feat: sample types extension - mixtures #2311
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| # frozen_string_literal: true | ||
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| class Micromolecule < ApplicationRecord | ||
| has_many :samples |
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Rails/HasManyOrHasOneDependent: Specify a :dependent option.
| @@ -620,7 +623,7 @@ def set_elem_composition_data d_type, d_values, loading = nil | |||
| end | |||
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| def check_molfile_polymer_section | |||
| return if decoupled | |||
| return if decoupled || sample_type == 'Mixture' | |||
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Metrics/AbcSize: Assignment Branch Condition size for check_molfile_polymer_section is too high. [<9, 40, 12> 42.72/25]
| @@ -620,7 +623,7 @@ def set_elem_composition_data d_type, d_values, loading = nil | |||
| end | |||
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| def check_molfile_polymer_section | |||
| return if decoupled | |||
| return if decoupled || sample_type == 'Mixture' | |||
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Metrics/PerceivedComplexity: Perceived complexity for check_molfile_polymer_section is too high. [12/8]
| @@ -72,6 +72,10 @@ def execute! | |||
| modified_sample = update_existing_sample(sample, fixed_label) | |||
| end | |||
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| if sample.components.present? && sample.sample_type == 'Mixture' | |||
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Metrics/AbcSize: Assignment Branch Condition size for execute! is too high. [<12, 31, 18> 37.8/25]
| @@ -72,6 +72,10 @@ def execute! | |||
| modified_sample = update_existing_sample(sample, fixed_label) | |||
| end | |||
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| if sample.components.present? && sample.sample_type == 'Mixture' | |||
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Metrics/CyclomaticComplexity: Cyclomatic complexity for execute! is too high. [13/7]
| @@ -72,6 +72,10 @@ def execute! | |||
| modified_sample = update_existing_sample(sample, fixed_label) | |||
| end | |||
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| if sample.components.present? && sample.sample_type == 'Mixture' | |||
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Metrics/PerceivedComplexity: Perceived complexity for execute! is too high. [15/8]
| components.each do |component_params| | ||
| molecule_id = component_params[:component_properties][:molecule_id] | ||
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| component = Component.where("sample_id = ? AND CAST(component_properties ->> 'molecule_id' AS INTEGER) = ?", sample_id, molecule_id) |
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Layout/LineLength: Line is too long. [142/120]
PiTrem
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- set env variables in the docker-compose.dev.yml to allow using - prebuild images for the app and skip the building process - distinct postgres images - distinct named volume for the db and homedir(asdf, gems, etc) - add .dockerenv.example file to help settings those variables example ``` docker compose -f docker-compose.dev.yml --env-file .dockerenv.example up ``` - rework the preparation scripts to better separate node packages installation from ruby env installation. so that `yarn install` is only run by the js container - introduce FULL_BUILD BRANCH args for preparing the dev docker image with preinstalled gems and nodejs packages for a given branch from complat/chemotion_ELN - add optional var RAKE_DB_MIGRATE to run db:migrate instead of db:setup (see .dockerenv.example)
- add micromolecules table - add components table - modify samples table
- add micromolecules model - add components model - modify samples model feat: add/modify required APIs - add components APIs - modify samples APIs
- add ComponentsFetcher - add Component model - modify Sample model - add ComponentActions - modify ElementActions - add ComponentStore - modify ElementStore test: add test codes for Component model
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| } | ||
| end | ||
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| it 'updates an existing component' do |
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RSpec/MultipleExpectations: Example has too many expectations [4/3].
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added 2 commits
February 17, 2025 14:25
- add select sample type dropdown - add component table header - add liquid components section - add liquid components calculations - add solid components section - add solid components calculations - drag and drop samples in mixture comps table - do not render structure editor & cas fast input for mixtures - move component between tables - option to merge components - calculate total MW for mixtures & use in reaction table - mixture samples in reactions scheme - solvent volume column only for mixture samples - add the preview image to component in mixtures - modified the calculations related to various fields - added the field for required total volume - modified the structure of the solid components table - import the molarity value from sample in drag-n-drop into component - when Target Concentration is updated, then Amount and Volume gets recalculated - re-calculate amount_mol and related attributes, when Purity is updated - add the functionality to lock concentration for multiple components - when there is Total Conc. and amount, then the total volume is calculated - fix the amount_mol calculations to use the density or stock - disable the lock concentration button, if it is 0 - lock the Ratio when total conc. is locked - fix the tooltip buttons - show indication in the sample list if the sample is a mixture - split sample with components - though a field is locked it should be possible to change the unit multiplier fix (UI): cannot create a single molecule fix: issue with the Amount field not being set for mixture components fix: fetching of components after fetching the sample causing the sample appear as edited fix: input fields CSS fix: sample type selection input field test: added test codes refactor: code refactor: eslint warnings refactor: moved packs/src files to javascript directory
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feat: add/modify required database tables
feat: add/modify required models
feat: Add/modify fetcher, actions, stores, and model
feat (UI): add mixture components table with calculations
Documentation: here
mixture_demo-1.mp4
mixture_demo-2.mp4