818337471622517, 0.11172850967826978, 0.0018970597184254122, 0.004002810292231521, 0.0005093859311403967, 0.29753167366855665, 0.017282766426741328, 0.11568559797185693]), -outP{Float64}(6.01, 400.0, 0, -828.1971901876552, ["fsp", "mu", "chl", "ep", "ilm", "mu", "q", "ru", "H2O"], [0.03944797691477911, 0.30778135994039724, 0.1754806139421232, 0.02184344497517905, 0.001842922297678305, 0.03189038448206554, 0.29591598637872296, 0.005685454721393246, 0.1201118563476612]), -outP{Float64}(6.01, 500.0, 0, -838.3449345285522, ["ep", "mu", "ilm", "ilm", "chl", "fsp", "q", "H2O"], [0.005857390056580403, 0.3108262113166921, 0.005963813765311892, 0.014119467782384904, 0.16210628082930637, 0.07430379638142835, 0.2981578969313756, 0.12866514293692038]), -outP{Float64}(6.01, 600.0, 0, -849.5600218814768, ["sp", "fsp", "bi", "mu", "ilm", "st", "q", "H2O"], [0.009514698642612906, 0.08760039281468722, 0.15079759035538412, 0.17995047198688768, 0.012187521643308297, 0.06252505748071593, 0.3211936516524188, 0.17623061542398513]), -outP{Float64}(6.01, 700.0, 0, -861.912518551576, ["sp", "g", "fsp", "ilm", "bi", "liq", "q", "sill", "H2O"], [0.011397007159995136, 0.0002982220026260501, 0.03468295599251741, 0.009036043884114003, 0.19143913573395302, 0.3375707981525892, 0.21465997919783397, 0.09314334370944144, 0.10777251416692966]), -outP{Float64}(6.01, 800.0, 0, -875.6710559269228, ["liq", "g", "ilm", "cd", "sp", "H2O"], [0.7593587321544826, 0.020252763645881973, 0.014650054515226142, 0.16927269531730837, 0.030690863460665418, 0.005774890906435424]), -outP{Float64}(6.01, 900.0, 0, -890.4855696493137, ["liq", "cd", "sp", "ilm"], [0.8294303546238486, 0.1257642107547648, 0.029277456779133237, 0.015527977842253125]), -outP{Float64}(8.01, 300.0, 0, -814.9915514759003, ["chl", "ep", "mu", "mu", "ilm", "q", "sph", "H2O"], [0.16634785728828147, 0.000587217017185221, 0.12143685280444352, 0.2791122987760524, 0.002651610311645189, 0.2971093414551455, 0.017230954548513713, 0.115523867798733]), -outP{Float64}(8.01, 400.0, 0, -824.0066263972228, ["chl", "mu", "mu", "fsp", "ep", "ilm", "q", "ru", "H2O"], [0.16536639004725845, 0.08469342989485688, 0.2916557266091554, 0.016579280960623544, 0.022976805170107167, 0.0007403585685727025, 0.2943105322953383, 0.005754043914624577, 0.11792343253946297]), -outP{Float64}(8.01, 500.0, 0, -834.0848114213993, ["fsp", "g", "ilm", "ilm", "mu", "ep", "chl", "mu", "q", "ru", "H2O"], [0.045930943312421355, 0.00021402794446261542, 0.010374612776990044, 0.004326033381107833, 0.3234523678589545, 0.017650821019007733, 0.16117168904629617, 0.012950246443188393, 0.2978189373814353, 0.0015477753754265479, 0.1245625454607096]), -outP{Float64}(8.01, 600.0, 0, -845.1945375708606, ["g", "bi", "mu", "mu", "ilm", "st", "ilm", "q", "H2O"], [0.028696103480441944, 0.15053519043387803, 0.18148317387742094, 0.12226702934695881, 0.006534021107521517, 0.009018237647557497, 0.012917300536998718, 0.3280827020390481, 0.16046624153017447]), -outP{Float64}(8.01, 700.0, 0, -857.391182992868, ["fsp", "sp", "bi", "g", "ilm", "mu", "liq", "ilm", "q", "ky", "H2O"], [0.037890038787477064, 0.005086888424624856, 0.17040427098691352, 0.017131318876631753, 0.008027054208947277, 0.08364677303112658, 0.22770587058566355, 0.0059921520242661045, 0.2548098431779543, 0.0717737191214457, 0.1175320707749492]), -outP{Float64}(8.01, 800.0, 0, -871.0027759692733, ["bi", "ilm", "liq", "g", "q", "sill"], [0.030730475226044475, 0.023720935234762555, 0.7453652000105682, 0.11164365944842744, 0.02242364164274908, 0.06611608843744823]), -outP{Float64}(8.01, 900.0, 0, -885.7032196704307, ["g", "cd", "liq", "sp", "ilm", "sill"], [0.062497123127071064, 0.04910410502292299, 0.8295541031405728, 0.01626528861241504, 0.01934593934477496, 0.023233440752243286]), -outP{Float64}(10.01, 300.0, 0, -810.8873388888986, ["chl", "mu", "ep", "mu", "q", "ru", "sph", "H2O"], [0.16000403570739416, 0.1254057729940838, 0.01955296676144378, 0.2773285982488158, 0.29379879137446097, 0.004795953727255669, 0.0030068377898968086, 0.1161070433966489]), -outP{Float64}(10.01, 400.0, 0, -819.8684550169748, ["chl", "mu", "ep", "mu", "ilm", "q", "ru", "H2O"], [0.15679549857725386, 0.11784126633805525, 0.023267967823485124, 0.28633721792886363, 0.0004933562967204628, 0.2930111336326455, 0.0057700983410704015, 0.11648346106190582]), -outP{Float64}(10.01, 500.0, 0, -829.8895629777104, ["ep", "g", "chl", "mu", "bi", "mu", "ilm", "q", "ru", "H2O"], [0.020952204421535933, 0.0017813582231390186, 0.12581788596285942, 0.2689883920298018, 0.03714061087970128, 0.104390198585459, 0.007742784934764783, 0.3035736461699881, 0.00447490167974204, 0.1251380171130087]), -outP{Float64}(10.01, 600.0, 0, -840.9415104495429, ["ilm", "g", "mu", "chl", "ilm", "bi", "mu", "q", "H2O"], [0.008815781800253455, 0.053385891569252684, 0.09956584199359535, 0.02345606682194166, 0.011937142571504794, 0.0972778968114709, 0.23433155061151836, 0.3154359763211764, 0.15579385149928646]), -outP{Float64}(10.01, 700.0, 0, -853.0346881300806, ["bi", "ilm", "g", "mu", "liq", "q", "ky", "ru", "H2O"], [0.09965023602343986, 0.018941901488231497, 0.07700247721353479, 0.16976818038275532, 0.2386519064800979, 0.24935685157859702, 0.04741468313865718, 0.0003212796742986667, 0.0988924840203878]), -outP{Float64}(10.01, 800.0, 0, -866.486957468709, ["liq", "bi", "g", "ilm", "q", "ky"], [0.6932317546157768, 0.030861755040877233, 0.11713862411816836, 0.02355096451232427, 0.06240653566200013, 0.07281036605085321]), -outP{Float64}(10.01, 900.0, 0, -881.075080587858, ["g", "ilm", "liq", "sill"], [0.1154927845072129, 0.025429924819401144, 0.8072132605236049, 0.05186403014978104]), -outP{Float64}(12.01, 300.0, 0, -806.8136316155371, ["chl", "ep", "mu", "mu", "q", "ru", "H2O"], [0.15793042154561449, 0.023529346765841824, 0.1268497037290614, 0.27649106719719, 0.29304459109467523, 0.005798186113593563, 0.11635668355402362]), -outP{Float64}(12.01, 400.0, 0, -815.7640802383261, ["ilm", "chl", "mu", "mu", "ep", "q", "ru", "H2O"], [0.0015895790127192736, 0.15542315483128416, 0.11966942529038699, 0.2847479114240702, 0.023196679477107175, 0.29292546103888534, 0.005712294766587303, 0.11673549415895973]), -outP{Float64}(12.01, 500.0, 0, -825.7453470408296, ["mu", "chl", "mu", "ep", "g", "bi", "ilm", "q", "ru", "H2O"], 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