feat: add conversion rate to reactions samples table and reaction scheme

ComPlat · Oct 14, 2024 · 3f82f54 · 3f82f54
1 parent 8501ec5
commit 3f82f54
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Showing 25 changed files with 276 additions and 104 deletions.
diff --git a/app/api/entities/reaction_material_entity.rb b/app/api/entities/reaction_material_entity.rb
@@ -17,5 +17,6 @@ class ReactionMaterialEntity < ApplicationEntity
     expose! :waste
     expose! :gas_type
     expose! :gas_phase_data
+    expose! :conversion_rate
   end
 end
diff --git a/app/api/helpers/report_helpers.rb b/app/api/helpers/report_helpers.rb
@@ -614,6 +614,7 @@ def build_sql_reaction_sample(columns, c_id, ids, checkedAll = false)
         # reactions_sample:
         equivalent: ['r_s.equivalent', '"r eq"', 10],
         reference: ['r_s.reference', '"r ref"', 10],
+        conversion_rate: ['r_s.conversion_rate', '"r conversion rate"', 10],
       },
       analysis: {
         name: ['anac."name"', '"name"', 10],
@@ -723,6 +724,7 @@ def force_molfile_selection
       equivalent
       reference
       type
+      conversion_rate
     ],
     sample: %i[
       sample_svg_file

diff --git a/app/models/reaction.rb b/app/models/reaction.rb
@@ -36,6 +36,8 @@
 #  variations             :jsonb
 #  plain_text_description :text
 #  plain_text_observation :text
+#  gaseous                :boolean          default(FALSE)
+#  vessel_size            :jsonb
 #
 # Indexes
 #

diff --git a/app/models/reactions_product_sample.rb b/app/models/reactions_product_sample.rb
@@ -2,17 +2,20 @@
 #
 # Table name: reactions_samples
 #
-#  id          :integer          not null, primary key
-#  reaction_id :integer
-#  sample_id   :integer
-#  reference   :boolean
-#  equivalent  :float
-#  position    :integer
-#  type        :string
-#  deleted_at  :datetime
-#  waste       :boolean          default(FALSE)
-#  coefficient :float            default(1.0)
-#  show_label  :boolean          default(FALSE), not null
+#  id                      :integer          not null, primary key
+#  reaction_id             :integer
+#  sample_id               :integer
+#  reference               :boolean
+#  equivalent              :float
+#  position                :integer
+#  type                    :string
+#  deleted_at              :datetime
+#  waste                   :boolean          default(FALSE)
+#  coefficient             :float            default(1.0)
+#  show_label              :boolean          default(FALSE), not null
+#  gas_type                :integer          default("off")
+#  gas_phase_data          :jsonb
+#  conversion_rate         :float
 #
 # Indexes
 #

diff --git a/app/models/reactions_purification_solvent_sample.rb b/app/models/reactions_purification_solvent_sample.rb
@@ -2,17 +2,20 @@
 #
 # Table name: reactions_samples
 #
-#  id          :integer          not null, primary key
-#  reaction_id :integer
-#  sample_id   :integer
-#  reference   :boolean
-#  equivalent  :float
-#  position    :integer
-#  type        :string
-#  deleted_at  :datetime
-#  waste       :boolean          default(FALSE)
-#  coefficient :float            default(1.0)
-#  show_label  :boolean          default(FALSE), not null
+#  id                      :integer          not null, primary key
+#  reaction_id             :integer
+#  sample_id               :integer
+#  reference               :boolean
+#  equivalent              :float
+#  position                :integer
+#  type                    :string
+#  deleted_at              :datetime
+#  waste                   :boolean          default(FALSE)
+#  coefficient             :float            default(1.0)
+#  show_label              :boolean          default(FALSE), not null
+#  gas_type                :integer          default("off")
+#  gas_phase_data          :jsonb
+#  conversion_rate         :float
 #
 # Indexes
 #

diff --git a/app/models/reactions_reactant_sample.rb b/app/models/reactions_reactant_sample.rb
@@ -2,17 +2,20 @@
 #
 # Table name: reactions_samples
 #
-#  id          :integer          not null, primary key
-#  reaction_id :integer
-#  sample_id   :integer
-#  reference   :boolean
-#  equivalent  :float
-#  position    :integer
-#  type        :string
-#  deleted_at  :datetime
-#  waste       :boolean          default(FALSE)
-#  coefficient :float            default(1.0)
-#  show_label  :boolean          default(FALSE), not null
+#  id                      :integer          not null, primary key
+#  reaction_id             :integer
+#  sample_id               :integer
+#  reference               :boolean
+#  equivalent              :float
+#  position                :integer
+#  type                    :string
+#  deleted_at              :datetime
+#  waste                   :boolean          default(FALSE)
+#  coefficient             :float            default(1.0)
+#  show_label              :boolean          default(FALSE), not null
+#  gas_type                :integer          default("off")
+#  gas_phase_data          :jsonb
+#  conversion_rate         :float
 #
 # Indexes
 #

diff --git a/app/models/reactions_sample.rb b/app/models/reactions_sample.rb
@@ -2,17 +2,20 @@
 #
 # Table name: reactions_samples
 #
-#  id          :integer          not null, primary key
-#  reaction_id :integer
-#  sample_id   :integer
-#  reference   :boolean
-#  equivalent  :float
-#  position    :integer
-#  type        :string
-#  deleted_at  :datetime
-#  waste       :boolean          default(FALSE)
-#  coefficient :float            default(1.0)
-#  show_label  :boolean          default(FALSE), not null
+#  id                      :integer          not null, primary key
+#  reaction_id             :integer
+#  sample_id               :integer
+#  reference               :boolean
+#  equivalent              :float
+#  position                :integer
+#  type                    :string
+#  deleted_at              :datetime
+#  waste                   :boolean          default(FALSE)
+#  coefficient             :float            default(1.0)
+#  show_label              :boolean          default(FALSE), not null
+#  gas_type                :integer          default("off")
+#  gas_phase_data          :jsonb
+#  conversion_rate         :float
 #
 # Indexes
 #

diff --git a/app/models/reactions_solvent_sample.rb b/app/models/reactions_solvent_sample.rb
@@ -2,17 +2,20 @@
 #
 # Table name: reactions_samples
 #
-#  id          :integer          not null, primary key
-#  reaction_id :integer
-#  sample_id   :integer
-#  reference   :boolean
-#  equivalent  :float
-#  position    :integer
-#  type        :string
-#  deleted_at  :datetime
-#  waste       :boolean          default(FALSE)
-#  coefficient :float            default(1.0)
-#  show_label  :boolean          default(FALSE), not null
+#  id                      :integer          not null, primary key
+#  reaction_id             :integer
+#  sample_id               :integer
+#  reference               :boolean
+#  equivalent              :float
+#  position                :integer
+#  type                    :string
+#  deleted_at              :datetime
+#  waste                   :boolean          default(FALSE)
+#  coefficient             :float            default(1.0)
+#  show_label              :boolean          default(FALSE), not null
+#  gas_type                :integer          default("off")
+#  gas_phase_data          :jsonb
+#  conversion_rate         :float
 #
 # Indexes
 #

diff --git a/app/models/reactions_starting_material_sample.rb b/app/models/reactions_starting_material_sample.rb
@@ -2,17 +2,20 @@
 #
 # Table name: reactions_samples
 #
-#  id          :integer          not null, primary key
-#  reaction_id :integer
-#  sample_id   :integer
-#  reference   :boolean
-#  equivalent  :float
-#  position    :integer
-#  type        :string
-#  deleted_at  :datetime
-#  waste       :boolean          default(FALSE)
-#  coefficient :float            default(1.0)
-#  show_label  :boolean          default(FALSE), not null
+#  id                      :integer          not null, primary key
+#  reaction_id             :integer
+#  sample_id               :integer
+#  reference               :boolean
+#  equivalent              :float
+#  position                :integer
+#  type                    :string
+#  deleted_at              :datetime
+#  waste                   :boolean          default(FALSE)
+#  coefficient             :float            default(1.0)
+#  show_label              :boolean          default(FALSE), not null
+#  gas_type                :integer          default("off")
+#  gas_phase_data          :jsonb
+#  conversion_rate         :float
 #
 # Indexes
 #

diff --git a/app/packs/src/apps/mydb/elements/details/NumeralInputWithUnitsCompo.js b/app/packs/src/apps/mydb/elements/details/NumeralInputWithUnitsCompo.js
@@ -111,7 +111,7 @@ export default class NumeralInputWithUnitsCompo extends Component {
 
   togglePrefix(currentUnit) {
     const units = ['TON/h', 'TON/m', 'TON/s', '°C', '°F', 'K', 'h', 'm', 's'];
-    const excludedUnits = ['ppm', 'TON'];
+    const excludedUnits = ['ppm', 'TON', '%'];
     const { onMetricsChange, unit } = this.props;
     if (units.includes(currentUnit)) {
       // eslint-disable-next-line no-unused-expressions

diff --git a/app/packs/src/apps/mydb/elements/details/reactions/ReactionDetails.js b/app/packs/src/apps/mydb/elements/details/reactions/ReactionDetails.js
@@ -485,6 +485,8 @@ export default class ReactionDetails extends Component {
             offColor="#d3d3d3"
             tooltipOn="Click to enable Default mode"
             tooltipOff="Click to enable Gas mode"
+            fontSize="14px"
+            fontWeight="normal"
           />
         </div>
       </div>

diff --git a/app/packs/src/apps/mydb/elements/details/reactions/schemeTab/Material.js b/app/packs/src/apps/mydb/elements/details/reactions/schemeTab/Material.js
@@ -123,6 +123,7 @@ class Material extends Component {
     this.gasFieldsUnitsChanged = this.gasFieldsUnitsChanged.bind(this);
     this.handleCoefficientChange = this.handleCoefficientChange.bind(this);
     this.debounceHandleAmountUnitChange = debounce(this.handleAmountUnitChange, 500);
+    this.yieldOrConversionRate = this.yieldOrConversionRate.bind(this);
   }
 
   handleMaterialClick(sample) {
@@ -241,35 +242,65 @@ class Material extends Component {
     return result > 1 ? '100%' : `${(result * 100).toFixed(0)}%`;
   }
 
-  equivalentOrYield(material) {
-    const { reaction, materialGroup } = this.props;
-    if (materialGroup === 'products') {
-      const refMaterial = reaction.getReferenceMaterial();
-      let calculateYield = material.equivalent;
-      if (material.gas_type === 'gas') {
-        calculateYield = this.recalculateYieldForGasProduct(material, reaction);
-      } else if (reaction.hasPolymers()) {
-        calculateYield = `${((material.equivalent || 0) * 100).toFixed(0)}%`;
-      } else if (refMaterial && (refMaterial.decoupled || material.decoupled)) {
-        calculateYield = 'n.a.';
-      } else if (material.purity < 1 && material.equivalent > 1) {
-        calculateYield = `${((material.purity / 100 * (material.amount_g * 1000)) * 100).toFixed(1)}%`;
-      } else {
-        calculateYield = `${((material.equivalent <= 1 ? material.equivalent || 0 : 1) * 100).toFixed(0)}%`;
-      }
+  calculateYield(material, reaction) {
+    const refMaterial = reaction.getReferenceMaterial();
+    let calculateYield = material.equivalent;
+    if (material.gas_type === 'gas') {
+      calculateYield = this.recalculateYieldForGasProduct(material, reaction);
+    } else if (reaction.hasPolymers()) {
+      calculateYield = `${((material.equivalent || 0) * 100).toFixed(0)}%`;
+    } else if (refMaterial && (refMaterial.decoupled || material.decoupled)) {
+      calculateYield = 'n.a.';
+    } else if (material.purity < 1 && material.equivalent > 1) {
+      calculateYield = `${((material.purity / 100 * (material.amount_g * 1000)) * 100).toFixed(1)}%`;
+    } else {
+      calculateYield = `${((material.equivalent <= 1 ? material.equivalent || 0 : 1) * 100).toFixed(0)}%`;
+    }
+    return calculateYield;
+  }
+
+  conversionRateField(material) {
+    const { reaction } = this.props;
+    const condition = material.conversion_rate / 100 > 1;
+    const allowedConversionRateValue = material.conversion_rate && condition
+      ? 100 : material.conversion_rate;
+    return (
+      <div>
+        <NumeralInputWithUnitsCompo
+          precision={4}
+          value={allowedConversionRateValue || 'n.d.'}
+          unit="%"
+          disabled={!permitOn(reaction)}
+          onChange={(e) => this.handleConversionRateChange(e)}
+        />
+      </div>
+    );
+  }
+
+  yieldOrConversionRate(material) {
+    const { reaction, displayYieldField } = this.props;
+    if (displayYieldField) {
       return (
         <div>
           <FormControl
             name="yield"
             type="text"
             bsClass="bs-form--compact form-control"
             bsSize="small"
-            value={calculateYield || 'n.d.'}
+            value={this.calculateYield(material, reaction) || 'n.d.'}
             disabled
           />
         </div>
       );
     }
+    return this.conversionRateField(material);
+  }
+
+  equivalentOrYield(material) {
+    const { materialGroup } = this.props;
+    if (materialGroup === 'products') {
+      return this.yieldOrConversionRate(material);
+    }
     return (
       <NumeralInputWithUnitsCompo
         precision={4}
@@ -520,6 +551,20 @@ class Material extends Component {
     }
   }
 
+  handleConversionRateChange(e) {
+    const { onChange, materialGroup } = this.props;
+    const conversionRate = e.value;
+    if (onChange && e) {
+      const event = {
+        type: 'conversionRateChanged',
+        materialGroup,
+        sampleID: this.materialId(),
+        conversionRate
+      };
+      onChange(event);
+    }
+  }
+
   handleGasFieldsChange(field, e, currentValue) {
     const { materialGroup, onChange } = this.props;
     if (onChange && e.value !== undefined && e.unit !== undefined && e.value !== currentValue) {
@@ -1071,4 +1116,5 @@ Material.propTypes = {
   canDrop: PropTypes.bool,
   isOver: PropTypes.bool,
   lockEquivColumn: PropTypes.bool.isRequired,
+  displayYieldField: PropTypes.bool,
 };