diff --git a/.github/workflows/cpp-tests.yml b/.github/workflows/cpp-tests.yml index b01b89b..e0052a9 100644 --- a/.github/workflows/cpp-tests.yml +++ b/.github/workflows/cpp-tests.yml @@ -219,8 +219,10 @@ jobs: return 1; } // The R layer's arbitrated reference for this operating point, loosely - // compared for the same reason profit is below. - if (std::fabs(g[0].grad[0] - 0.0209349) > 1e-5) { + // compared for the same reason profit is below. ⚠️ COPY THIS FROM + // tests/testthat/gradient_golden.tsv WHENEVER RESULTS MOVE -- the + // `interior-1layer` / `vcmax_25` / `A` cell. Do not re-derive it. + if (std::fabs(g[0].grad[0] - 0.0209510) > 1e-5) { return 1; } l.set_physiology(roots, 900, {2.0}, soil_depth, @@ -235,7 +237,11 @@ jobs: // tolerances. (The value here read 2.5158434693939866 until #33, which // is 2.2e-08 off the golden row and inside the tolerance, so it never // failed; corrected so it cannot be mistaken for the golden value.) - return std::fabs(l.profit_ - 2.5158434915102319) < 1e-6 ? 0 : 1; + // + // ⚠️ COPY THIS FROM THE GOLDEN FILE WHENEVER RESULTS MOVE -- it is the + // psi_soil=2, ppfd=900, vpd=2, T=25, layers=1 row. No local build + // compiles this program, so forgetting it is green locally and red in CI. + return std::fabs(l.profit_ - 2.517156924533102) < 1e-6 ? 0 : 1; } EOF cmake -B build \ diff --git a/DESCRIPTION b/DESCRIPTION index 1b36306..7cf98cf 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,6 +1,6 @@ Package: phylloptim Title: Leaf Gas Exchange with Explicit Plant Hydraulics -Version: 0.3.0 +Version: 0.4.0 Authors@R: c( person("Isaac", "Towers", , "", "aut", comment = "Author of the leaf gas exchange and hydraulics model"), diff --git a/NEWS.md b/NEWS.md index 7254c35..a197eae 100644 --- a/NEWS.md +++ b/NEWS.md @@ -1,3 +1,41 @@ +# phylloptim 0.4.0 + +## One molar mass of water, so the kg <-> mol conversions are reciprocal (#51) — MOVES RESULTS + +`kg_to_mol_h2o` was 55.4939 and `kg_per_mol_h2o` was 0.018015 — two constants naming +the same physical quantity in opposite directions, disagreeing by **0.0277%**, used in +opposite halves of the model. The demand side converted transpiration kg -> mol with +the first; the supply side converted uptake mol -> kg with the second. So a water flux +pushed through both did not come back. The header said the discrepancy was deliberate, +"kept at the historical 0.018015 to preserve results". + +**Which one was wrong is not a matter of convention, which is what let this be settled +rather than argued.** 55.4939 is 1/0.018020, i.e. it encodes a molar mass of 18.0200 +g/mol. The molar mass of water is 18.015 g/mol — from the standard atomic weights, +2(1.008) + 15.999. So `0.018015` is the physical value and the forward constant was the +odd one. There is now one `molar_mass_h2o = 0.018015` and both old names are derived +from it, reciprocal by construction; both names are kept because plant `using`-declares +both. + +Note this is the **larger** of the two possible moves — unifying the other way would +have preserved more digits by adopting a molar mass water does not have. + +**Blast radius.** 3710 of 5184 golden cells, median relative move 9.4e-05, and **3377 +of the 3710 move by no more than 2x the constant's own 2.77e-04** — i.e. the bulk is +that constant propagating. The largest **absolute** move anywhere in the file is +1.6e-03. The 184 cells whose relative move exceeds 1e-03 are near-zero quantities: the +worst, 2.7e-02, is `profit` = 0.0088 at a 40 C five-layer point where benefit nearly +cancels cost. Recorded gradients: 60 of 100 cells, median 3.2e-04, worst 2.9e-03. +⚠️ That worst is the same order as the gradient file's own cross-platform disagreement +(~2.3e-03), so **off macOS/arm64 this change is not cleanly separable from noise in +that file.** + +Directionally: the forward constant rose 0.0277%, so conductance per unit transpiration +rose with it, and the leaf buys slightly more carbon for the same water. + +⚠️ **plant's `LinkingTo: phylloptim (>= 0.2.0)` floor is now three minor versions +stale**, and this is a results change it should be able to require. `>= 0.4.0`. + # phylloptim 0.3.0 ⚠️ **This section was headed `0.2.1` until now, and the renumbering is the point of diff --git a/R/fingerprint.R b/R/fingerprint.R index 3af5b8b..6881112 100644 --- a/R/fingerprint.R +++ b/R/fingerprint.R @@ -56,7 +56,7 @@ leaf_behaviour_fingerprint <- function() { # ⚠️ GENERATED. Regenerate with tools/fingerprint.R after regenerating a golden # file, and never by hand -- test-fingerprint.R recomputes it and fails on a # mismatch, which is the whole mechanism. - "7a0f1e194fc8" + "e4f5a6ebd157" } # The digest itself, in one place so the exported constant above, the regeneration diff --git a/inst/include/phylloptim/constants.hpp b/inst/include/phylloptim/constants.hpp index d99448c..f436653 100644 --- a/inst/include/phylloptim/constants.hpp +++ b/inst/include/phylloptim/constants.hpp @@ -56,12 +56,16 @@ inline constexpr double ko_ha = 36.38e3; // Leaf::umol_per_mol_to_Pa_, derived from atm_kpa_. The old `0.1013` was 101.3 // kPa hard-coded; don't reinstate it. -// mol H2o kg ^-1 -inline constexpr double kg_to_mol_h2o = 55.4939; -// kg mol^-1: molar mass of water, for converting molar water flux back to kg. -// (Intentionally distinct from 1/kg_to_mol_h2o, which it does not exactly equal; -// kept at the historical 0.018015 to preserve results.) -inline constexpr double kg_per_mol_h2o = 0.018015; +// The molar mass of water -- 18.015 g/mol, from the standard atomic weights -- and +// the ONE place it is written down. Both conversion directions derive from it, so +// they are reciprocal by construction; do not reintroduce a second literal (#51). +// +// Both names below are kept because plant `using`-declares both. +inline constexpr double molar_mass_h2o = 0.018015; // kg mol^-1 +// kg mol^-1, for converting a molar water flux back to kg. +inline constexpr double kg_per_mol_h2o = molar_mass_h2o; +// mol H2O kg^-1 -- the reciprocal, now genuinely so. +inline constexpr double kg_to_mol_h2o = 1.0 / molar_mass_h2o; // mol mol ^-1 / (umol mol ^-1) inline constexpr double umol_to_mol = 1e-6; // Pa kPa^-1 diff --git a/tests/cpp/golden/operating_points.tsv b/tests/cpp/golden/operating_points.tsv index 42556f5..ab0b052 100644 --- a/tests/cpp/golden/operating_points.tsv +++ b/tests/cpp/golden/operating_points.tsv @@ -1,244 +1,244 @@ psi_soil ppfd vpd leaf_temp layers psi_stem opt_root_psi ci assim transpiration gc profit e_up uptake -0.5 100 0.5 25 1 1.4064315157230904 1.1397291800324896 33.535719423557367 3.4216414573490117 7.9644452142332613e-06 0.053619621786311737 3.3030570555526007 7.9644455320981566e-06 0.00044210077891191545 -0.5 100 0.5 25 3 1.5954124971659924 1.4018117298270361 31.191249087006774 3.2939585898339492 5.6265869403364712e-06 0.037880286143406765 3.1008759409911346 5.6265870700498279e-06 0.00031232789731056498 -0.5 100 0.5 25 5 1.7452545545113272 1.5881353349338976 29.26221372465977 3.1770775521522618 4.4519911133823949e-06 0.029972468046986989 2.905100614955062 4.451991550411658e-06 0.00024712692480775232 -0.5 100 1 25 1 1.5932824843611659 1.2671223542432744 29.87940784684681 3.2157448245139046 9.5619590523274327e-06 0.032187340996817651 3.0236501713776431 9.5619591422393109e-06 0.00053077763764858787 -0.5 100 1 25 3 1.792089936227345 1.5523575254639304 26.688926403109683 3.0013314142961085 6.7853474838497329e-06 0.022840747596739566 2.7006930858511771 6.7853474843817958e-06 0.00037664987423712438 -0.5 100 1 25 5 1.9404992363787303 1.7453156059561366 24.229209988285525 2.8076762493713692 5.3575323613880689e-06 0.01803445508120111 2.402599334908301 5.3575325764326462e-06 0.00029739287129795425 -0.5 100 2 25 1 1.796754883224458 1.403064367266345 24.76324542098623 2.8521396964186105 1.126625405696789e-05 0.018962158230542696 2.5485370769014071 1.1266254107284797e-05 0.0006253818544149207 -0.5 100 2 25 3 1.9747505017184552 1.6895987603563816 20.87490954522567 2.4917019650291881 7.841403756284557e-06 0.013197815176578472 2.0594485162722274 7.8414043294004458e-06 0.00043527084814878967 -0.5 100 2 25 5 2.0812347115368217 1.8568575136921996 18.155583441976784 2.1776498358393592 5.9999663789796969e-06 0.010098504017471897 1.6531924903518349 5.9999667351424585e-06 0.00033305394033541266 -0.5 100 4 25 1 1.9478356888215438 1.5017496970624515 18.55403408854426 2.2275821156610927 1.2503146687341737e-05 0.010521982047725425 1.8167837670905356 1.2503147133216547e-05 0.00069404091774724098 -0.5 100 4 25 3 2.0130156381644104 1.7179877325704673 14.788296988437237 1.6880916255969911 8.059814529785612e-06 0.0067827104577008659 1.2240623501463697 8.0598148848335208e-06 0.00044739466471460014 -0.5 100 4 25 5 2.0063215670071219 1.7976840658200517 12.604399811198828 1.2879603966247419 5.6591721458135337e-06 0.0047624577406199832 0.82959875184286114 5.6591722813330827e-06 0.00031413667950780366 -0.5 500 0.5 25 1 2.4109901172055292 1.7891385804115763 26.953803399175321 13.962350236233943 1.610333535058437e-05 0.10841367198476014 13.074476999673436 1.6103335351217076e-05 0.00089388483770286298 -0.5 500 0.5 25 3 2.7164829891260012 2.2105108140029675 23.551280527047631 12.950185456809193 1.1846365343788535e-05 0.079754158913824924 11.617786198957639 1.1846366710650659e-05 0.00065758349767697244 -0.5 500 0.5 25 5 2.9416567539753897 2.491798670544096 21.156049380602155 12.089414780959574 9.6532721227129898e-06 0.064989435710500656 10.366287275475116 9.6532733143316015e-06 0.00053584642322129349 -0.5 500 1 25 1 2.7771547107039507 1.9960803050999467 20.778763228621415 11.939993582679428 1.8693644905798955e-05 0.062926302001880804 10.507323310430502 1.8693645986015434e-05 0.0010376711621435156 -0.5 500 1 25 3 3.0330102014283211 2.408646900778213 17.044362096260372 10.197210725095688 1.3367901976221861e-05 0.044998856088591353 8.3018317586369346 1.3367901981834845e-05 0.00074204285216957226 -0.5 500 1 25 5 3.1583294361732412 2.6343326757137708 14.723041592297534 8.7962094107029394 1.0472297472000246e-05 0.035251710230795992 6.6531341193001463 1.0472298027020679e-05 0.00058130990990955755 -0.5 500 2 25 1 2.9462904096973555 2.08444288084937 14.248433530867034 8.4712366920423126 1.9799051423878862e-05 0.033323653453567123 6.7395524994711717 1.9799052300281291e-05 0.0010990314904402603 -0.5 500 2 25 3 2.9225815548173113 2.3414998122240656 11.309881631845681 6.1265377221241764 1.2852392837171983e-05 0.021631777997125925 4.4384260644956592 1.2852394389878127e-05 0.00071342738772568011 -0.5 500 2 25 5 2.833110915061622 2.4173177253909621 9.7364229966751381 4.6386409369410035 9.2251134932392196e-06 0.015526727949591018 3.1101510785484425 9.225113757567589e-06 0.00051207958687580287 -0.5 500 4 25 1 2.6402150326898215 1.9210741314244792 9.5836913521964231 4.4863829806344899 1.7755015392816984e-05 0.014941674915279089 3.2745250391091312 1.7755016415853437e-05 0.00098556849380257764 -0.5 500 4 25 3 2.4363561900592154 2.0218974856044238 7.9399765537702125 2.7690999438141248 1.0396951317153062e-05 0.0087495202484438143 1.8482539356547472 1.0396952294769454e-05 0.00057712752121950894 -0.5 500 4 25 5 2.2867611239124748 2.016583635196457 7.1431380235951467 1.8887638024633771 6.919628565917434e-06 0.0058231907029630183 1.1519511946939383 6.9196289469185034e-06 0.00038410374393108541 -0.5 900 0.5 25 1 2.7197604410447243 1.9650087070302278 26.048188942300374 16.972876943369208 1.8304847057311835e-05 0.12323507157978875 15.635159184548733 1.830484847919428e-05 0.0010160892855506122 -0.5 900 0.5 25 3 3.0590453936785567 2.4241509568611108 22.789749720102598 15.426180066088714 1.3486909354637241e-05 0.090798914326079339 13.480384375876319 1.3486910990082833e-05 0.00074864895865017116 -0.5 900 0.5 25 5 3.2874061407846247 2.7150123329803346 20.561732192903506 14.127399787118728 1.0935682742199735e-05 0.073623103284576483 11.717131613072453 1.0935684088448875e-05 0.00060703214479316538 -0.5 900 1 25 1 3.0845830084812849 2.1529681238294742 19.972253675990459 13.746976173505795 2.06560046157449e-05 0.069531971488310168 11.751181815875075 2.0656005529640378e-05 0.0011466003624557523 -0.5 900 1 25 3 3.2552167071314595 2.5367564606412847 16.514782254357939 11.199702974192977 1.4351032161804206e-05 0.048308256009092082 8.8571004956490977 1.4351033237008381e-05 0.00079661577779674615 -0.5 900 1 25 5 3.3008316449749167 2.7232113254639776 14.362616300819996 9.3565169518213729 1.098276597094949e-05 0.036970042588621105 6.9178393586801432 1.0982766210598657e-05 0.00060964564033298121 -0.5 900 2 25 1 3.0506148929043242 2.1364568870268812 13.845359547567949 8.8865087986354592 2.0449544585256969e-05 0.034418494222430207 6.957100827264993 2.0449545713341124e-05 0.0011351399230275395 -0.5 900 2 25 3 2.9571261757000635 2.3627422523318611 11.11699827965273 6.2459967187747658 1.3015493666290375e-05 0.021906291931716535 4.4942259637785442 1.3015493821534184e-05 0.00072248092264969109 -0.5 900 2 25 5 2.8486017197938178 2.4280650238146269 9.6208634276353742 4.68754060377894 9.2869014270161226e-06 0.01563072281523949 3.1319705838605314 9.2869027021207833e-06 0.00051550944780021004 -0.5 900 4 25 1 2.6522498945103776 1.9277849481905887 9.4686138378274354 4.5246599673936974 1.7839005529437747e-05 0.015012356539018206 3.2941949963470192 1.7839006888533563e-05 0.00099023074596356168 -0.5 900 4 25 3 2.4404897779944061 2.0247605801731612 7.8817725565409198 2.7799994163068651 1.0418959521538034e-05 0.0087680411805925017 1.8537118747795378 1.0418960614863737e-05 0.00057834918761386273 -0.5 900 4 25 5 2.2889167997028221 2.0182367568797099 7.104156810751153 1.8936052214909869 6.9291447675929812e-06 0.0058311990312420112 1.1543186116999453 6.9291452468914118e-06 0.00038463198706030596 -0.5 1500 0.5 25 1 2.8799224461320598 2.0503524385318022 25.954225797283264 18.083941475864073 1.9372632441163029e-05 0.13042380185427585 16.472899690884802 1.9372633102666619e-05 0.0010753612602090823 -0.5 1500 0.5 25 3 3.1949269863757817 2.50295922490713 22.736487599463125 16.167837514687886 1.4091719930031557e-05 0.094870725159437785 13.950159453241458 1.4091721595786804e-05 0.00078222157067925639 -0.5 1500 0.5 25 5 3.3913677928808488 2.7775205859597065 20.515385285153553 14.625846867062355 1.1294588890250263e-05 0.076039393609589903 11.992938265924806 1.1294589877454459e-05 0.00062695475311987006 -0.5 1500 1 25 1 3.1648920581658251 2.1911568882113466 19.864151222823153 14.140651868278066 2.1133465216675257e-05 0.071139193093275113 11.984270231861233 2.1133465338826787e-05 0.0011731038211949369 -0.5 1500 1 25 3 3.2906228580384393 2.5562593578505401 16.437390000784326 11.353759436412837 1.4500651567003244e-05 0.048811902886110474 8.936694285509013 1.4500652644111865e-05 0.00080492104602341739 -0.5 1500 1 25 5 3.3195393624420411 2.7345742020498625 14.306787609941376 9.4325989070892042 1.1048013206765571e-05 0.037189676977015688 6.9541571676104059 1.1048013895288418e-05 0.00061326749349366739 -0.5 1500 2 25 1 3.0635838198654595 2.142785760963382 13.785500843577079 8.9413159149529715 2.0528683290124271e-05 0.034551692056978056 6.9866737482811869 2.0528685055245255e-05 0.0011395328923255762 -0.5 1500 2 25 3 2.9618081449919673 2.3656048925914694 11.084785084920597 6.263521857755423 1.3037472107710841e-05 0.021943283702163766 4.5030388889266248 1.3037472113595274e-05 0.0007237009222090077 -0.5 1500 2 25 5 2.8510249480242753 2.4297427398960521 9.5996738299495856 4.6956820147320624 9.2965467100300342e-06 0.015646956727750547 3.1358544373266803 9.2965480996742864e-06 0.000516044857045478 -0.5 1500 4 25 1 2.6541517578136062 1.9288433975318209 9.447498704538134 4.5311514478798411 1.7852252557266063e-05 0.015023504531798005 3.2977317198105887 1.7852253912286909e-05 0.00099096607895014766 -0.5 1500 4 25 3 2.4412643230160969 2.0252968123574266 7.8698230574428267 2.7821339340422857 1.0423081447688471e-05 0.0087715099740123901 1.8548246360396605 1.0423082556130596e-05 0.00057857799367918932 -0.5 1500 4 25 5 2.2893547977414896 2.0185725843241968 7.0957185814138484 1.8946193961025801 6.9310779545242972e-06 0.0058328258983575357 1.1548294759867161 6.9310784537894932e-06 0.00038473929801773483 -1 100 0.5 25 1 1.7067677422675593 1.4930281707158866 31.814968089542489 3.3293694751750693 6.1204428183868882e-06 0.041205108486422844 3.0794786166217971 6.1204430676414889e-06 0.00033974149695484258 -1 100 0.5 25 3 1.9086532952716075 1.7475302694978248 29.229694115283259 3.1750053074436546 4.4356538379267522e-06 0.029862479402783016 2.7941409877644112 4.4356542987663401e-06 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1.5621620535007706e-09 2.6299942333422758e-06 -4.0097830965281336 1.5626505833126274e-09 8.6741636597980988e-08 +4 500 2 40 3 4.1729334888883658 4.1729333291926638 22.623840452901941 4.3606405775165058e-07 1.510000983184767e-12 2.5421779188769322e-09 -4.3818313398012902 4.0159515427695062e-12 2.2292265016761069e-10 +4 500 2 40 5 4.3192648651884964 4.3192647263053008 22.623839998016244 3.37647437120836e-07 1.1692042524380496e-12 1.9684260250851239e-09 -4.696033013106315 3.1036885690132533e-12 1.7228357307872626e-10 +4 500 4 40 1 4.0051745686255105 4.0050287756412137 22.624880946249633 0.00022555016246306181 1.5621620535007706e-09 1.3149971166711379e-06 -4.0100086196274329 1.5626505833126274e-09 8.6741636597980988e-08 +4 500 4 40 3 4.1729334888883658 4.1729333291926638 22.623839445148931 2.180320426425908e-07 1.510000983184767e-12 1.2710889594384661e-09 -4.3818315578333049 4.0159515427695062e-12 2.2292265016761069e-10 +4 500 4 40 5 4.3192648651884964 4.3192647263053008 22.623839217706067 1.6882372788629141e-07 1.1692042524380496e-12 9.8421301254256194e-10 -4.6960331819300247 3.1036885690132533e-12 1.7228357307872626e-10 +4 900 0.5 40 1 4.3637602535176336 4.1563537240339157 28.933350664814022 1.3482522043860352 1.8326339686483953e-06 0.012341400198708823 -3.4409706470963415 1.8326360416094828e-06 0.00010172833980624384 +4 900 0.5 40 3 4.5145402328090105 4.3462058096435996 27.566809837864163 1.06809745726274 1.2922574571602242e-06 0.0087023741300300793 -4.0272506517198092 1.2922600695410419e-06 7.173244904474282e-05 +4 900 0.5 40 5 4.6383816577844357 4.4946593948753906 26.620147543312243 0.87114146017591176 9.793954930110406e-07 0.0065954860265825324 -4.4630623424257845 9.7939745654775056e-07 5.4365665087302274e-05 +4 900 1 40 1 4.1998502315828361 4.0913686526435002 24.97382425706234 0.52323038562806445 1.0475993747469715e-06 0.0035273937275114454 -3.9172009522394804 1.0475994653490604e-06 5.8151510704915924e-05 +4 900 1 40 3 4.2393486506215128 4.2093685503679952 23.248863427451575 0.15164235925887493 2.7234975612924419e-07 0.00091703455024646585 -4.3741584631394224 2.7235234690649764e-07 1.5118087532972393e-05 +4 900 1 40 5 4.3192648651884964 4.3192647263053008 22.554094925683799 6.7800540204387971e-07 1.1692042524380496e-12 3.9368520501702478e-09 -4.6960326727483501 3.1036885690132533e-12 1.7228357307872626e-10 +4 900 2 40 1 4.0051745686255105 4.0050287756412137 22.556159205459522 0.0004528845083595634 1.5621620535007706e-09 2.6299942333422758e-06 -4.0097812852815355 1.5626505833126274e-09 8.6741636597980988e-08 +4 900 2 40 3 4.1729334888883658 4.1729333291926638 22.554093829246511 4.3781438785472915e-07 1.510000983184767e-12 2.5421779188769322e-09 -4.3818313380509597 4.0159515427695062e-12 2.2292265016761069e-10 +4 900 2 40 5 4.3192648651884964 4.3192647263053008 22.55409337818557 3.3900273210818455e-07 1.1692042524380496e-12 1.9684260250851239e-09 -4.6960330117510196 3.1036885690132533e-12 1.7228357307872626e-10 +4 900 4 40 1 4.0051745686255105 4.0050287756412137 22.555125573713347 0.00022645567197399075 1.5621620535007706e-09 1.3149971166711379e-06 -4.010007714117922 1.5626505833126274e-09 8.6741636597980988e-08 +4 900 4 40 3 4.1729334888883658 4.1729333291926638 22.554092829966844 2.1890720658390705e-07 1.510000983184767e-12 1.2710889594384661e-09 -4.3818315569581419 4.0159515427695062e-12 2.2292265016761069e-10 +4 900 4 40 5 4.3192648651884964 4.3192647263053008 22.554092604436363 1.695013764901887e-07 1.1692042524380496e-12 9.8421301254256194e-10 -4.6960331812523757 3.1036885690132533e-12 1.7228357307872626e-10 +4 1500 0.5 40 1 4.3669626232335776 4.1575532969779854 28.924719298202675 1.3599588625501604 1.8471057971074764e-06 0.01243885699023185 -3.4359239953823155 1.8471081290030254e-06 0.00010253167521526647 +4 1500 0.5 40 3 4.5174222694942712 4.3475165314795214 27.556403076567619 1.0770537536459641 1.3020036019532416e-06 0.0087680070252742388 -4.0239884309631506 1.3020061384790789e-06 7.2273446487875593e-05 +4 1500 0.5 40 5 4.6410721487912978 4.4959967050906151 26.608943692200363 0.87849862078330743 9.868405569993324e-07 0.0066456228873830944 -4.4607575653303133 9.8684275749511258e-07 5.4778948514854987e-05 +4 1500 1 40 1 4.2014274340123121 4.0920275755626223 24.959175727740934 0.52772504027359757 1.0555694246202684e-06 0.0035542298488462939 -3.9161296230365346 1.0555694513665657e-06 5.859391903228231e-05 +4 1500 1 40 3 4.2404866513667763 4.2099814983739314 23.23424610311865 0.15432646832837671 2.7692876470328293e-07 0.00093245262562111617 -4.373922477173398 2.7693133054602887e-07 1.5372263699474266e-05 +4 1500 1 40 5 4.3192648651884964 4.3192647263053008 22.53013435120867 6.7893659005946461e-07 1.1692042524380496e-12 3.9368520501702478e-09 -4.6960326718171626 3.1036885690132533e-12 1.7228357307872626e-10 +4 1500 2 40 1 4.0051745686255105 4.0050287756412137 22.53219312373627 0.00045350672609911769 1.5621620535007706e-09 2.6299942333422758e-06 -4.0097806630637969 1.5626505833126274e-09 8.6741636597980988e-08 +4 1500 2 40 3 4.1729334888883658 4.1729333291926638 22.530133257696423 4.3841568819757981e-07 1.510000983184767e-12 2.5421779188769322e-09 -4.3818313374496594 4.0159515427695062e-12 2.2292265016761069e-10 +4 1500 2 40 5 4.3192648651884964 4.3192647263053008 22.530132807838818 3.3946832544984318e-07 1.1692042524380496e-12 1.9684260250851239e-09 -4.6960330112854267 3.1036885690132533e-12 1.7228357307872626e-10 +4 1500 4 40 1 4.0051745686255105 4.0050287756412137 22.531162249644908 0.00022676674504662486 1.5621620535007706e-09 1.3149971166711379e-06 -4.0100074030448489 1.5626505833126274e-09 8.6741636597980988e-08 +4 1500 4 40 3 4.1729334888883658 4.1729333291926638 22.530132261082635 2.1920786075213528e-07 1.510000983184767e-12 1.2710889594384661e-09 -4.3818315566574872 4.0159515427695062e-12 2.2292265016761069e-10 +4 1500 4 40 5 4.3192648651884964 4.3192647263053008 22.530132036153802 1.6973417027443816e-07 1.1692042524380496e-12 9.8421301254256194e-10 -4.6960331810195814 3.1036885690132533e-12 1.7228357307872626e-10 6 100 0.5 40 1 5.8702829999999997 5.8702829999999997 8.9954794232730979 -3.1707025955141233 0 0 -10.115293908969731 0 0 6 100 0.5 40 3 5.8702829999999997 5.8702829999999997 8.9954794232730979 -3.1707025955141233 0 0 -10.115293908969731 0 0 6 100 0.5 40 5 5.8702829999999997 5.8702829999999997 8.9954794232730979 -3.1707025955141233 0 0 -10.115293908969731 0 0 diff --git a/tests/cpp/test_leaf.cpp b/tests/cpp/test_leaf.cpp index 4d4ff3c..3f6c27c 100644 --- a/tests/cpp/test_leaf.cpp +++ b/tests/cpp/test_leaf.cpp @@ -274,15 +274,12 @@ void test_solve_single_layer() { ok(l.opt_psi_stem_ <= l.psi_crit, "stem stays within psi_crit"); ok(l.transpiration_ > 0.0, "transpiration is positive"); ok(l.assim_colimited_ > 0.0, "assimilation is positive"); - // Regression guards -- see the note at the top of this file. Moved by PLAN 11a - // (the collar root-find): opt_psi_stem_ 3.595247 -> 3.595088 and - // assim_colimited_ 5.599511 -> 5.599153, both ~1e-4 relative, which is the - // argmax correction and not rounding. profit_ and transpiration_ did not move at - // this tolerance -- profit_ because it is the maximum and therefore flat. - near(l.opt_psi_stem_, 3.595088, 1e-5, "opt_psi_stem_"); - near(l.assim_colimited_, 5.599153, 1e-5, "assim_colimited_"); + // Regression guards -- see the note at the top of this file. Regenerate these + // deliberately, alongside the golden file, and state the movement in the PR. + near(l.opt_psi_stem_, 3.595332, 1e-5, "opt_psi_stem_"); + near(l.assim_colimited_, 5.601016, 1e-5, "assim_colimited_"); near(l.transpiration_, 1.141941e-05, 1e-5, "transpiration_"); - near(l.profit_, 2.515843, 1e-5, "profit_"); + near(l.profit_, 2.517157, 1e-5, "profit_"); } void test_solve_is_deterministic() { @@ -2477,6 +2474,35 @@ bool mentions(const std::string& haystack, const char* needle) { // before, which is exactly why the accumulating `psi += step` loop could drop its // last knot for years: the shortfall is invisible from outside unless the domain // edge is compared with the function that is supposed to define it. +// The kg <-> mol water conversions are reciprocal, and the round trip is the +// identity (#51). Asserted rather than documented: the demand side converts +// transpiration kg -> mol and the supply side converts uptake mol -> kg, so a +// second literal anywhere breaks the round trip silently. +void test_water_mass_conversions_are_reciprocal() { + printf("kg <-> mol water conversions\n"); + // Exact to the last bit in one direction: kg_to_mol_h2o IS 1/molar_mass_h2o. + ok(phylloptim::kg_to_mol_h2o == 1.0 / phylloptim::molar_mass_h2o, + "kg_to_mol_h2o is exactly the reciprocal of the molar mass"); + ok(phylloptim::kg_per_mol_h2o == phylloptim::molar_mass_h2o, + "kg_per_mol_h2o IS the molar mass, not a second copy of it"); + + // The round trip cannot be bit-exact -- 1/x then *x is not the identity for most + // x -- so the claim is that it is within one rounding, which is what "reciprocal" + // can actually buy. + for (double kg : {1e-9, 1e-6, 1e-3, 1.0, 1e3}) { + const double round_trip = kg * phylloptim::kg_to_mol_h2o * + phylloptim::kg_per_mol_h2o; + near(round_trip, kg, 4.0 * std::numeric_limits::epsilon(), + "kg -> mol -> kg returns the input at " + + phylloptim::util::format_double(kg)); + } + + // The value is water's molar mass, not a neighbouring one: 18.015 g/mol from the + // standard atomic weights, 2(1.008) + 15.999. + near(phylloptim::molar_mass_h2o * 1000.0, 18.015, 1e-9, + "the molar mass is water's, in g/mol"); +} + void test_knot_grid_reaches_its_intended_domain() { printf("vulnerability knot grid\n"); const double resolutions[] = {10.0, 50.0, 100.0, 200.0, 1000.0}; @@ -2753,6 +2779,7 @@ int main() { test_rd_temperature_response(); test_set_traits_matches_a_fresh_leaf(); test_perturb_stem_b_matches_a_rebuild(); + test_water_mass_conversions_are_reciprocal(); test_knot_grid_reaches_its_intended_domain(); test_psi_crit_must_lie_on_the_stem_curve(); test_bad_input_throws(); diff --git a/tests/testthat/gradient_golden.tsv b/tests/testthat/gradient_golden.tsv index 85adb38..2d0e147 100644 --- a/tests/testthat/gradient_golden.tsv +++ b/tests/testthat/gradient_golden.tsv @@ -1,21 +1,21 @@ case status method par A gc psi_stem collar profit -interior-1layer interior ift vcmax_25 0x1.571229588ededp-6 0x1.6274af94ca893p-15 0x1.2fe5c0bf310c1p-8 0x1.08c4016e43038p-9 0x1.591e0f15776abp-7 -interior-1layer interior ift stem_b 0x1.6c586ae568a17p+1 0x1.7ab1f9ae0843ep-7 0x1.d9c2e95fe3f7cp-1 0x1.1addc91ff05dbp-1 0x1.6b78ea6c0d439p+1 +interior-1layer interior ift vcmax_25 0x1.5742aa6ad7d32p-6 0x1.62a615f54152fp-15 0x1.3003d5c21e4b1p-8 0x1.08d62b83300b3p-9 0x1.5954ec29d4cp-7 +interior-1layer interior ift stem_b 0x1.6c6c7c8877101p+1 0x1.7ac8432c9d409p-7 0x1.d9bcceaf52aeap-1 0x1.1ada6a89a0ec3p-1 0x1.6b8e90b9a0c1cp+1 interior-1layer interior ift psi_crit 0x0p+0 0x0p+0 0x0p+0 0x0p+0 0x0p+0 -interior-1layer interior ift R_d_25 -0x1.fd6884dd6bb5cp-3 -0x1.90de3942ae2a2p-12 -0x1.57b08cc4acd79p-5 -0x1.2b6f157edb205p-6 -0x1.3c91bb0a2328ep-3 -interior-5layer interior ift vcmax_25 0x1.a789fd290384bp-5 0x1.f668e2e574766p-16 0x1.4bbb5925eeea1p-10 0x1.961814391f031p-11 0x1.91a4ee5773855p-5 -interior-5layer interior ift stem_b 0x1.bf615f4829058p+0 0x1.40cec78139b5ep-6 0x1.35865420dbf08p-1 0x1.03506a08d48c9p-1 0x1.203ce9b98f8e7p+1 +interior-1layer interior ift R_d_25 -0x1.fcec636d56075p-3 -0x1.912c0a4abe49ep-12 -0x1.57e562b17f1e2p-5 -0x1.2b94044bbc887p-6 -0x1.3bf335f656c8ep-3 +interior-5layer interior ift vcmax_25 0x1.a77e1ddad01e8p-5 0x1.f51cbe1b84e8dp-16 0x1.4ac52a921e5abp-10 0x1.94eed311eb80fp-11 0x1.91a97f341e955p-5 +interior-5layer interior ift stem_b 0x1.bf48d3044754fp+0 0x1.40da06518e92p-6 0x1.35781a72a23a4p-1 0x1.0347106fb9fcfp-1 0x1.20357c9c37cb5p+1 interior-5layer interior ift psi_crit 0x0p+0 0x0p+0 0x0p+0 0x0p+0 0x0p+0 -interior-5layer interior ift R_d_25 -0x1.53043be8d0403p-1 -0x1.75c8e3d032936p-10 -0x1.ed9b34369212dp-5 -0x1.2e209f6d45bf7p-5 -0x1.11dbf1760390ep-1 -pinned-dry-3layer pinned fd vcmax_25 0x1.1f8090c546755p-6 0x0p+0 0x0p+0 0x0p+0 0x1.1f8090c546755p-6 -pinned-dry-3layer pinned fd stem_b 0x1.2ccb4c90dc4dbp+2 0x1.64b64bc0c6a94p-6 0x1.33f595ef01ba9p-14 0x1.c3ef65a37fee1p-2 0x1.750f765efe97fp+2 -pinned-dry-3layer pinned fd psi_crit 0x1.41dadea706331p+0 0x1.7db02a6101999p-8 0x1.fff9999abeb8dp-1 0x1.e3a34a3631684p-4 0x1.03cb5d5f9853p-1 -pinned-dry-3layer pinned fd R_d_25 -0x1.b3f6e5271da55p-3 0x0p+0 0x0p+0 0x0p+0 -0x1.b3f6e5271da55p-3 +interior-5layer interior ift R_d_25 -0x1.531149ca8ab8ep-1 -0x1.75e758dd400cep-10 -0x1.ed9b5240ae8a8p-5 -0x1.2e23c35b13ce1p-5 -0x1.11e98c668492bp-1 +pinned-dry-3layer pinned fd vcmax_25 0x1.1f9eedc33dcp-6 0x0p+0 0x0p+0 0x0p+0 0x1.1f9eedc33dcp-6 +pinned-dry-3layer pinned fd stem_b 0x1.2cd6979a2aa6ep+2 0x1.64cfa2445b358p-6 0x1.33f595ef01ba9p-14 0x1.c3ef65a37fee1p-2 0x1.751ac1684cf12p+2 +pinned-dry-3layer pinned fd psi_crit 0x1.41e6f42449bap+0 0x1.7dcb470fa08b6p-8 0x1.fff9999abeb8dp-1 0x1.e3a34a3631684p-4 0x1.03e3885a1f60ep-1 +pinned-dry-3layer pinned fd R_d_25 -0x1.b4147d1197572p-3 0x0p+0 0x0p+0 0x0p+0 -0x1.b4147d1197572p-3 shutdown-1layer no-gradient fd vcmax_25 0x0p+0 0x0p+0 0x0p+0 0x0p+0 0x0p+0 shutdown-1layer no-gradient fd stem_b 0x0p+0 0x0p+0 0x0p+0 0x0p+0 0x1.21143bf2a3122p+0 shutdown-1layer no-gradient fd psi_crit 0x0p+0 0x0p+0 0x1.000000001aa4dp+0 0x1.000000001aa4dp+0 -0x1.7fef216dfc87fp-1 shutdown-1layer no-gradient fd R_d_25 -0x1.ffffffff73c8bp-1 0x0p+0 0x0p+0 0x0p+0 -0x1.00000000636f2p+0 -single-potential interior ift vcmax_25 0x1.8dbb95cac64fap-11 0x1.8665f5bea96b1p-20 0x1.0f2ea751e24e4p-11 0x1.f6f5831665267p-12 0x1.222aee3811555p-12 -single-potential interior ift leaf_specific_conductance_max 0x1.61e2e114d937p+11 0x1.116a88c064603p+3 0x1.c71412d33b7c3p+10 0x1.603f57582040fp+11 0x1.1bcb9e3c8e01bp+10 -single-potential interior ift resistance -0x1.f8de901a39b04p-14 -0x1.861138f9d9d54p-22 -0x1.34162db351084p-14 -0x1.0ed249fcfd7b3p-14 -0x1.b3ad2cf0f8p-15 -single-potential interior ift R_d_25 -0x1.090f45bc0130ep-5 -0x1.d8fdb5440484dp-15 -0x1.488dba9fc5d62p-6 -0x1.30aebe3bf1fe9p-6 -0x1.c00a35719fe39p-7 +single-potential interior ift vcmax_25 0x1.8e07cb5a9f0c2p-11 0x1.86ae3a8afb4a7p-20 0x1.0f4e264137321p-11 0x1.f72ed78c076bbp-12 0x1.22681d3500aabp-12 +single-potential interior ift leaf_specific_conductance_max 0x1.6216b907e4b84p+11 0x1.1193d5fc2142bp+3 0x1.c7319406e34f1p+10 0x1.605b83227f441p+11 0x1.1bfc831d2a5f4p+10 +single-potential interior ift resistance -0x1.f91de4957db12p-14 -0x1.8643ee01d2cdcp-22 -0x1.3420e0ff4abb9p-14 -0x1.0eda0565667bep-14 -0x1.b3f2ee785p-15 +single-potential interior ift R_d_25 -0x1.0932b4a21b5c2p-5 -0x1.d9341bd95573bp-15 -0x1.489cdcc0e300cp-6 -0x1.30bc1ea850aafp-6 -0x1.c05451eef4472p-7 diff --git a/tests/testthat/test-golden.R b/tests/testthat/test-golden.R index 7dccb63..324ddee 100644 --- a/tests/testthat/test-golden.R +++ b/tests/testthat/test-golden.R @@ -62,29 +62,29 @@ golden_rows <- list( list( inputs = list(psi_soil = 0.5, ppfd = 1500, vpd = 0.5, layers = 1L), expected = list( - psi_stem = "0x1.70a14c7893a68p+1", - opt_root_psi = "0x1.0671f2de624bep+1", - ci = "0x1.9f448245054c6p+4", - assim = "0x1.2157d30459d3ap+4", - transpiration = "0x1.4504d2a133518p-16", - gc = "0x1.0b1ba25cac3c1p-3", - profit = "0x1.0790ff442a384p+4", - e_up = "0x1.4504d35b65acfp-16", - uptake = "0x1.19e645c6a3929p-10" + psi_stem = "0x1.709c081328cc2p+1", + opt_root_psi = "0x1.066f367df1809p+1", + ci = "0x1.9f4d94a46507cp+4", + assim = "0x1.215cb3277c68cp+4", + transpiration = "0x1.450056425b687p-16", + gc = "0x1.0b2aeb7aea326p-3", + profit = "0x1.07970c77e0c6cp+4", + e_up = "0x1.450056ffb743bp-16", + uptake = "0x1.19e261c46cdc1p-10" ) ), list( inputs = list(psi_soil = 2.0, ppfd = 900, vpd = 2.0, layers = 3L), expected = list( - psi_stem = "0x1.b1b38a3125b53p+1", - opt_root_psi = "0x1.8211ae5c473bap+1", - ci = "0x1.0ddbcc40f5572p+3", - assim = "0x1.b2abf3fc8af1bp+1", - transpiration = "0x1.b282b1733fcb7p-18", - gc = "0x1.651739b6d3cecp-7", - profit = "0x1.8a0d7bc52574p-1", - e_up = "0x1.b282b4820ff91p-18", - uptake = "0x1.78dd817d62314p-12" + psi_stem = "0x1.b1bde83d4fd06p+1", + opt_root_psi = "0x1.8217d4b43c8dap+1", + ci = "0x1.0de738d727e36p+3", + assim = "0x1.b2de91f13cc6bp+1", + transpiration = "0x1.b29b56450f3c6p-18", + gc = "0x1.6544d94906decp-7", + profit = "0x1.8a7e0f7ece124p-1", + e_up = "0x1.b29b597525db4p-18", + uptake = "0x1.78f2e172d2649p-12" ) ), list( @@ -92,11 +92,11 @@ golden_rows <- list( expected = list( psi_stem = "0x1.77b2b5b35503dp+2", opt_root_psi = "0x1.37e82d8840f02p+2", - ci = "0x1.0bcf9df50cef4p+3", - assim = "0x1.9d87d266adc85p+1", + ci = "0x1.0bd5e8671ee81p+3", + assim = "0x1.9da29ffb2c45dp+1", transpiration = "0x1.9c8a7e611d793p-19", - gc = "0x1.5309210f0cc77p-7", - profit = "-0x1.db608932666c9p+1", + gc = "0x1.532136245deedp-7", + profit = "-0x1.db45bb9de7ef1p+1", e_up = "0x1.9c8a84340bf42p-19", uptake = "0x1.65cf766e154f5p-13" ) diff --git a/tests/testthat/test-gradient.R b/tests/testthat/test-gradient.R index 940ed44..1dddbeb 100644 --- a/tests/testthat/test-gradient.R +++ b/tests/testthat/test-gradient.R @@ -93,7 +93,7 @@ test_that("the composite reproduces the arbitrated reference gradients", { g <- grid_gradient(2.0, pars = rownames(ref)) expect_identical(g$status, "interior") expect_identical(g$method, "ift") - expect_equal(g$H, -8.9561, tolerance = 1e-4) + expect_equal(g$H, -8.9578, tolerance = 1e-4) expect_equal(g$gradient[rownames(ref), "collar"], ref[, "collar"], tolerance = 5e-3) @@ -561,16 +561,26 @@ test_that("profit's gradient is the direct term alone at an interior optimum", { # this a test rather than a formality. The assignment only matters where the term # it removes is big enough to see, and that term is NOISE rather than an h^2 # truncation: `profit` is the maximum, so it is flat, and a central difference - # of it divides the solve's ~1e-9 floor by a ~1e-6 step. `?leaf_gradient` has - # the distribution over the golden grid's 136 interior rows; what matters here - # is that `psi_soil = 0.5, vpd = 2, 3 layers` is the WORST of them at 8.0e-05, - # so a tolerance three orders inside that fails if the assignment is removed. - # At the suite's usual `grid_drivers(2.0)` the same term is 2.9e-10 and this - # test would pass either way, which is the version of it written first. + # of it divides the solve's ~1e-9 floor by a ~1e-6 step. So the point has to be + # one where that noise is LARGE; at the suite's usual `grid_drivers(2.0)` the same + # term is ~1e-10 and this test would pass either way, which is the version of it + # written first. + # + # ⚠️ THE POINT DOES NOT SURVIVE A RESULTS CHANGE, so RE-DERIVE IT rather than + # adjusting the bounds whenever this fails on the `fd` assertion: sweep the golden + # grid's interior rows and take the largest |fd|. + # + # for each (psi_soil, ppfd, vpd, layers) in the golden grid: + # g <- leaf_gradient(..., pars = "vcmax_25"); keep if g$status == "interior" + # solve, then fd <- central difference of profit_ in the collar at psi* + # pick argmax |fd| + # + # A failure saying `abs(fd) <= 1e-5` means the point went quiet, NOT that the + # feature broke. A failure on `abs(exact)` is the real signal. # # ⚠️ Those figures are macOS/arm64's, and the second half of this test says why # that matters. Read it before adding an assertion on a magnitude here. - d <- grid_drivers(0.5, vpd = 2.0, layers = 3L) + d <- grid_drivers(1.0, ppfd = 1500, vpd = 1.0, layers = 1L) g <- do.call(leaf_gradient, c(d, list(pars = "vcmax_25"))) expect_identical(g$status, "interior") @@ -625,17 +635,12 @@ test_that("profit's gradient is the direct term alone at an interior optimum", { # between "the dropped term is small" and "the dropped term is unmeasurable by # the route that would have supplied it". # - # ⚠️ THE BOUND ON `exact` IS THE SOLVER FLOOR, NOT 1e-12, and it was 1e-12 here - # for one commit's worth of luck. #92's knot grid moved where the collar - # root-find lands inside its own tolerance, and `exact` went from 2.4e-15 to - # 1.2e-10 on this platform without anything about the answer changing -- which is - # precisely the mechanism the note above describes for Linux, arriving on macOS. - # 1e-12 was pinning a landing point, and this package's own guide names ~1e-9 as - # the floor, so that is what the bound should have been all along. + # ⚠️ THE BOUND ON `exact` IS THE SOLVER FLOOR (~1e-9), not a landing point. Pinning + # it tighter pins which side of its own tolerance the collar root-find lands on, + # which moves for reasons unrelated to this feature. # - # What carries the test is the GAP, not either bound: measured here, `exact` - # 1.2e-10 against `fd` 2.1e-04 is a factor of 1.7e+06. Both bounds sit three or - # more orders inside that, so removing the assignment still fails this. + # What carries the test is the GAP, not either bound: `exact` 7.8e-16 against `fd` + # 2.7e-04 is a factor of 3.5e+11, so both bounds sit orders inside it. expect_lt(abs(exact), 1e-9) expect_gt(abs(fd), 1e-5) }) diff --git a/tests/testthat/test-surface.R b/tests/testthat/test-surface.R index afe990c..6fc9e69 100644 --- a/tests/testthat/test-surface.R +++ b/tests/testthat/test-surface.R @@ -94,13 +94,9 @@ test_that("a non-default trait reaches the model through leaf_model()", { traits = leaf_traits(vcmax_25 = 150)) expect_gt(hi_vcmax$A, base$A) - # ⚠️ `psi_crit` MOVES WITH `stem_b` HERE, and it has to. This case used to pass - # `stem_b = 2.0` alone, leaving the default `psi_crit` of 5.870283 -- which at - # that stem_b is past the curve's own P99 of 3.5359, i.e. a combination the model - # cannot evaluate. It went unnoticed because nothing here solved: the constructor - # did not check it and `proportion_of_conductivity` is a closed form that never - # reads the spline. #38's check refuses it now, so the trait pair moves together, - # and 3.0 is roughly the P95 that stem_b implies (3.0118). + # ⚠️ `psi_crit` MOVES WITH `stem_b`, and it has to: at stem_b = 2.0 the curve's P99 + # is 3.5359, so the default psi_crit of 5.870283 is off the end of it and #38's + # check refuses the pair. 3.0 is roughly the P95 that stem_b implies (3.0118). brittle <- leaf_model(leaf_traits(stem_b = 2.0, psi_crit = 3.0)) expect_lt(brittle$proportion_of_conductivity(2.0), leaf_model()$proportion_of_conductivity(2.0))