From c4763bf154f2fdadbe544d4bd0f882237e46a636 Mon Sep 17 00:00:00 2001 From: "Jan C. Brammer" Date: Mon, 4 Sep 2023 12:49:57 +0000 Subject: [PATCH] Add column for solvents --- app/api/entities/reaction_variation_entity.rb | 5 ++++ .../variationsTab/ReactionVariations.js | 18 +++++++++++--- .../variationsTab/ReactionVariationsUtils.js | 23 ++++++++++++------ app/packs/src/models/Reaction.js | 10 ++++++-- lib/reporter/docx/detail_reaction.rb | 1 + lib/template/Standard.docx | Bin 93894 -> 94073 bytes spec/api/entities/reaction_entity_spec.rb | 6 +++-- .../packs/src/models/Reaction.spec.js | 3 ++- 8 files changed, 51 insertions(+), 15 deletions(-) diff --git a/app/api/entities/reaction_variation_entity.rb b/app/api/entities/reaction_variation_entity.rb index 21d4ecbd25..6985f87514 100644 --- a/app/api/entities/reaction_variation_entity.rb +++ b/app/api/entities/reaction_variation_entity.rb @@ -7,6 +7,7 @@ class ReactionVariationEntity < ApplicationEntity :properties, :reactants, :products, + :solvents, ) expose :starting_materials, as: :startingMaterials @@ -36,6 +37,10 @@ def reactants def products materials(:products) end + + def solvents + materials(:solvents) + end end class ReactionVariationPropertyEntity < ApplicationEntity diff --git a/app/packs/src/apps/mydb/elements/details/reactions/variationsTab/ReactionVariations.js b/app/packs/src/apps/mydb/elements/details/reactions/variationsTab/ReactionVariations.js index 10a110d951..1e40748724 100644 --- a/app/packs/src/apps/mydb/elements/details/reactions/variationsTab/ReactionVariations.js +++ b/app/packs/src/apps/mydb/elements/details/reactions/variationsTab/ReactionVariations.js @@ -10,7 +10,7 @@ import { } from 'react-bootstrap'; import _ from 'lodash'; import { - createVariationsRow, temperatureUnits, durationUnits, amountUnits, convertUnit + createVariationsRow, temperatureUnits, durationUnits, massUnits, volumeUnits, convertUnit } from 'src/apps/mydb/elements/details/reactions/variationsTab/ReactionVariationsUtils'; function RowToolsCellRenderer({ data, copyRow, removeRow }) { @@ -223,7 +223,19 @@ export default function ReactionVariations({ reaction, onEditVariations }) { headerName: getMaterialHeaderIdentifier(material, materialHeaderIdentifier) }) ) - } + }, + { + headerName: 'Solvents', + groupId: 'Solvents', + marryChildren: true, + children: reaction.solvents.map( + (material) => ({ + field: `solvents.${material.id}`, + headerName: getMaterialHeaderIdentifier(material, materialHeaderIdentifier), + cellEditorParams: { unitOptions: volumeUnits } + }) + ) + }, ]; return ( @@ -269,7 +281,7 @@ export default function ReactionVariations({ reaction, onEditVariations }) { comparator: cellComparator, cellEditor: CellEditor, cellEditorPopup: true, - cellEditorParams: { unitOptions: amountUnits }, + cellEditorParams: { unitOptions: massUnits }, cellRenderer: CellRenderer, wrapHeaderText: true, autoHeaderHeight: true, diff --git a/app/packs/src/apps/mydb/elements/details/reactions/variationsTab/ReactionVariationsUtils.js b/app/packs/src/apps/mydb/elements/details/reactions/variationsTab/ReactionVariationsUtils.js index a3e89ec570..31be86d7d3 100644 --- a/app/packs/src/apps/mydb/elements/details/reactions/variationsTab/ReactionVariationsUtils.js +++ b/app/packs/src/apps/mydb/elements/details/reactions/variationsTab/ReactionVariationsUtils.js @@ -4,7 +4,8 @@ import { metPreConv as convertAmount } from 'src/utilities/metricPrefix'; const temperatureUnits = ['°C', 'K', '°F']; const durationUnits = ['Second(s)', 'Minute(s)', 'Hour(s)', 'Day(s)', 'Week(s)']; -const amountUnits = ['g', 'mg', 'μg']; +const massUnits = ['mg', 'g', 'μg']; +const volumeUnits = ['ml', 'l', 'μl']; function convertUnit(value, fromUnit, toUnit) { if (temperatureUnits.includes(fromUnit) && temperatureUnits.includes(toUnit)) { @@ -13,16 +14,21 @@ function convertUnit(value, fromUnit, toUnit) { if (durationUnits.includes(fromUnit) && durationUnits.includes(toUnit)) { return convertDuration(value, fromUnit, toUnit); } - if (amountUnits.includes(fromUnit) && amountUnits.includes(toUnit)) { + if (massUnits.includes(fromUnit) && massUnits.includes(toUnit)) { const amountUnitPrefixes = { g: 'n', mg: 'm', μg: 'u' }; return convertAmount(value, amountUnitPrefixes[fromUnit], amountUnitPrefixes[toUnit]); } + if (volumeUnits.includes(fromUnit) && volumeUnits.includes(toUnit)) { + const amountUnitPrefixes = { l: 'n', ml: 'm', μl: 'u' }; + return convertAmount(value, amountUnitPrefixes[fromUnit], amountUnitPrefixes[toUnit]); + } + return value; } function getMaterialData(material) { - const value = material.amount_g ?? null; - const unit = amountUnits[0]; + const value = material.amount_value ?? null; + const unit = material.amount_unit ?? null; const aux = { coefficient: material.coefficient ?? null, isReference: material.reference ?? false, @@ -70,6 +76,8 @@ function createVariationsRow(reaction, id) { reactants: reaction.reactants.reduce((a, v) => ( { ...a, [v.id]: getMaterialData(v) }), {}), products: reaction.products.reduce((a, v) => ( + { ...a, [v.id]: getMaterialData(v) }), {}), + solvents: reaction.solvents.reduce((a, v) => ( { ...a, [v.id]: getMaterialData(v) }), {}) }; return row; @@ -78,7 +86,7 @@ function createVariationsRow(reaction, id) { function removeObsoleteMaterialsFromVariations(variations, currentMaterials) { const updatedVariations = cloneDeep(variations); updatedVariations.forEach((row) => { - ['startingMaterials', 'reactants', 'products'].forEach((materialType) => { + ['startingMaterials', 'reactants', 'products', 'solvents'].forEach((materialType) => { Object.keys(row[materialType]).forEach((materialName) => { if (!currentMaterials[materialType].map((material) => material.id.toString()).includes(materialName)) { delete row[materialType][materialName]; @@ -92,7 +100,7 @@ function removeObsoleteMaterialsFromVariations(variations, currentMaterials) { function addMissingMaterialsToVariations(variations, currentMaterials) { const updatedVariations = cloneDeep(variations); updatedVariations.forEach((row) => { - ['startingMaterials', 'reactants', 'products'].forEach((materialType) => { + ['startingMaterials', 'reactants', 'products', 'solvents'].forEach((materialType) => { currentMaterials[materialType].forEach((material) => { if (!(material.id in row[materialType])) { row[materialType][material.id] = getMaterialData(material); @@ -137,6 +145,7 @@ export { computeYield, temperatureUnits, durationUnits, - amountUnits, + massUnits, + volumeUnits, convertUnit }; diff --git a/app/packs/src/models/Reaction.js b/app/packs/src/models/Reaction.js index 8b2c410392..1dc37ec6f0 100644 --- a/app/packs/src/models/Reaction.js +++ b/app/packs/src/models/Reaction.js @@ -225,7 +225,12 @@ export default class Reaction extends Element { // , "unit": , "aux": {...}}, // : {"value": , "unit": , "aux": {...}}, // ... - // } + // }, + // "solvents": { + // , "unit": , "aux": {...}}, + // : {"value": , "unit": , "aux": {...}}, + // ... + // }, // }, // { // "id": "", @@ -239,7 +244,8 @@ export default class Reaction extends Element { const currentMaterials = { startingMaterials: this.starting_materials, reactants: this.reactants, - products: this.products + products: this.products, + solvents: this.solvents }; // Keep materials up-to-date. Materials could have been added or removed in the scheme tab // (of the reaction detail modal); these changes need to be reflected in the variations. diff --git a/lib/reporter/docx/detail_reaction.rb b/lib/reporter/docx/detail_reaction.rb index b2cdfb2b59..67fbcedc4e 100644 --- a/lib/reporter/docx/detail_reaction.rb +++ b/lib/reporter/docx/detail_reaction.rb @@ -57,6 +57,7 @@ def variations 'duration' => "#{var[:properties][:duration][:value]} #{var[:properties][:duration][:unit]}", 'startingMaterials' => variation_materials(var, :startingMaterials), 'reactants' => variation_materials(var, :reactants), + 'solvents' => variation_materials(var, :solvents), 'products' => variation_products(var), } end diff --git a/lib/template/Standard.docx b/lib/template/Standard.docx index 243a76120fa467a717737de46b1c1f4a06d9b111..cd92d4b3e4503b33e429c1050fb6a51c0b02a6d8 100644 GIT binary patch delta 33411 zcmZtMQ*b6+v@Yr|wr$(CZFihb(y^^h^2N4o+qP{R9otU!zxG+D>RgQ`qceQ+G@Q{Wl&wW`#j 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zV`gxx2OhHy8UA~NQz`6$;afq>fn7kLdrX$2b9I1#qCispErI1h&W%&&EP*9K2Fwx_ z%~4YstbnOOVl7j(t$;~z{$J(MKWgBAH|^APD_}m52>aAkD_~;W|5tbMf13dTEjp#5 zTLbfggt?`vSOW`z6a=NF{@a5#pa7>v;{#)-#-jp*r@mVQQ-hA-{TCug75_iW0rKvt zLlyMqFzPdXF`T|Hhf!S`ebN|Vk;=4OMmwgLuG1ZI8SNPvrZ?m=x-!~NKbFg=3K_Y0 zpUWu5C^(%h59pe0QPW-W7#*1Y#7u9?V^o2ZSJT($F^V!ePCp71kp^c8Mh1qbz||z6 bMOO$QJ)I?=(U#G8x>G)*A)93eP!R(F#y*1l diff --git a/spec/api/entities/reaction_entity_spec.rb b/spec/api/entities/reaction_entity_spec.rb index ca125f7caf..969f96cd03 100644 --- a/spec/api/entities/reaction_entity_spec.rb +++ b/spec/api/entities/reaction_entity_spec.rb @@ -86,7 +86,8 @@ isReference: false, molecularWeight: 700.9154799999998 }, unit: 'g', - value: nil } } }, + value: nil } }, + solvents: {} }, { id: 'd0a7087f-bf1b-479a-b684-783b004ff588', products: { '47': { aux: { yield: '0', purity: 0.29, @@ -149,7 +150,8 @@ isReference: false, molecularWeight: 700.9154799999998 }, unit: 'g', - value: nil } } }], + value: nil } }, + solvents: {} }], ) end diff --git a/spec/javascripts/packs/src/models/Reaction.spec.js b/spec/javascripts/packs/src/models/Reaction.spec.js index a88b9568e3..cde67b5019 100644 --- a/spec/javascripts/packs/src/models/Reaction.spec.js +++ b/spec/javascripts/packs/src/models/Reaction.spec.js @@ -12,7 +12,8 @@ function getReactionMaterials(reaction) { return { startingMaterials: reaction.starting_materials, reactants: reaction.reactants, - products: reaction.products + products: reaction.products, + solvents: reaction.solvents }; }