diff-grok 1.1.0 → 1.2.0

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Files changed (231) hide show
  1. package/.claude/skills/license-updater/SKILL.md +149 -0
  2. package/.claude/skills/license-updater/references/compatibility.md +68 -0
  3. package/.claude/skills/license-updater/references/templates.md +151 -0
  4. package/.claude/skills/license-updater/scripts/generate_license_files.py +467 -0
  5. package/CLAUDE.md +10 -4
  6. package/LICENSE +1 -1
  7. package/README.MD +41 -23
  8. package/THIRD_PARTY_LICENSES +135 -0
  9. package/docs/.nojekyll +1 -0
  10. package/docs/assets/hierarchy.js +1 -0
  11. package/docs/assets/highlight.css +99 -0
  12. package/docs/assets/icons.js +18 -0
  13. package/docs/assets/icons.svg +1 -0
  14. package/docs/assets/main.js +60 -0
  15. package/docs/assets/navigation.js +1 -0
  16. package/docs/assets/search.js +1 -0
  17. package/docs/assets/style.css +1633 -0
  18. package/docs/classes/BasicModelPipelineCreator.html +10 -0
  19. package/docs/classes/Callback.html +7 -0
  20. package/docs/classes/CyclicModelPipelineCreator.html +10 -0
  21. package/docs/classes/IterCheckerCallback.html +8 -0
  22. package/docs/classes/PipelineCreator.html +6 -0
  23. package/docs/classes/TimeCheckerCallback.html +8 -0
  24. package/docs/classes/UpdatesModelPipelineCreator.html +10 -0
  25. package/docs/functions/ab4.html +8 -0
  26. package/docs/functions/ab5.html +8 -0
  27. package/docs/functions/applyPipeline.html +9 -0
  28. package/docs/functions/getCallback.html +3 -0
  29. package/docs/functions/getIVP.html +6 -0
  30. package/docs/functions/getInputVector.html +2 -0
  31. package/docs/functions/getIvp2WebWorker.html +6 -0
  32. package/docs/functions/getJScode.html +6 -0
  33. package/docs/functions/getOutputNames.html +4 -0
  34. package/docs/functions/getPipelineCreator.html +7 -0
  35. package/docs/functions/lsoda.html +8 -0
  36. package/docs/functions/mrt.html +11 -0
  37. package/docs/functions/printE5.html +76 -0
  38. package/docs/functions/printHires.html +76 -0
  39. package/docs/functions/printOrego.html +66 -0
  40. package/docs/functions/printPollution.html +163 -0
  41. package/docs/functions/printRobertson.html +60 -0
  42. package/docs/functions/printVdpol.html +66 -0
  43. package/docs/functions/rk3.html +8 -0
  44. package/docs/functions/rk4.html +8 -0
  45. package/docs/functions/rkdp.html +8 -0
  46. package/docs/functions/ros34prw.html +8 -0
  47. package/docs/functions/ros3prw.html +8 -0
  48. package/docs/functions/solveIvp.html +5 -0
  49. package/docs/hierarchy.html +1 -0
  50. package/docs/index.html +768 -0
  51. package/docs/media/CONTRIBUTING.md +74 -0
  52. package/docs/media/E5.png +0 -0
  53. package/docs/media/HIRES.png +0 -0
  54. package/docs/media/OREGO.png +0 -0
  55. package/docs/media/POLL-full.png +0 -0
  56. package/docs/media/POLL.png +0 -0
  57. package/docs/media/ROBER.png +0 -0
  58. package/docs/media/VDP0L.png +0 -0
  59. package/docs/media/VDPOL.png +0 -0
  60. package/docs/media/acid-prod.gif +0 -0
  61. package/docs/media/basic-use.js +40 -0
  62. package/docs/media/basic-use.js.map +1 -0
  63. package/docs/media/basic-use.ts +44 -0
  64. package/docs/media/check-methods.js +59 -0
  65. package/docs/media/check-methods.js.map +1 -0
  66. package/docs/media/check-methods.ts +81 -0
  67. package/docs/media/corr-probs.js +132 -0
  68. package/docs/media/corr-probs.js.map +1 -0
  69. package/docs/media/corr-probs.ts +155 -0
  70. package/docs/media/cyclic-model.js +102 -0
  71. package/docs/media/cyclic-model.js.map +1 -0
  72. package/docs/media/cyclic-model.ts +112 -0
  73. package/docs/media/e5.js +36 -0
  74. package/docs/media/e5.js.map +1 -0
  75. package/docs/media/e5.ts +36 -0
  76. package/docs/media/hires.js +39 -0
  77. package/docs/media/hires.js.map +1 -0
  78. package/docs/media/hires.ts +40 -0
  79. package/docs/media/model-updates.js +112 -0
  80. package/docs/media/model-updates.js.map +1 -0
  81. package/docs/media/model-updates.ts +122 -0
  82. package/docs/media/orego.js +24 -0
  83. package/docs/media/orego.js.map +1 -0
  84. package/docs/media/orego.ts +25 -0
  85. package/docs/media/pipeline-use.js +87 -0
  86. package/docs/media/pipeline-use.js.map +1 -0
  87. package/docs/media/pipeline-use.ts +98 -0
  88. package/docs/media/pollution.js +132 -0
  89. package/docs/media/pollution.js.map +1 -0
  90. package/docs/media/pollution.ts +133 -0
  91. package/docs/media/print-benchmark.js +581 -0
  92. package/docs/media/print-benchmark.js.map +1 -0
  93. package/docs/media/print-benchmark.ts +594 -0
  94. package/docs/media/robertson.js +19 -0
  95. package/docs/media/robertson.js.map +1 -0
  96. package/docs/media/robertson.ts +19 -0
  97. package/docs/media/scripting.js +30 -0
  98. package/docs/media/scripting.js.map +1 -0
  99. package/docs/media/scripting.ts +35 -0
  100. package/docs/media/vdpol.js +17 -0
  101. package/docs/media/vdpol.js.map +1 -0
  102. package/docs/media/vdpol.ts +17 -0
  103. package/docs/modules.html +1 -0
  104. package/docs/types/Arg.html +12 -0
  105. package/docs/types/DifEqs.html +8 -0
  106. package/docs/types/Func.html +7 -0
  107. package/docs/types/IVP.html +40 -0
  108. package/docs/types/IVP2WebWorker.html +12 -0
  109. package/docs/types/Input.html +8 -0
  110. package/docs/types/Loop.html +7 -0
  111. package/docs/types/ODEs.html +31 -0
  112. package/docs/types/Output.html +6 -0
  113. package/docs/types/Pipeline.html +6 -0
  114. package/docs/types/SolverOptions.html +8 -0
  115. package/docs/types/Update.html +9 -0
  116. package/docs/types/Wrapper.html +8 -0
  117. package/index.js +1 -1
  118. package/index.js.map +1 -1
  119. package/index.ts +1 -1
  120. package/package.json +4 -2
  121. package/src/examples/check-methods.js +15 -3
  122. package/src/examples/check-methods.js.map +1 -1
  123. package/src/examples/check-methods.ts +18 -3
  124. package/src/solver-tools/cvode/common.js +487 -0
  125. package/src/solver-tools/cvode/common.js.map +1 -0
  126. package/src/solver-tools/cvode/common.ts +549 -0
  127. package/src/solver-tools/cvode/cvode.js +1062 -0
  128. package/src/solver-tools/cvode/cvode.js.map +1 -0
  129. package/src/solver-tools/cvode/cvode.ts +1226 -0
  130. package/src/solver-tools/cvode/cvode_adams.js +124 -0
  131. package/src/solver-tools/cvode/cvode_adams.js.map +1 -0
  132. package/src/solver-tools/cvode/cvode_adams.ts +142 -0
  133. package/src/solver-tools/cvode/cvode_bdf.js +153 -0
  134. package/src/solver-tools/cvode/cvode_bdf.js.map +1 -0
  135. package/src/solver-tools/cvode/cvode_bdf.ts +164 -0
  136. package/src/solver-tools/cvode/cvode_class.js +158 -0
  137. package/src/solver-tools/cvode/cvode_class.js.map +1 -0
  138. package/src/solver-tools/cvode/cvode_class.ts +271 -0
  139. package/src/solver-tools/cvode/cvode_hin.js +119 -0
  140. package/src/solver-tools/cvode/cvode_hin.js.map +1 -0
  141. package/src/solver-tools/cvode/cvode_hin.ts +150 -0
  142. package/src/solver-tools/cvode/cvode_io.js +203 -0
  143. package/src/solver-tools/cvode/cvode_io.js.map +1 -0
  144. package/src/solver-tools/cvode/cvode_io.ts +258 -0
  145. package/src/solver-tools/cvode/cvode_ls.js +210 -0
  146. package/src/solver-tools/cvode/cvode_ls.js.map +1 -0
  147. package/src/solver-tools/cvode/cvode_ls.ts +249 -0
  148. package/src/solver-tools/cvode/cvode_nls.js +220 -0
  149. package/src/solver-tools/cvode/cvode_nls.js.map +1 -0
  150. package/src/solver-tools/cvode/cvode_nls.ts +259 -0
  151. package/src/solver-tools/cvode/cvode_root.js +415 -0
  152. package/src/solver-tools/cvode/cvode_root.js.map +1 -0
  153. package/src/solver-tools/cvode/cvode_root.ts +503 -0
  154. package/src/solver-tools/cvode/dense_linalg.js +131 -0
  155. package/src/solver-tools/cvode/dense_linalg.js.map +1 -0
  156. package/src/solver-tools/cvode/dense_linalg.ts +144 -0
  157. package/src/solver-tools/cvode/index.js +26 -0
  158. package/src/solver-tools/cvode/index.js.map +1 -0
  159. package/src/solver-tools/cvode/index.ts +64 -0
  160. package/src/solver-tools/cvode-method.js +114 -0
  161. package/src/solver-tools/cvode-method.js.map +1 -0
  162. package/src/solver-tools/cvode-method.ts +129 -0
  163. package/src/solver-tools/index.js +1 -0
  164. package/src/solver-tools/index.js.map +1 -1
  165. package/src/solver-tools/index.ts +1 -0
  166. package/src/solver-tools/lsoda/blas.js +11 -0
  167. package/src/solver-tools/lsoda/blas.js.map +1 -1
  168. package/src/solver-tools/lsoda/blas.ts +12 -0
  169. package/src/solver-tools/lsoda/cfode.js +11 -0
  170. package/src/solver-tools/lsoda/cfode.js.map +1 -1
  171. package/src/solver-tools/lsoda/cfode.ts +12 -0
  172. package/src/solver-tools/lsoda/corfailure.js +11 -0
  173. package/src/solver-tools/lsoda/corfailure.js.map +1 -1
  174. package/src/solver-tools/lsoda/corfailure.ts +12 -0
  175. package/src/solver-tools/lsoda/correction.js +11 -0
  176. package/src/solver-tools/lsoda/correction.js.map +1 -1
  177. package/src/solver-tools/lsoda/correction.ts +12 -0
  178. package/src/solver-tools/lsoda/dense.js +11 -0
  179. package/src/solver-tools/lsoda/dense.js.map +1 -1
  180. package/src/solver-tools/lsoda/dense.ts +12 -0
  181. package/src/solver-tools/lsoda/index.js +11 -0
  182. package/src/solver-tools/lsoda/index.js.map +1 -1
  183. package/src/solver-tools/lsoda/index.ts +12 -0
  184. package/src/solver-tools/lsoda/intdy.js +11 -0
  185. package/src/solver-tools/lsoda/intdy.js.map +1 -1
  186. package/src/solver-tools/lsoda/intdy.ts +12 -0
  187. package/src/solver-tools/lsoda/lsoda.js +11 -0
  188. package/src/solver-tools/lsoda/lsoda.js.map +1 -1
  189. package/src/solver-tools/lsoda/lsoda.ts +12 -0
  190. package/src/solver-tools/lsoda/methodswitch.js +11 -0
  191. package/src/solver-tools/lsoda/methodswitch.js.map +1 -1
  192. package/src/solver-tools/lsoda/methodswitch.ts +12 -0
  193. package/src/solver-tools/lsoda/orderswitch.js +11 -0
  194. package/src/solver-tools/lsoda/orderswitch.js.map +1 -1
  195. package/src/solver-tools/lsoda/orderswitch.ts +12 -0
  196. package/src/solver-tools/lsoda/prja.js +11 -0
  197. package/src/solver-tools/lsoda/prja.js.map +1 -1
  198. package/src/solver-tools/lsoda/prja.ts +12 -0
  199. package/src/solver-tools/lsoda/scaleh.js +11 -0
  200. package/src/solver-tools/lsoda/scaleh.js.map +1 -1
  201. package/src/solver-tools/lsoda/scaleh.ts +12 -0
  202. package/src/solver-tools/lsoda/solsy.js +11 -0
  203. package/src/solver-tools/lsoda/solsy.js.map +1 -1
  204. package/src/solver-tools/lsoda/solsy.ts +12 -0
  205. package/src/solver-tools/lsoda/stoda.js +11 -0
  206. package/src/solver-tools/lsoda/stoda.js.map +1 -1
  207. package/src/solver-tools/lsoda/stoda.ts +12 -0
  208. package/src/solver-tools/lsoda-method.js +23 -9
  209. package/src/solver-tools/lsoda-method.js.map +1 -1
  210. package/src/solver-tools/lsoda-method.ts +27 -9
  211. package/src/solver-tools/solver-defs.js +1 -0
  212. package/src/solver-tools/solver-defs.js.map +1 -1
  213. package/src/solver-tools/solver-defs.ts +1 -0
  214. package/src/tests/cvode-lib-correctness.test.js +404 -0
  215. package/src/tests/cvode-lib-correctness.test.js.map +1 -0
  216. package/src/tests/cvode-lib-correctness.test.ts +505 -0
  217. package/src/tests/cvode-lib-performance.test.js +103 -0
  218. package/src/tests/cvode-lib-performance.test.js.map +1 -0
  219. package/src/tests/cvode-lib-performance.test.ts +128 -0
  220. package/src/tests/performance.test.js +4 -2
  221. package/src/tests/performance.test.js.map +1 -1
  222. package/src/tests/performance.test.ts +4 -2
  223. package/src/tests/test-defs.js +7 -1
  224. package/src/tests/test-defs.js.map +1 -1
  225. package/src/tests/test-defs.ts +8 -1
  226. package/src/worker-tools/solving.js +3 -1
  227. package/src/worker-tools/solving.js.map +1 -1
  228. package/src/worker-tools/solving.ts +4 -1
  229. package/src/examples/bioreactor.js +0 -125
  230. package/src/examples/bioreactor.js.map +0 -1
  231. package/src/examples/bioreactor.ts +0 -132
@@ -0,0 +1,102 @@
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+ /* eslint-disable max-len */
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+ /** This example shows how to apply pipelines and cyclic models.
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+ This approach can be used for in-webworkers analysis of models.
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+
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+ Here, we consider pharmacokinetic-pharmacodynamic (PK-PD) simulation: two-compartment model.
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+ */
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+ import * as DGL from '../../index';
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+ /** 1. Model specification */
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+ const model = `#name: PK-PD
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+ #tags: model
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+ #description: Pharmacokinetic-pharmacodynamic (PK-PD) simulation: two-compartment model
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+ #equations:
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+ d(depot)/dt = -KA * depot
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+ d(centr)/dt = KA * depot - CL * C2 - Q * C2 + Q * C3
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+ d(peri)/dt = Q * C2 - Q * C3
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+ d(eff)/dt = Kin - Kout * (1 - C2/(EC50 + C2)) * eff
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+
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+ #expressions:
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+ C2 = centr / V2
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+ C3 = peri / V3
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+
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+ #loop:
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+ _count = 10 {caption: count; category: Dosing; min: 1; max: 20} [Number of doses]
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+ depot += dose
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+
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+ #argument: t
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+ _t0 = 0 {units: h; caption: begin; category: Dosing; min: 0; max: 1} [Begin of dosing interval]
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+ _t1 = 12 {units: h; caption: end; category: Dosing; min: 5; max: 15} [End of dosing interval]
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+ _h = 1 {units: h; caption: step; category: Dosing; min: 0.01; max: 0.1} [Time step of simulation]
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+
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+ #inits:
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+ depot = 0 {category: Initial values}
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+ centr = 0 {category: Initial values} [Central]
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+ peri = 0 {category: Initial values} [Peripheral]
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+ eff = 0.2 {category: Initial values} [Effective compartment rate]
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+
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+ #parameters:
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+ dose = 1e4 {category: Dosing; min: 1e3; max: 2e4; step: 1e3} [Dosage]
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+ KA = 0.3 {caption: rate constant; category: Parameters; min: 0.1; max: 1}
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+ CL = 2 {caption: clearance; category: Parameters; min: 1; max: 5}
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+ V2 = 4 {caption: central volume; category: Parameters; min: 1; max: 10} [Central compartment volume]
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+ Q = 1 {caption: inter rate; category: Parameters; min: 0.1; max: 1} [Intercompartmental rate]
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+ V3 = 30 {caption: peri volume; category: Parameters; min: 20; max: 40} [Peripheral compartment volume]
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+ EC50 = 8 {caption: effect; category: Parameters; min: 1; max: 10}
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+ Kin = 0.2 {caption: Kin; category: Parameters; min: 0.1; max: 0.5} [The first-order production constant]
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+ Kout = 0.2 {caption: Kout; category: Parameters; min: 0.1; max: 0.5} [The first-order dissipation rate constant]
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+
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+ #tolerance: 1e-9
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+
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+ #meta.solver: {method: 'rkdp'; maxTimeMs: 5000}`;
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+ /** 2. Generate IVP-objects: for the main thread & for computations in webworkers */
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+ const ivp = DGL.getIVP(model);
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+ const ivpWW = DGL.getIvp2WebWorker(ivp);
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+ /** 3. Perform computations */
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+ try {
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+ // 3.1) Extract names of outputs
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+ const outputNames = DGL.getOutputNames(ivp);
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+ const outSize = outputNames.length;
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+ // 3.2) Set model inputs
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+ const inputs = {
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+ _count: 10,
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+ _t0: 0,
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+ _t1: 16,
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+ _h: 1,
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+ depot: 0,
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+ centr: 0,
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+ peri: 0,
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+ eff: 0.2,
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+ dose: 10000,
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+ KA: 0.63,
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+ CL: 3.2,
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+ V2: 6.58,
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+ Q: 0.622,
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+ V3: 35.6,
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+ EC50: 5.41,
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+ Kin: 0.272,
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+ Kout: 0.276,
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+ };
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+ const inputVector = DGL.getInputVector(inputs, ivp);
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+ // 3.3) Create a pipeline
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+ const creator = DGL.getPipelineCreator(ivp);
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+ const pipeline = creator.getPipeline(inputVector);
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+ // 3.4) Apply pipeline to perform computations
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+ const solution = DGL.applyPipeline(pipeline, ivpWW, inputVector);
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+ // 3.5) Print results
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+ // 3.5.1) Table header
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+ let line = ' ';
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+ outputNames.forEach((name) => line += name + ' ');
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+ console.log(line);
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+ // 3.5.2) Table with solution
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+ const length = solution[0].length;
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+ for (let i = 0; i < length; ++i) {
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+ line = '';
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+ for (let j = 0; j < outSize; ++j)
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+ line += solution[j][i].toFixed(8) + ' ';
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+ console.log(line);
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+ }
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+ }
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+ catch (err) {
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+ console.log('Simulation failed: ', err instanceof Error ? err.message : 'Unknown problem!');
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+ }
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+ //# sourceMappingURL=cyclic-model.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"cyclic-model.js","sourceRoot":"","sources":["cyclic-model.ts"],"names":[],"mappings":"AAAA,4BAA4B;AAC5B;;;;EAIE;AAEF,OAAO,KAAK,GAAG,MAAM,aAAa,CAAC;AAEnC,6BAA6B;AAC7B,MAAM,KAAK,GAAG;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;gDAyCkC,CAAC;AAEjD,oFAAoF;AACpF,MAAM,GAAG,GAAG,GAAG,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC;AAC9B,MAAM,KAAK,GAAG,GAAG,CAAC,gBAAgB,CAAC,GAAG,CAAC,CAAC;AAExC,8BAA8B;AAC9B,IAAI,CAAC;IACH,gCAAgC;IAChC,MAAM,WAAW,GAAG,GAAG,CAAC,cAAc,CAAC,GAAG,CAAC,CAAC;IAC5C,MAAM,OAAO,GAAG,WAAW,CAAC,MAAM,CAAC;IAEnC,wBAAwB;IACxB,MAAM,MAAM,GAAG;QACb,MAAM,EAAE,EAAE;QACV,GAAG,EAAE,CAAC;QACN,GAAG,EAAE,EAAE;QACP,EAAE,EAAE,CAAC;QACL,KAAK,EAAE,CAAC;QACR,KAAK,EAAE,CAAC;QACR,IAAI,EAAE,CAAC;QACP,GAAG,EAAE,GAAG;QACR,IAAI,EAAE,KAAK;QACX,EAAE,EAAE,IAAI;QACR,EAAE,EAAE,GAAG;QACP,EAAE,EAAE,IAAI;QACR,CAAC,EAAE,KAAK;QACR,EAAE,EAAE,IAAI;QACR,IAAI,EAAE,IAAI;QACV,GAAG,EAAE,KAAK;QACV,IAAI,EAAE,KAAK;KACZ,CAAC;IACF,MAAM,WAAW,GAAG,GAAG,CAAC,cAAc,CAAC,MAAM,EAAE,GAAG,CAAC,CAAC;IAEpD,yBAAyB;IACzB,MAAM,OAAO,GAAG,GAAG,CAAC,kBAAkB,CAAC,GAAG,CAAC,CAAC;IAC5C,MAAM,QAAQ,GAAG,OAAO,CAAC,WAAW,CAAC,WAAW,CAAC,CAAC;IAElD,8CAA8C;IAC9C,MAAM,QAAQ,GAAG,GAAG,CAAC,aAAa,CAAC,QAAQ,EAAE,KAAK,EAAE,WAAW,CAAC,CAAC;IAEjE,qBAAqB;IAErB,sBAAsB;IACtB,IAAI,IAAI,GAAG,WAAW,CAAC;IACvB,WAAW,CAAC,OAAO,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,IAAI,IAAI,GAAG,aAAa,CAAC,CAAC;IAC5D,OAAO,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;IAElB,6BAA6B;IAC7B,MAAM,MAAM,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IAClC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,EAAE,EAAE,CAAC,EAAE,CAAC;QAChC,IAAI,GAAG,EAAE,CAAC;QAEV,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,EAAE,EAAE,CAAC;YAC9B,IAAI,IAAI,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,OAAO,CAAC;QAE9C,OAAO,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;IACpB,CAAC;AACH,CAAC;AAAC,OAAO,GAAG,EAAE,CAAC;IACb,OAAO,CAAC,GAAG,CAAC,qBAAqB,EAAE,GAAG,YAAY,KAAK,CAAC,CAAC,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC,kBAAkB,CAAC,CAAC;AAC9F,CAAC"}
@@ -0,0 +1,112 @@
1
+ /* eslint-disable max-len */
2
+ /** This example shows how to apply pipelines and cyclic models.
3
+ This approach can be used for in-webworkers analysis of models.
4
+
5
+ Here, we consider pharmacokinetic-pharmacodynamic (PK-PD) simulation: two-compartment model.
6
+ */
7
+
8
+ import * as DGL from '../../index';
9
+
10
+ /** 1. Model specification */
11
+ const model = `#name: PK-PD
12
+ #tags: model
13
+ #description: Pharmacokinetic-pharmacodynamic (PK-PD) simulation: two-compartment model
14
+ #equations:
15
+ d(depot)/dt = -KA * depot
16
+ d(centr)/dt = KA * depot - CL * C2 - Q * C2 + Q * C3
17
+ d(peri)/dt = Q * C2 - Q * C3
18
+ d(eff)/dt = Kin - Kout * (1 - C2/(EC50 + C2)) * eff
19
+
20
+ #expressions:
21
+ C2 = centr / V2
22
+ C3 = peri / V3
23
+
24
+ #loop:
25
+ _count = 10 {caption: count; category: Dosing; min: 1; max: 20} [Number of doses]
26
+ depot += dose
27
+
28
+ #argument: t
29
+ _t0 = 0 {units: h; caption: begin; category: Dosing; min: 0; max: 1} [Begin of dosing interval]
30
+ _t1 = 12 {units: h; caption: end; category: Dosing; min: 5; max: 15} [End of dosing interval]
31
+ _h = 1 {units: h; caption: step; category: Dosing; min: 0.01; max: 0.1} [Time step of simulation]
32
+
33
+ #inits:
34
+ depot = 0 {category: Initial values}
35
+ centr = 0 {category: Initial values} [Central]
36
+ peri = 0 {category: Initial values} [Peripheral]
37
+ eff = 0.2 {category: Initial values} [Effective compartment rate]
38
+
39
+ #parameters:
40
+ dose = 1e4 {category: Dosing; min: 1e3; max: 2e4; step: 1e3} [Dosage]
41
+ KA = 0.3 {caption: rate constant; category: Parameters; min: 0.1; max: 1}
42
+ CL = 2 {caption: clearance; category: Parameters; min: 1; max: 5}
43
+ V2 = 4 {caption: central volume; category: Parameters; min: 1; max: 10} [Central compartment volume]
44
+ Q = 1 {caption: inter rate; category: Parameters; min: 0.1; max: 1} [Intercompartmental rate]
45
+ V3 = 30 {caption: peri volume; category: Parameters; min: 20; max: 40} [Peripheral compartment volume]
46
+ EC50 = 8 {caption: effect; category: Parameters; min: 1; max: 10}
47
+ Kin = 0.2 {caption: Kin; category: Parameters; min: 0.1; max: 0.5} [The first-order production constant]
48
+ Kout = 0.2 {caption: Kout; category: Parameters; min: 0.1; max: 0.5} [The first-order dissipation rate constant]
49
+
50
+ #tolerance: 1e-9
51
+
52
+ #meta.solver: {method: 'rkdp'; maxTimeMs: 5000}`;
53
+
54
+ /** 2. Generate IVP-objects: for the main thread & for computations in webworkers */
55
+ const ivp = DGL.getIVP(model);
56
+ const ivpWW = DGL.getIvp2WebWorker(ivp);
57
+
58
+ /** 3. Perform computations */
59
+ try {
60
+ // 3.1) Extract names of outputs
61
+ const outputNames = DGL.getOutputNames(ivp);
62
+ const outSize = outputNames.length;
63
+
64
+ // 3.2) Set model inputs
65
+ const inputs = {
66
+ _count: 10,
67
+ _t0: 0,
68
+ _t1: 16,
69
+ _h: 1,
70
+ depot: 0,
71
+ centr: 0,
72
+ peri: 0,
73
+ eff: 0.2,
74
+ dose: 10000,
75
+ KA: 0.63,
76
+ CL: 3.2,
77
+ V2: 6.58,
78
+ Q: 0.622,
79
+ V3: 35.6,
80
+ EC50: 5.41,
81
+ Kin: 0.272,
82
+ Kout: 0.276,
83
+ };
84
+ const inputVector = DGL.getInputVector(inputs, ivp);
85
+
86
+ // 3.3) Create a pipeline
87
+ const creator = DGL.getPipelineCreator(ivp);
88
+ const pipeline = creator.getPipeline(inputVector);
89
+
90
+ // 3.4) Apply pipeline to perform computations
91
+ const solution = DGL.applyPipeline(pipeline, ivpWW, inputVector);
92
+
93
+ // 3.5) Print results
94
+
95
+ // 3.5.1) Table header
96
+ let line = ' ';
97
+ outputNames.forEach((name) => line += name + ' ');
98
+ console.log(line);
99
+
100
+ // 3.5.2) Table with solution
101
+ const length = solution[0].length;
102
+ for (let i = 0; i < length; ++i) {
103
+ line = '';
104
+
105
+ for (let j = 0; j < outSize; ++j)
106
+ line += solution[j][i].toFixed(8) + ' ';
107
+
108
+ console.log(line);
109
+ }
110
+ } catch (err) {
111
+ console.log('Simulation failed: ', err instanceof Error ? err.message : 'Unknown problem!');
112
+ }
@@ -0,0 +1,36 @@
1
+ /** Kintetic constants for the E5 model */
2
+ var E5;
3
+ (function (E5) {
4
+ E5[E5["K1"] = 7.89e-10] = "K1";
5
+ E5[E5["K2"] = 1130000000] = "K2";
6
+ E5[E5["K3"] = 11000000] = "K3";
7
+ E5[E5["K4"] = 1130] = "K4";
8
+ })(E5 || (E5 = {}));
9
+ ;
10
+ /** The E5 model (chemical pyrolysis: https://archimede.uniba.it/~testset/report/e5.pdf) */
11
+ export const e5 = {
12
+ name: 'E5',
13
+ arg: { name: 't', start: 0, finish: 1e13, step: 2.5e8 },
14
+ initial: [0.00176, 0, 0, 0],
15
+ func: (t, y, output) => {
16
+ // extract function values
17
+ const y1 = y[0];
18
+ const y2 = y[1];
19
+ const y3 = y[2];
20
+ const y4 = y[3];
21
+ // compute output
22
+ output[0] = -E5.K1 * y1 - E5.K3 * y1 * y3;
23
+ output[1] = E5.K1 * y1 - E5.K2 * y2 * y3;
24
+ output[2] = E5.K1 * y1 - E5.K2 * y2 * y3 - E5.K3 * y1 * y3 + E5.K4 * y4;
25
+ output[3] = E5.K3 * y1 * y3 - E5.K4 * y4;
26
+ },
27
+ tolerance: 1e-6,
28
+ solutionColNames: ['y1', 'y2', 'y3', 'y4'],
29
+ };
30
+ export const e5ReferencePoint = new Float64Array([
31
+ 0.1152903278711829E-290,
32
+ 0.8867655517642120E-22,
33
+ 0.8854814626268838E-22,
34
+ 0,
35
+ ]);
36
+ //# sourceMappingURL=e5.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"e5.js","sourceRoot":"","sources":["e5.ts"],"names":[],"mappings":"AAAC,0CAA0C;AAC1C,IAAK,EAKH;AALF,WAAK,EAAE;IACJ,8BAAa,CAAA;IACb,gCAAW,CAAA;IACX,8BAAU,CAAA;IACV,0BAAW,CAAA;AACb,CAAC,EALG,EAAE,KAAF,EAAE,QAKL;AAAA,CAAC;AAEJ,2FAA2F;AAC3F,MAAM,CAAC,MAAM,EAAE,GAAG;IAChB,IAAI,EAAE,IAAI;IACV,GAAG,EAAE,EAAC,IAAI,EAAE,GAAG,EAAE,KAAK,EAAE,CAAC,EAAE,MAAM,EAAE,IAAI,EAAE,IAAI,EAAE,KAAK,EAAC;IACrD,OAAO,EAAE,CAAC,OAAO,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,IAAI,EAAE,CAAC,CAAS,EAAE,CAAe,EAAE,MAAoB,EAAE,EAAE;QACzD,0BAA0B;QAC1B,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAEhB,iBAAiB;QACjB,MAAM,CAAC,CAAC,CAAC,GAAG,CAAC,EAAE,CAAC,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC;QAC1C,MAAM,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC;QACzC,MAAM,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC;QACxE,MAAM,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC;IAC3C,CAAC;IACD,SAAS,EAAE,IAAI;IACf,gBAAgB,EAAE,CAAC,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,CAAC;CAC3C,CAAC;AAEF,MAAM,CAAC,MAAM,gBAAgB,GAAG,IAAI,YAAY,CAAC;IAC/C,uBAAuB;IACvB,sBAAsB;IACtB,sBAAsB;IACtB,CAAC;CACF,CAAC,CAAC"}
@@ -0,0 +1,36 @@
1
+ /** Kintetic constants for the E5 model */
2
+ enum E5 {
3
+ K1 = 7.89e-10,
4
+ K2 = 1.13e9,
5
+ K3 = 1.1e7,
6
+ K4 = 1.13e3,
7
+ };
8
+
9
+ /** The E5 model (chemical pyrolysis: https://archimede.uniba.it/~testset/report/e5.pdf) */
10
+ export const e5 = {
11
+ name: 'E5',
12
+ arg: {name: 't', start: 0, finish: 1e13, step: 2.5e8},
13
+ initial: [0.00176, 0, 0, 0],
14
+ func: (t: number, y: Float64Array, output: Float64Array) => {
15
+ // extract function values
16
+ const y1 = y[0];
17
+ const y2 = y[1];
18
+ const y3 = y[2];
19
+ const y4 = y[3];
20
+
21
+ // compute output
22
+ output[0] = -E5.K1 * y1 - E5.K3 * y1 * y3;
23
+ output[1] = E5.K1 * y1 - E5.K2 * y2 * y3;
24
+ output[2] = E5.K1 * y1 - E5.K2 * y2 * y3 - E5.K3 * y1 * y3 + E5.K4 * y4;
25
+ output[3] = E5.K3 * y1 * y3 - E5.K4 * y4;
26
+ },
27
+ tolerance: 1e-6,
28
+ solutionColNames: ['y1', 'y2', 'y3', 'y4'],
29
+ };
30
+
31
+ export const e5ReferencePoint = new Float64Array([
32
+ 0.1152903278711829E-290,
33
+ 0.8867655517642120E-22,
34
+ 0.8854814626268838E-22,
35
+ 0,
36
+ ]);
@@ -0,0 +1,39 @@
1
+ /** High Irradiance Responses of photomorphogenesis (see https://archimede.uniba.it/~testset/problems/hires.php) */
2
+ export const hires = {
3
+ name: 'HIRES',
4
+ arg: { name: 't', start: 0, finish: 321.8122, step: 0.01 },
5
+ initial: [1, 0, 0, 0, 0, 0, 0, 0.0057],
6
+ func: (t, y, output) => {
7
+ // extract function values
8
+ const y1 = y[0];
9
+ const y2 = y[1];
10
+ const y3 = y[2];
11
+ const y4 = y[3];
12
+ const y5 = y[4];
13
+ const y6 = y[5];
14
+ const y7 = y[6];
15
+ const y8 = y[7];
16
+ // compute output
17
+ output[0] = -1.71 * y1 + 0.43 * y2 + 8.32 * y3 + 0.0007;
18
+ output[1] = 1.71 * y1 - 8.75 * y2;
19
+ output[2] = -10.03 * y3 + 0.43 * y4 + 0.035 * y5;
20
+ output[3] = 8.32 * y2 + 1.71 * y3 - 1.12 * y4;
21
+ output[4] = -1.745 * y5 + 0.43 * y6 + 0.43 * y7;
22
+ output[5] = -280 * y6 * y8 + 0.69 * y4 + 1.71 * y5 - 0.43 * y6 + 0.69 * y7;
23
+ output[6] = 280 * y6 * y8 - 1.81 * y7;
24
+ output[7] = -280 * y6 * y8 + 1.81 * y7;
25
+ },
26
+ tolerance: 1e-10,
27
+ solutionColNames: ['y1', 'y2', 'y3', 'y4', 'y5', 'y6', 'y7', 'y8'],
28
+ }; // hires
29
+ export const hiresReferencePoint = new Float64Array([
30
+ 0.7371312573325668E-3,
31
+ 0.1442485726316185E-3,
32
+ 0.5888729740967575E-4,
33
+ 0.1175651343283149E-2,
34
+ 0.2386356198831331E-2,
35
+ 0.6238968252742796E-2,
36
+ 0.2849998395185769E-2,
37
+ 0.2850001604814231E-2,
38
+ ]);
39
+ //# sourceMappingURL=hires.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"hires.js","sourceRoot":"","sources":["hires.ts"],"names":[],"mappings":"AAAA,mHAAmH;AACnH,MAAM,CAAC,MAAM,KAAK,GAAG;IACnB,IAAI,EAAE,OAAO;IACb,GAAG,EAAE,EAAC,IAAI,EAAE,GAAG,EAAE,KAAK,EAAE,CAAC,EAAE,MAAM,EAAE,QAAQ,EAAE,IAAI,EAAE,IAAI,EAAC;IACxD,OAAO,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,MAAM,CAAC;IACtC,IAAI,EAAE,CAAC,CAAS,EAAE,CAAe,EAAE,MAAoB,EAAE,EAAE;QACzD,0BAA0B;QAC1B,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAEhB,iBAAiB;QACjB,MAAM,CAAC,CAAC,CAAC,GAAG,CAAC,IAAI,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,GAAG,MAAM,CAAC;QACxD,MAAM,CAAC,CAAC,CAAC,GAAG,IAAI,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,CAAC;QAClC,MAAM,CAAC,CAAC,CAAC,GAAG,CAAC,KAAK,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,GAAG,KAAK,GAAG,EAAE,CAAC;QACjD,MAAM,CAAC,CAAC,CAAC,GAAG,IAAI,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,CAAC;QAC9C,MAAM,CAAC,CAAC,CAAC,GAAG,CAAC,KAAK,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,CAAC;QAChD,MAAM,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,CAAC;QAC3E,MAAM,CAAC,CAAC,CAAC,GAAG,GAAG,GAAG,EAAE,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,CAAC;QACtC,MAAM,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,GAAG,IAAI,GAAG,EAAE,CAAC;IACzC,CAAC;IACD,SAAS,EAAE,KAAK;IAChB,gBAAgB,EAAE,CAAC,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,CAAC;CACnE,CAAC,CAAC,QAAQ;AAEX,MAAM,CAAC,MAAM,mBAAmB,GAAG,IAAI,YAAY,CAAC;IAClD,qBAAqB;IACrB,qBAAqB;IACrB,qBAAqB;IACrB,qBAAqB;IACrB,qBAAqB;IACrB,qBAAqB;IACrB,qBAAqB;IACrB,qBAAqB;CACtB,CAAC,CAAC"}
@@ -0,0 +1,40 @@
1
+ /** High Irradiance Responses of photomorphogenesis (see https://archimede.uniba.it/~testset/problems/hires.php) */
2
+ export const hires = {
3
+ name: 'HIRES',
4
+ arg: {name: 't', start: 0, finish: 321.8122, step: 0.01},
5
+ initial: [1, 0, 0, 0, 0, 0, 0, 0.0057],
6
+ func: (t: number, y: Float64Array, output: Float64Array) => {
7
+ // extract function values
8
+ const y1 = y[0];
9
+ const y2 = y[1];
10
+ const y3 = y[2];
11
+ const y4 = y[3];
12
+ const y5 = y[4];
13
+ const y6 = y[5];
14
+ const y7 = y[6];
15
+ const y8 = y[7];
16
+
17
+ // compute output
18
+ output[0] = -1.71 * y1 + 0.43 * y2 + 8.32 * y3 + 0.0007;
19
+ output[1] = 1.71 * y1 - 8.75 * y2;
20
+ output[2] = -10.03 * y3 + 0.43 * y4 + 0.035 * y5;
21
+ output[3] = 8.32 * y2 + 1.71 * y3 - 1.12 * y4;
22
+ output[4] = -1.745 * y5 + 0.43 * y6 + 0.43 * y7;
23
+ output[5] = -280 * y6 * y8 + 0.69 * y4 + 1.71 * y5 - 0.43 * y6 + 0.69 * y7;
24
+ output[6] = 280 * y6 * y8 - 1.81 * y7;
25
+ output[7] = -280 * y6 * y8 + 1.81 * y7;
26
+ },
27
+ tolerance: 1e-10,
28
+ solutionColNames: ['y1', 'y2', 'y3', 'y4', 'y5', 'y6', 'y7', 'y8'],
29
+ }; // hires
30
+
31
+ export const hiresReferencePoint = new Float64Array([
32
+ 0.7371312573325668E-3,
33
+ 0.1442485726316185E-3,
34
+ 0.5888729740967575E-4,
35
+ 0.1175651343283149E-2,
36
+ 0.2386356198831331E-2,
37
+ 0.6238968252742796E-2,
38
+ 0.2849998395185769E-2,
39
+ 0.2850001604814231E-2,
40
+ ]);
@@ -0,0 +1,112 @@
1
+ /* eslint-disable max-len */
2
+ /** This example shows how to apply pipelines and models with updates.
3
+ This approach can be used for in-webworkers analysis of models.
4
+
5
+ Here, we consider gluconic acid (GA) production by Aspergillus niger modeling.
6
+ */
7
+ import * as DGL from '../../index';
8
+ /** 1. Model specification */
9
+ const model = `#name: GA-production
10
+ #tags: model
11
+ #description: Gluconic acid (GA) production by Aspergillus niger modeling
12
+ #equations:
13
+ dX/dt = rX
14
+ dS/dt = -gamma * rX - lambda * X
15
+ dO/dt = Kla * (Cod - O) - delta * rX - phi * X
16
+ dP/dt = alpha * rX + beta * X
17
+
18
+ #expressions:
19
+ mu = muM * S / (Ks + S) * O / (Ko + O)
20
+ rX = mu * X
21
+
22
+ #argument: t, 1-st stage
23
+ _t0 = 0 {units: h; caption: initial; category: Misc} [Start of the process]
24
+ _t1 = 60 {units: h; caption: 1-st stage; category: Durations; min: 20; max: 80} [Duration of the 1-st stage]
25
+ step = 0.1 {units: h; caption: step; category: Misc; min: 0.01; max: 1} [Time step of simulation]
26
+
27
+ #update: 2-nd stage
28
+ duration = overall - _t1
29
+ S += 70
30
+
31
+ #inits:
32
+ X = 5 {units: kg/m³; caption: biomass; category: Initial concentrations; min: 1; max: 10} [Aspergillus niger biomass]
33
+ S = 150 {units: kg/m³; caption: glucose; category: Initial concentrations; min: 50; max: 200} [Glucose]
34
+ O = 7 {units: kg/m³; caption: oxygen; category: Initial concentrations; min: 1; max: 10} [Dissolved oxygen]
35
+ P = 0 {units: kg/m³; caption: acid; category: Initial concentrations; min: 0; max: 0.1} [Gluconic acid]
36
+
37
+ #output:
38
+ t {caption: time}
39
+ X {caption: biomass}
40
+ S {caption: glucose}
41
+ O {caption: oxygen}
42
+ P {caption: acid}
43
+
44
+ #parameters:
45
+ overall = 100 {units: h; category: Durations; min: 100; max: 140} [Overall duration]
46
+ muM = 0.668 {units: 1/h; category: Parameters} [Monod type model parameter]
47
+ alpha = 2.92 {category: Parameters} [Monod type model parameter]
48
+ beta = 0.131 {units: 1/h; category: Parameters} [Monod type model parameter]
49
+ gamma = 2.12 {category: Parameters} [Monod type model parameter]
50
+ lambda = 0.232 {units: 1/h; category: Parameters} [Monod type model parameter]
51
+ delta = 0.278 {category: Parameters} [Monod type model parameter]
52
+ phi = 4.87e-3 {units: 1/h; category: Parameters} [Monod type model parameter]
53
+ Ks = 1.309e2 {units: g/L; category: Parameters} [Monod type model parameter]
54
+ Ko = 3.63e-4 {units: g/L; category: Parameters} [Monod type model parameter]
55
+ Kla = 1.7e-2 {units: 1/s; category: Parameters} [Volumetric mass transfer coefficient]
56
+ Cod = 15 {units: kg/m³; category: Parameters} [Liquid phase dissolved oxygen saturation concentration]
57
+
58
+ #tolerance: 1e-9`;
59
+ /** 2. Generate IVP-objects: for the main thread & for computations in webworkers */
60
+ const ivp = DGL.getIVP(model);
61
+ const ivpWW = DGL.getIvp2WebWorker(ivp);
62
+ /** 3. Perform computations */
63
+ try {
64
+ // 3.1) Extract names of outputs
65
+ const outputNames = DGL.getOutputNames(ivp);
66
+ const outSize = outputNames.length;
67
+ // 3.2) Set model inputs
68
+ const inputs = {
69
+ _t0: 0,
70
+ _t1: 60,
71
+ _h: 1,
72
+ X: 5,
73
+ S: 150,
74
+ O: 7,
75
+ P: 0,
76
+ overall: 100,
77
+ muM: 0.668,
78
+ alpha: 2.92,
79
+ beta: 0.131,
80
+ gamma: 2.12,
81
+ lambda: 0.232,
82
+ delta: 0.278,
83
+ phi: 4.87e-3,
84
+ Ks: 1.309e2,
85
+ Ko: 3.63e-4,
86
+ Kla: 1.7e-2,
87
+ Cod: 15,
88
+ };
89
+ const inputVector = DGL.getInputVector(inputs, ivp);
90
+ // 3.3) Create a pipeline
91
+ const creator = DGL.getPipelineCreator(ivp);
92
+ const pipeline = creator.getPipeline(inputVector);
93
+ // 3.4) Apply pipeline to perform computations
94
+ const solution = DGL.applyPipeline(pipeline, ivpWW, inputVector);
95
+ // 3.5) Print results
96
+ // 3.5.1) Table header
97
+ let line = ' ';
98
+ outputNames.forEach((name) => line += name + ' ');
99
+ console.log(line);
100
+ // 3.5.2) Table with solution
101
+ const length = solution[0].length;
102
+ for (let i = 0; i < length; ++i) {
103
+ line = '';
104
+ for (let j = 0; j < outSize; ++j)
105
+ line += solution[j][i].toFixed(8) + ' ';
106
+ console.log(line);
107
+ }
108
+ }
109
+ catch (err) {
110
+ console.log('Simulation failed: ', err instanceof Error ? err.message : 'Unknown problem!');
111
+ }
112
+ //# sourceMappingURL=model-updates.js.map
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+ {"version":3,"file":"model-updates.js","sourceRoot":"","sources":["model-updates.ts"],"names":[],"mappings":"AAAA,4BAA4B;AAC5B;;;;EAIE;AAEF,OAAO,KAAK,GAAG,MAAM,aAAa,CAAC;AAEnC,6BAA6B;AAC7B,MAAM,KAAK,GAAG;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;iBAiDG,CAAC;AAElB,oFAAoF;AACpF,MAAM,GAAG,GAAG,GAAG,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC;AAC9B,MAAM,KAAK,GAAG,GAAG,CAAC,gBAAgB,CAAC,GAAG,CAAC,CAAC;AAExC,8BAA8B;AAC9B,IAAI,CAAC;IACH,gCAAgC;IAChC,MAAM,WAAW,GAAG,GAAG,CAAC,cAAc,CAAC,GAAG,CAAC,CAAC;IAC5C,MAAM,OAAO,GAAG,WAAW,CAAC,MAAM,CAAC;IAEnC,wBAAwB;IACxB,MAAM,MAAM,GAAG;QACb,GAAG,EAAE,CAAC;QACN,GAAG,EAAE,EAAE;QACP,EAAE,EAAE,CAAC;QACL,CAAC,EAAE,CAAC;QACJ,CAAC,EAAE,GAAG;QACN,CAAC,EAAE,CAAC;QACJ,CAAC,EAAE,CAAC;QACJ,OAAO,EAAE,GAAG;QACZ,GAAG,EAAE,KAAK;QACV,KAAK,EAAE,IAAI;QACX,IAAI,EAAE,KAAK;QACX,KAAK,EAAE,IAAI;QACX,MAAM,EAAE,KAAK;QACb,KAAK,EAAE,KAAK;QACZ,GAAG,EAAE,OAAO;QACZ,EAAE,EAAE,OAAO;QACX,EAAE,EAAE,OAAO;QACX,GAAG,EAAE,MAAM;QACX,GAAG,EAAE,EAAE;KACR,CAAC;IACF,MAAM,WAAW,GAAG,GAAG,CAAC,cAAc,CAAC,MAAM,EAAE,GAAG,CAAC,CAAC;IAEpD,yBAAyB;IACzB,MAAM,OAAO,GAAG,GAAG,CAAC,kBAAkB,CAAC,GAAG,CAAC,CAAC;IAC5C,MAAM,QAAQ,GAAG,OAAO,CAAC,WAAW,CAAC,WAAW,CAAC,CAAC;IAElD,8CAA8C;IAC9C,MAAM,QAAQ,GAAG,GAAG,CAAC,aAAa,CAAC,QAAQ,EAAE,KAAK,EAAE,WAAW,CAAC,CAAC;IAEjE,qBAAqB;IAErB,sBAAsB;IACtB,IAAI,IAAI,GAAG,OAAO,CAAC;IACnB,WAAW,CAAC,OAAO,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,IAAI,IAAI,GAAG,WAAW,CAAC,CAAC;IAC1D,OAAO,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;IAElB,6BAA6B;IAC7B,MAAM,MAAM,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IAClC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,EAAE,EAAE,CAAC,EAAE,CAAC;QAChC,IAAI,GAAG,EAAE,CAAC;QAEV,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,EAAE,EAAE,CAAC;YAC9B,IAAI,IAAI,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,OAAO,CAAC;QAE9C,OAAO,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;IACpB,CAAC;AACH,CAAC;AAAC,OAAO,GAAG,EAAE,CAAC;IACb,OAAO,CAAC,GAAG,CAAC,qBAAqB,EAAE,GAAG,YAAY,KAAK,CAAC,CAAC,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC,kBAAkB,CAAC,CAAC;AAC9F,CAAC"}
@@ -0,0 +1,122 @@
1
+ /* eslint-disable max-len */
2
+ /** This example shows how to apply pipelines and models with updates.
3
+ This approach can be used for in-webworkers analysis of models.
4
+
5
+ Here, we consider gluconic acid (GA) production by Aspergillus niger modeling.
6
+ */
7
+
8
+ import * as DGL from '../../index';
9
+
10
+ /** 1. Model specification */
11
+ const model = `#name: GA-production
12
+ #tags: model
13
+ #description: Gluconic acid (GA) production by Aspergillus niger modeling
14
+ #equations:
15
+ dX/dt = rX
16
+ dS/dt = -gamma * rX - lambda * X
17
+ dO/dt = Kla * (Cod - O) - delta * rX - phi * X
18
+ dP/dt = alpha * rX + beta * X
19
+
20
+ #expressions:
21
+ mu = muM * S / (Ks + S) * O / (Ko + O)
22
+ rX = mu * X
23
+
24
+ #argument: t, 1-st stage
25
+ _t0 = 0 {units: h; caption: initial; category: Misc} [Start of the process]
26
+ _t1 = 60 {units: h; caption: 1-st stage; category: Durations; min: 20; max: 80} [Duration of the 1-st stage]
27
+ step = 0.1 {units: h; caption: step; category: Misc; min: 0.01; max: 1} [Time step of simulation]
28
+
29
+ #update: 2-nd stage
30
+ duration = overall - _t1
31
+ S += 70
32
+
33
+ #inits:
34
+ X = 5 {units: kg/m³; caption: biomass; category: Initial concentrations; min: 1; max: 10} [Aspergillus niger biomass]
35
+ S = 150 {units: kg/m³; caption: glucose; category: Initial concentrations; min: 50; max: 200} [Glucose]
36
+ O = 7 {units: kg/m³; caption: oxygen; category: Initial concentrations; min: 1; max: 10} [Dissolved oxygen]
37
+ P = 0 {units: kg/m³; caption: acid; category: Initial concentrations; min: 0; max: 0.1} [Gluconic acid]
38
+
39
+ #output:
40
+ t {caption: time}
41
+ X {caption: biomass}
42
+ S {caption: glucose}
43
+ O {caption: oxygen}
44
+ P {caption: acid}
45
+
46
+ #parameters:
47
+ overall = 100 {units: h; category: Durations; min: 100; max: 140} [Overall duration]
48
+ muM = 0.668 {units: 1/h; category: Parameters} [Monod type model parameter]
49
+ alpha = 2.92 {category: Parameters} [Monod type model parameter]
50
+ beta = 0.131 {units: 1/h; category: Parameters} [Monod type model parameter]
51
+ gamma = 2.12 {category: Parameters} [Monod type model parameter]
52
+ lambda = 0.232 {units: 1/h; category: Parameters} [Monod type model parameter]
53
+ delta = 0.278 {category: Parameters} [Monod type model parameter]
54
+ phi = 4.87e-3 {units: 1/h; category: Parameters} [Monod type model parameter]
55
+ Ks = 1.309e2 {units: g/L; category: Parameters} [Monod type model parameter]
56
+ Ko = 3.63e-4 {units: g/L; category: Parameters} [Monod type model parameter]
57
+ Kla = 1.7e-2 {units: 1/s; category: Parameters} [Volumetric mass transfer coefficient]
58
+ Cod = 15 {units: kg/m³; category: Parameters} [Liquid phase dissolved oxygen saturation concentration]
59
+
60
+ #tolerance: 1e-9`;
61
+
62
+ /** 2. Generate IVP-objects: for the main thread & for computations in webworkers */
63
+ const ivp = DGL.getIVP(model);
64
+ const ivpWW = DGL.getIvp2WebWorker(ivp);
65
+
66
+ /** 3. Perform computations */
67
+ try {
68
+ // 3.1) Extract names of outputs
69
+ const outputNames = DGL.getOutputNames(ivp);
70
+ const outSize = outputNames.length;
71
+
72
+ // 3.2) Set model inputs
73
+ const inputs = {
74
+ _t0: 0,
75
+ _t1: 60,
76
+ _h: 1,
77
+ X: 5,
78
+ S: 150,
79
+ O: 7,
80
+ P: 0,
81
+ overall: 100,
82
+ muM: 0.668,
83
+ alpha: 2.92,
84
+ beta: 0.131,
85
+ gamma: 2.12,
86
+ lambda: 0.232,
87
+ delta: 0.278,
88
+ phi: 4.87e-3,
89
+ Ks: 1.309e2,
90
+ Ko: 3.63e-4,
91
+ Kla: 1.7e-2,
92
+ Cod: 15,
93
+ };
94
+ const inputVector = DGL.getInputVector(inputs, ivp);
95
+
96
+ // 3.3) Create a pipeline
97
+ const creator = DGL.getPipelineCreator(ivp);
98
+ const pipeline = creator.getPipeline(inputVector);
99
+
100
+ // 3.4) Apply pipeline to perform computations
101
+ const solution = DGL.applyPipeline(pipeline, ivpWW, inputVector);
102
+
103
+ // 3.5) Print results
104
+
105
+ // 3.5.1) Table header
106
+ let line = ' ';
107
+ outputNames.forEach((name) => line += name + ' ');
108
+ console.log(line);
109
+
110
+ // 3.5.2) Table with solution
111
+ const length = solution[0].length;
112
+ for (let i = 0; i < length; ++i) {
113
+ line = '';
114
+
115
+ for (let j = 0; j < outSize; ++j)
116
+ line += solution[j][i].toFixed(8) + ' ';
117
+
118
+ console.log(line);
119
+ }
120
+ } catch (err) {
121
+ console.log('Simulation failed: ', err instanceof Error ? err.message : 'Unknown problem!');
122
+ }
@@ -0,0 +1,24 @@
1
+ /** The OREGO model (see https://archimede.uniba.it/~testset/report/orego.pdf) */
2
+ export const orego = {
3
+ name: 'OREGO',
4
+ arg: { name: 't', start: 0, finish: 360, step: 0.01 },
5
+ initial: [1, 2, 3],
6
+ func: (t, y, output) => {
7
+ // extract function values
8
+ const y1 = y[0];
9
+ const y2 = y[1];
10
+ const y3 = y[2];
11
+ // compute output
12
+ output[0] = 77.27 * (y2 - y1 * y2 + y1 - 0.000008375 * y1 * y1);
13
+ output[1] = 1 / 77.27 * (-y2 - y1 * y2 + y3);
14
+ output[2] = 0.161 * (y1 - y3);
15
+ },
16
+ tolerance: 1e-8,
17
+ solutionColNames: ['y1', 'y2', 'y3'],
18
+ };
19
+ export const oregoReferencePoint = new Float64Array([
20
+ 1.000814870318523,
21
+ 1228.178521549917,
22
+ 132.0554942846706,
23
+ ]);
24
+ //# sourceMappingURL=orego.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"orego.js","sourceRoot":"","sources":["orego.ts"],"names":[],"mappings":"AAAA,iFAAiF;AACjF,MAAM,CAAC,MAAM,KAAK,GAAG;IACnB,IAAI,EAAE,OAAO;IACb,GAAG,EAAE,EAAC,IAAI,EAAE,GAAG,EAAE,KAAK,EAAE,CAAC,EAAE,MAAM,EAAE,GAAG,EAAE,IAAI,EAAE,IAAI,EAAC;IACnD,OAAO,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAClB,IAAI,EAAE,CAAC,CAAS,EAAE,CAAe,EAAE,MAAoB,EAAE,EAAE;QACzD,0BAA0B;QAC1B,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAEhB,iBAAiB;QACjB,MAAM,CAAC,CAAC,CAAC,GAAG,KAAK,GAAG,CAAC,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,WAAW,GAAG,EAAE,GAAG,EAAE,CAAE,CAAC;QACjE,MAAM,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,KAAK,GAAG,CAAC,CAAC,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;QAC7C,MAAM,CAAC,CAAC,CAAC,GAAG,KAAK,GAAG,CAAC,EAAE,GAAG,EAAE,CAAC,CAAC;IAChC,CAAC;IACD,SAAS,EAAE,IAAI;IACf,gBAAgB,EAAE,CAAC,IAAI,EAAE,IAAI,EAAE,IAAI,CAAC;CACrC,CAAC;AAEF,MAAM,CAAC,MAAM,mBAAmB,GAAG,IAAI,YAAY,CAAC;IAClD,iBAAiB;IACjB,iBAAiB;IACjB,iBAAiB;CAClB,CAAC,CAAC"}