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Sample types extension updates #2058

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Sample types extension updates #2058

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TasnimMehzabin
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refactor: eslint warnings
feat: add density field for the solid components in mixtures
feat: add tooltip text for the "Total volume" field for Mixture
fix: fetching of components after fetching the sample causing the sample to appear as edited
fix (UI): cannot create a single molecule

PiTrem added a commit that referenced this pull request Aug 6, 2024
@PiTrem
feat: Sample types extension updates #2058
78639e8 
Squashed commit of the following:

commit 0c9b13a
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 16:18:52 2024 +0200

    refactor: eslint warnings

commit 8c59c36
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 15:45:56 2024 +0200

    feat: add density field for the solid components in mixtures

commit b3c2ef1
Author: Tasnim Mehzabin <[email protected]>
Date:   Mon Jul 29 15:59:02 2024 +0200

    feat: add tooltip text for the "Total volume" field for Mixture

commit 52ee524
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Jul 23 16:05:37 2024 +0200

    fix: fetching of components after fetching the sample causing the sample appear as edited

commit 698bcab
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Jul 23 13:42:38 2024 +0200

    fix (UI): cannot create a single molecule

commit 7b04874
Author: fathia <[email protected]>
Date:   Thu Jun 20 12:08:00 2024 +0000

    disable savebtn for mixtures with 0 components

commit ce423c4
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 16:49:08 2024 +0200

    fix: solvent volume column only for mixture samples

commit 514c216
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 15:38:20 2024 +0200

    fix: fix update ratio

commit e51a82a
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 09:24:45 2024 +0200

    fix: fix ratio after setting purity

commit 209d730
Author: fathia <[email protected]>
Date:   Tue Jun 18 14:28:08 2024 +0000

    feat: comp. table calculations with purity

commit 9123440
Author: fathia <[email protected]>
Date:   Tue Jun 18 08:24:27 2024 +0000

    fix: update volume of a comp with a density in reactions table.

commit d273142
Author: Fathia Idiris <[email protected]>
Date:   Mon Jun 17 16:56:42 2024 +0200

    feat: comp. table calculations handles density & add purity field

commit e58dde6
Author: fathia <[email protected]>
Date:   Tue Jun 11 07:36:04 2024 +0000

    refactor: save/update components api endpoint

commit 96014bf
Author: fathia <[email protected]>
Date:   Mon Jun 10 09:43:17 2024 +0000

    fix: blank screen with get reference molarity val

commit 97d3bdc
Author: fathia <[email protected]>
Date:   Wed Jun 5 14:23:26 2024 +0000

    fix: fix display svg image before saving sample

commit 2a374af
Author: fathia <[email protected]>
Date:   Wed Jun 5 12:21:07 2024 +0000

    feat: mixture samples in reactions scheme

commit 085c451
Author: fathia <[email protected]>
Date:   Mon Jun 3 14:19:39 2024 +0000

    refactor: enable chem identifiers & correct sample types dropdown

commit 7cbdba8
Author: fathia <[email protected]>
Date:   Mon Jun 3 14:13:38 2024 +0000

    refactor: remove add component sample button

commit d2c14cd
Author: fathia <[email protected]>
Date:   Mon Jun 3 08:43:57 2024 +0000

    feat: calculate total MW for mixtures & use in reaction table

commit 2b29fab
Author: fathia <[email protected]>
Date:   Wed May 29 07:29:23 2024 +0000

    chore: remove unused files

commit c8edca7
Author: fathia <[email protected]>
Date:   Wed May 29 07:27:22 2024 +0000

    fix rebase error

commit d51c61d
Author: fathia <[email protected]>
Date:   Wed May 29 06:37:43 2024 +0000

    fix: fix set default reference component

commit 7365ef7
Author: fathia <[email protected]>
Date:   Fri May 24 13:52:29 2024 +0000

    feat: option to merge components

commit e15e3a5
Author: fathia <[email protected]>
Date:   Thu May 16 14:29:07 2024 +0000

    fix: fix create sample for mixture & store molfile

commit 489b74b
Author: fathia <[email protected]>
Date:   Thu May 16 13:46:50 2024 +0000

    feat: allow users to adjust comp. ratios

commit 5971234
Author: fathia <[email protected]>
Date:   Wed May 15 14:19:54 2024 +0000

    refactor: rename labels and fix alignments in UI

commit 886988a
Author: fathia <[email protected]>
Date:   Mon May 13 09:24:26 2024 +0000

    fix: move component between tables

commit 75afa87
Author: fathia <[email protected]>
Date:   Fri May 10 13:56:21 2024 +0000

    feat: two tables for mixture components

commit b523999
Author: fathia <[email protected]>
Date:   Tue May 7 12:56:42 2024 +0000

    feat: add component label/name text field

commit 047300d
Author: fathia <[email protected]>
Date:   Tue May 7 07:36:49 2024 +0000

    refactor: change class name to avoid conflicts with react component

commit 1d310e3
Author: fathia <[email protected]>
Date:   Mon May 6 15:00:11 2024 +0000

    refactor: handle components in sample subclass

commit 568f0bf
Author: fathia <[email protected]>
Date:   Fri May 3 14:17:06 2024 +0000

    refactor: separate reaction materials & components

commit 9adb2c2
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 30 17:11:17 2024 +0200

    feat: switch between set amount & set conc in comp table

commit d9fef47
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 30 14:48:30 2024 +0200

    refactor: stricter validation in save/update components endpoint

commit e607ecc
Author: Fathia Idiris <[email protected]>
Date:   Fri Apr 26 16:13:35 2024 +0200

    feat: swap positions of comps in table

commit 5f7c482
Author: Fathia Idiris <[email protected]>
Date:   Thu Apr 25 17:18:21 2024 +0200

    feat: drag n drop mixture into another mixture

commit eee87e8
Author: fathia <[email protected]>
Date:   Wed Apr 24 13:59:14 2024 +0000

    chore: remove old migrations

commit 163f7f1
Author: fathia <[email protected]>
Date:   Wed Apr 24 13:39:04 2024 +0000

    feat: fetch and update components

commit 5cac26c
Author: fathia <[email protected]>
Date:   Fri Apr 19 14:30:36 2024 +0000

    refactor: remove redundant code & change names

commit 2af7955
Author: fathia <[email protected]>
Date:   Thu Apr 18 14:23:44 2024 +0000

    feat: add components fetcher and api

commit 5e2e7ca
Author: fathia <[email protected]>
Date:   Thu Apr 18 09:16:51 2024 +0000

    refactor: store components in a separate table

commit f88ab26
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 16 15:39:20 2024 +0200

    feat: update smiles when a new comp is added via dragndrop

commit d244a61
Author: fathia <[email protected]>
Date:   Mon Apr 8 14:22:29 2024 +0000

    wip: split image by SMILES and store ket file

commit 532335c
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 2 15:22:28 2024 +0200

    fix: update comp volumes when total vol is updated & fix solv ratio

commit 85fbeca
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 2 10:48:04 2024 +0200

    fix: store stock molarity of each component

commit 81e1065
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 16:21:49 2024 +0100

    fix: component ratio calculation

commit 8de85e7
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 12:31:31 2024 +0100

    Feat: calculate amount of component required from target conc & volume

commit 2f5ed9b
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 11:53:49 2024 +0100

    feat: add solvent volume

commit 2629781
Author: Fathia Idiris <[email protected]>
Date:   Fri Mar 22 16:49:40 2024 +0100

    fix: fix update mixture samples and re-enable inventory label

commit 99100c7
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 21 17:46:09 2024 +0100

    feat: reconstruct RXN when the components list is updated

commit 6985bb7
Author: fathia <[email protected]>
Date:   Tue Mar 19 15:29:17 2024 +0000

    WIP: new sample from img instead of subsample

commit e79a71d
Author: fathia <[email protected]>
Date:   Mon Mar 18 14:31:08 2024 +0000

    refactor: splitmolfile and combine svg fetch calls

commit 6eb1227
Author: fathia <[email protected]>
Date:   Mon Mar 18 10:43:04 2024 +0000

    fix: fix missing C-bonds and order of fetch calls

commit f27bb28
Author: fathia <[email protected]>
Date:   Thu Mar 14 15:19:03 2024 +0000

    WIP: render combined sample svg w/o reaction arrow

commit 4b10f2a
Author: fathia <[email protected]>
Date:   Thu Mar 14 10:11:34 2024 +0000

    split Ketcher 2 rxn file into subsamples

commit 2b38280
Author: fathia <[email protected]>
Date:   Tue Mar 12 15:01:21 2024 +0000

    wip: split rxn file into mixture subsamples

commit d52d94f
Author: fathia <[email protected]>
Date:   Thu Mar 7 13:45:29 2024 +0000

    refactor: separate show reaction & show mixture material

commit c4dae18
Author: fathia <[email protected]>
Date:   Wed Mar 6 13:22:28 2024 +0000

    fix: fix url when clicking on a mixture component

commit 5bd89b9
Author: fathia <[email protected]>
Date:   Tue Mar 5 14:30:54 2024 +0000

    refactor: Hide unnecessary sections, improve table alignment, display parent sample short label

commit d663196
Author: fathia <[email protected]>
Date:   Mon Mar 4 14:40:51 2024 +0000

    hide subsamples in elements list & show stock sample on click material

commit 2265fca
Author: fathia <[email protected]>
Date:   Mon Mar 4 12:26:41 2024 +0000

    refactor: add sample to mixture via add sample btn

commit 38fc91a
Author: fathia <[email protected]>
Date:   Fri Mar 1 13:33:31 2024 +0000

    fix: update sample endpoint

commit d8f9ee6
Author: fathia <[email protected]>
Date:   Fri Mar 1 10:02:05 2024 +0000

    fix: reopen mixture sample after saving

commit f1c32a1
Author: fathia <[email protected]>
Date:   Thu Feb 29 08:29:52 2024 +0000

    fix: fix create mixture comp subsamples

commit 733173c
Author: fathia <[email protected]>
Date:   Wed Feb 28 10:08:03 2024 +0000

    fix: fix save stock & add sample type name attr.

commit b1e36c4
Author: fathia <[email protected]>
Date:   Tue Feb 27 09:39:20 2024 +0000

    fix: create button enabled for mixtures with comps

commit fcd184d
Author: fathia <[email protected]>
Date:   Tue Feb 27 09:29:52 2024 +0000

    fix: new comp short label  same as mixture label

commit a86f9ce
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 26 17:01:26 2024 +0100

    do not render structure editor & cas fast input for mixtures

commit f17169f
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 26 14:56:59 2024 +0100

    fix: disable unnecessary 'dropmaterial'

commit c9ab74b
Author: fathia <[email protected]>
Date:   Fri Feb 23 13:12:34 2024 +0000

    fix: add mixture component via add sample button

commit c8e2598
Author: fathia <[email protected]>
Date:   Fri Feb 23 08:31:24 2024 +0000

    fix: remove molarity and density tooltip

commit 101c04e
Author: fathia <[email protected]>
Date:   Thu Feb 22 15:01:51 2024 +0000

    feat: component table calculations

commit 39fd089
Author: fathia <[email protected]>
Date:   Wed Feb 21 15:16:04 2024 +0000

    fix: drag and drop samples in mixture comps table

commit 8bf29bc
Author: fathia <[email protected]>
Date:   Wed Feb 21 10:32:17 2024 +0000

    handle sample type changes

commit 87769e6
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 19 16:42:49 2024 +0100

    feat: add mixture components table in UI

commit 22d229c
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 19 11:17:09 2024 +0100

    feat: add select sample type dropdown

commit 2847ecb
Author: fathia <[email protected]>
Date:   Thu Feb 15 14:40:49 2024 +0000

    save mixture comps as subsample of stock solution

commit c07885d
Author: fathia <[email protected]>
Date:   Wed Feb 14 09:41:10 2024 +0000

    update sample types after create sample

commit 34ffaea
Author: fathia <[email protected]>
Date:   Tue Feb 13 09:48:37 2024 +0000

    remove outdated migration files

commit 05599d9
Author: fathia <[email protected]>
Date:   Mon Jan 29 15:29:19 2024 +0000

    refactor: refactor sample type models

commit 93825c6
Author: fathia <[email protected]>
Date:   Tue Jan 23 14:32:05 2024 +0000

    create sample mixture and sample components

commit 47bf220
Author: fathia <[email protected]>
Date:   Tue Jan 23 10:04:59 2024 +0000

    refactor: mixtures and components model

commit 6afa120
Author: fathia <[email protected]>
Date:   Mon Jan 22 14:10:58 2024 +0000

    create micromolecule by default & move fields

commit 7783241
Author: fathia <[email protected]>
Date:   Fri Jan 19 10:03:13 2024 +0000

    refactor: refactor mixture associations

commit 06766c9
Author: fathia <[email protected]>
Date:   Thu Jan 18 15:23:10 2024 +0000

    split sample model into micromolecule and mixture

Conflicts:
	app/packs/src/apps/mydb/elements/details/NumeralInputWithUnitsCompo.js
	app/packs/src/apps/mydb/elements/details/reactions/schemeTab/ReactionDetailsScheme.js
	db/schema.rb
@TasnimMehzabin TasnimMehzabin marked this pull request as draft August 7, 2024 11:27
PiTrem added a commit that referenced this pull request Aug 7, 2024
@PiTrem
feat: Sample types extension updates #2058
ad51460 
Squashed commit of the following:

commit 9922e1b
Author: Tasnim Mehzabin <[email protected]>
Date:   Wed Aug 7 16:37:53 2024 +0200

    fix: issue with the Amount field not being set for mixture components
    feat: calculate other fields based on the Amount field
    fix: the Volume column being updated though it has been locked

commit 13cdb86
Author: Tasnim Mehzabin <[email protected]>
Date:   Wed Aug 7 15:13:08 2024 +0200

    feat: add the preview image to component in mixtures

commit 36c0fae
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 16:18:52 2024 +0200

    refactor: eslint warnings

commit 0c9b13a
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 16:18:52 2024 +0200

    refactor: eslint warnings

commit 8c59c36
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 15:45:56 2024 +0200

    feat: add density field for the solid components in mixtures

commit b3c2ef1
Author: Tasnim Mehzabin <[email protected]>
Date:   Mon Jul 29 15:59:02 2024 +0200

    feat: add tooltip text for the "Total volume" field for Mixture

commit 52ee524
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Jul 23 16:05:37 2024 +0200

    fix: fetching of components after fetching the sample causing the sample appear as edited

commit 698bcab
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Jul 23 13:42:38 2024 +0200

    fix (UI): cannot create a single molecule

commit 7b04874
Author: fathia <[email protected]>
Date:   Thu Jun 20 12:08:00 2024 +0000

    disable savebtn for mixtures with 0 components

commit ce423c4
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 16:49:08 2024 +0200

    fix: solvent volume column only for mixture samples

commit 514c216
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 15:38:20 2024 +0200

    fix: fix update ratio

commit e51a82a
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 09:24:45 2024 +0200

    fix: fix ratio after setting purity

commit 209d730
Author: fathia <[email protected]>
Date:   Tue Jun 18 14:28:08 2024 +0000

    feat: comp. table calculations with purity

commit 9123440
Author: fathia <[email protected]>
Date:   Tue Jun 18 08:24:27 2024 +0000

    fix: update volume of a comp with a density in reactions table.

commit d273142
Author: Fathia Idiris <[email protected]>
Date:   Mon Jun 17 16:56:42 2024 +0200

    feat: comp. table calculations handles density & add purity field

commit e58dde6
Author: fathia <[email protected]>
Date:   Tue Jun 11 07:36:04 2024 +0000

    refactor: save/update components api endpoint

commit 96014bf
Author: fathia <[email protected]>
Date:   Mon Jun 10 09:43:17 2024 +0000

    fix: blank screen with get reference molarity val

commit 97d3bdc
Author: fathia <[email protected]>
Date:   Wed Jun 5 14:23:26 2024 +0000

    fix: fix display svg image before saving sample

commit 2a374af
Author: fathia <[email protected]>
Date:   Wed Jun 5 12:21:07 2024 +0000

    feat: mixture samples in reactions scheme

commit 085c451
Author: fathia <[email protected]>
Date:   Mon Jun 3 14:19:39 2024 +0000

    refactor: enable chem identifiers & correct sample types dropdown

commit 7cbdba8
Author: fathia <[email protected]>
Date:   Mon Jun 3 14:13:38 2024 +0000

    refactor: remove add component sample button

commit d2c14cd
Author: fathia <[email protected]>
Date:   Mon Jun 3 08:43:57 2024 +0000

    feat: calculate total MW for mixtures & use in reaction table

commit 2b29fab
Author: fathia <[email protected]>
Date:   Wed May 29 07:29:23 2024 +0000

    chore: remove unused files

commit c8edca7
Author: fathia <[email protected]>
Date:   Wed May 29 07:27:22 2024 +0000

    fix rebase error

commit d51c61d
Author: fathia <[email protected]>
Date:   Wed May 29 06:37:43 2024 +0000

    fix: fix set default reference component

commit 7365ef7
Author: fathia <[email protected]>
Date:   Fri May 24 13:52:29 2024 +0000

    feat: option to merge components

commit e15e3a5
Author: fathia <[email protected]>
Date:   Thu May 16 14:29:07 2024 +0000

    fix: fix create sample for mixture & store molfile

commit 489b74b
Author: fathia <[email protected]>
Date:   Thu May 16 13:46:50 2024 +0000

    feat: allow users to adjust comp. ratios

commit 5971234
Author: fathia <[email protected]>
Date:   Wed May 15 14:19:54 2024 +0000

    refactor: rename labels and fix alignments in UI

commit 886988a
Author: fathia <[email protected]>
Date:   Mon May 13 09:24:26 2024 +0000

    fix: move component between tables

commit 75afa87
Author: fathia <[email protected]>
Date:   Fri May 10 13:56:21 2024 +0000

    feat: two tables for mixture components

commit b523999
Author: fathia <[email protected]>
Date:   Tue May 7 12:56:42 2024 +0000

    feat: add component label/name text field

commit 047300d
Author: fathia <[email protected]>
Date:   Tue May 7 07:36:49 2024 +0000

    refactor: change class name to avoid conflicts with react component

commit 1d310e3
Author: fathia <[email protected]>
Date:   Mon May 6 15:00:11 2024 +0000

    refactor: handle components in sample subclass

commit 568f0bf
Author: fathia <[email protected]>
Date:   Fri May 3 14:17:06 2024 +0000

    refactor: separate reaction materials & components

commit 9adb2c2
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 30 17:11:17 2024 +0200

    feat: switch between set amount & set conc in comp table

commit d9fef47
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 30 14:48:30 2024 +0200

    refactor: stricter validation in save/update components endpoint

commit e607ecc
Author: Fathia Idiris <[email protected]>
Date:   Fri Apr 26 16:13:35 2024 +0200

    feat: swap positions of comps in table

commit 5f7c482
Author: Fathia Idiris <[email protected]>
Date:   Thu Apr 25 17:18:21 2024 +0200

    feat: drag n drop mixture into another mixture

commit eee87e8
Author: fathia <[email protected]>
Date:   Wed Apr 24 13:59:14 2024 +0000

    chore: remove old migrations

commit 163f7f1
Author: fathia <[email protected]>
Date:   Wed Apr 24 13:39:04 2024 +0000

    feat: fetch and update components

commit 5cac26c
Author: fathia <[email protected]>
Date:   Fri Apr 19 14:30:36 2024 +0000

    refactor: remove redundant code & change names

commit 2af7955
Author: fathia <[email protected]>
Date:   Thu Apr 18 14:23:44 2024 +0000

    feat: add components fetcher and api

commit 5e2e7ca
Author: fathia <[email protected]>
Date:   Thu Apr 18 09:16:51 2024 +0000

    refactor: store components in a separate table

commit f88ab26
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 16 15:39:20 2024 +0200

    feat: update smiles when a new comp is added via dragndrop

commit d244a61
Author: fathia <[email protected]>
Date:   Mon Apr 8 14:22:29 2024 +0000

    wip: split image by SMILES and store ket file

commit 532335c
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 2 15:22:28 2024 +0200

    fix: update comp volumes when total vol is updated & fix solv ratio

commit 85fbeca
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 2 10:48:04 2024 +0200

    fix: store stock molarity of each component

commit 81e1065
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 16:21:49 2024 +0100

    fix: component ratio calculation

commit 8de85e7
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 12:31:31 2024 +0100

    Feat: calculate amount of component required from target conc & volume

commit 2f5ed9b
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 11:53:49 2024 +0100

    feat: add solvent volume

commit 2629781
Author: Fathia Idiris <[email protected]>
Date:   Fri Mar 22 16:49:40 2024 +0100

    fix: fix update mixture samples and re-enable inventory label

commit 99100c7
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 21 17:46:09 2024 +0100

    feat: reconstruct RXN when the components list is updated

commit 6985bb7
Author: fathia <[email protected]>
Date:   Tue Mar 19 15:29:17 2024 +0000

    WIP: new sample from img instead of subsample

commit e79a71d
Author: fathia <[email protected]>
Date:   Mon Mar 18 14:31:08 2024 +0000

    refactor: splitmolfile and combine svg fetch calls

commit 6eb1227
Author: fathia <[email protected]>
Date:   Mon Mar 18 10:43:04 2024 +0000

    fix: fix missing C-bonds and order of fetch calls

commit f27bb28
Author: fathia <[email protected]>
Date:   Thu Mar 14 15:19:03 2024 +0000

    WIP: render combined sample svg w/o reaction arrow

commit 4b10f2a
Author: fathia <[email protected]>
Date:   Thu Mar 14 10:11:34 2024 +0000

    split Ketcher 2 rxn file into subsamples

commit 2b38280
Author: fathia <[email protected]>
Date:   Tue Mar 12 15:01:21 2024 +0000

    wip: split rxn file into mixture subsamples

commit d52d94f
Author: fathia <[email protected]>
Date:   Thu Mar 7 13:45:29 2024 +0000

    refactor: separate show reaction & show mixture material

commit c4dae18
Author: fathia <[email protected]>
Date:   Wed Mar 6 13:22:28 2024 +0000

    fix: fix url when clicking on a mixture component

commit 5bd89b9
Author: fathia <[email protected]>
Date:   Tue Mar 5 14:30:54 2024 +0000

    refactor: Hide unnecessary sections, improve table alignment, display parent sample short label

commit d663196
Author: fathia <[email protected]>
Date:   Mon Mar 4 14:40:51 2024 +0000

    hide subsamples in elements list & show stock sample on click material

commit 2265fca
Author: fathia <[email protected]>
Date:   Mon Mar 4 12:26:41 2024 +0000

    refactor: add sample to mixture via add sample btn

commit 38fc91a
Author: fathia <[email protected]>
Date:   Fri Mar 1 13:33:31 2024 +0000

    fix: update sample endpoint

commit d8f9ee6
Author: fathia <[email protected]>
Date:   Fri Mar 1 10:02:05 2024 +0000

    fix: reopen mixture sample after saving

commit f1c32a1
Author: fathia <[email protected]>
Date:   Thu Feb 29 08:29:52 2024 +0000

    fix: fix create mixture comp subsamples

commit 733173c
Author: fathia <[email protected]>
Date:   Wed Feb 28 10:08:03 2024 +0000

    fix: fix save stock & add sample type name attr.

commit b1e36c4
Author: fathia <[email protected]>
Date:   Tue Feb 27 09:39:20 2024 +0000

    fix: create button enabled for mixtures with comps

commit fcd184d
Author: fathia <[email protected]>
Date:   Tue Feb 27 09:29:52 2024 +0000

    fix: new comp short label  same as mixture label

commit a86f9ce
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 26 17:01:26 2024 +0100

    do not render structure editor & cas fast input for mixtures

commit f17169f
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 26 14:56:59 2024 +0100

    fix: disable unnecessary 'dropmaterial'

commit c9ab74b
Author: fathia <[email protected]>
Date:   Fri Feb 23 13:12:34 2024 +0000

    fix: add mixture component via add sample button

commit c8e2598
Author: fathia <[email protected]>
Date:   Fri Feb 23 08:31:24 2024 +0000

    fix: remove molarity and density tooltip

commit 101c04e
Author: fathia <[email protected]>
Date:   Thu Feb 22 15:01:51 2024 +0000

    feat: component table calculations

commit 39fd089
Author: fathia <[email protected]>
Date:   Wed Feb 21 15:16:04 2024 +0000

    fix: drag and drop samples in mixture comps table

commit 8bf29bc
Author: fathia <[email protected]>
Date:   Wed Feb 21 10:32:17 2024 +0000

    handle sample type changes

commit 87769e6
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 19 16:42:49 2024 +0100

    feat: add mixture components table in UI

commit 22d229c
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 19 11:17:09 2024 +0100

    feat: add select sample type dropdown

commit 2847ecb
Author: fathia <[email protected]>
Date:   Thu Feb 15 14:40:49 2024 +0000

    save mixture comps as subsample of stock solution

commit c07885d
Author: fathia <[email protected]>
Date:   Wed Feb 14 09:41:10 2024 +0000

    update sample types after create sample

commit 34ffaea
Author: fathia <[email protected]>
Date:   Tue Feb 13 09:48:37 2024 +0000

    remove outdated migration files

commit 05599d9
Author: fathia <[email protected]>
Date:   Mon Jan 29 15:29:19 2024 +0000

    refactor: refactor sample type models

commit 93825c6
Author: fathia <[email protected]>
Date:   Tue Jan 23 14:32:05 2024 +0000

    create sample mixture and sample components

commit 47bf220
Author: fathia <[email protected]>
Date:   Tue Jan 23 10:04:59 2024 +0000

    refactor: mixtures and components model

commit 6afa120
Author: fathia <[email protected]>
Date:   Mon Jan 22 14:10:58 2024 +0000

    create micromolecule by default & move fields

commit 7783241
Author: fathia <[email protected]>
Date:   Fri Jan 19 10:03:13 2024 +0000

    refactor: refactor mixture associations

commit 06766c9
Author: fathia <[email protected]>
Date:   Thu Jan 18 15:23:10 2024 +0000

    split sample model into micromolecule and mixture
PiTrem added a commit that referenced this pull request Aug 16, 2024
@PiTrem
This is the commit message #2:
f6e57a7 
fix: component table header updated
feat: add tooltip text for total conc.
refactor: eslint warnings

 This is the commit message #3:

feat: change component table for liquid components

 This is the commit message #4:

feat: change component table for liquid components
when volume given, calculate the amount
when amount is given, calculate the volume
handle the calculation when the starting conc. or density being locked
reset the entire row when starting conc. or density is updated

feat: Sample types extension updates #2058
Squashed commit of the following:

commit 9922e1b
Author: Tasnim Mehzabin <[email protected]>
Date:   Wed Aug 7 16:37:53 2024 +0200

    fix: issue with the Amount field not being set for mixture components
    feat: calculate other fields based on the Amount field
    fix: the Volume column being updated though it has been locked

commit 13cdb86
Author: Tasnim Mehzabin <[email protected]>
Date:   Wed Aug 7 15:13:08 2024 +0200

    feat: add the preview image to component in mixtures

commit 36c0fae
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 16:18:52 2024 +0200

    refactor: eslint warnings

commit 0c9b13a
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 16:18:52 2024 +0200

    refactor: eslint warnings

commit 8c59c36
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 15:45:56 2024 +0200

    feat: add density field for the solid components in mixtures

commit b3c2ef1
Author: Tasnim Mehzabin <[email protected]>
Date:   Mon Jul 29 15:59:02 2024 +0200

    feat: add tooltip text for the "Total volume" field for Mixture

commit 52ee524
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Jul 23 16:05:37 2024 +0200

    fix: fetching of components after fetching the sample causing the sample appear as edited

commit 698bcab
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Jul 23 13:42:38 2024 +0200

    fix (UI): cannot create a single molecule

commit 7b04874
Author: fathia <[email protected]>
Date:   Thu Jun 20 12:08:00 2024 +0000

    disable savebtn for mixtures with 0 components

commit ce423c4
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 16:49:08 2024 +0200

    fix: solvent volume column only for mixture samples

commit 514c216
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 15:38:20 2024 +0200

    fix: fix update ratio

commit e51a82a
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 09:24:45 2024 +0200

    fix: fix ratio after setting purity

commit 209d730
Author: fathia <[email protected]>
Date:   Tue Jun 18 14:28:08 2024 +0000

    feat: comp. table calculations with purity

commit 9123440
Author: fathia <[email protected]>
Date:   Tue Jun 18 08:24:27 2024 +0000

    fix: update volume of a comp with a density in reactions table.

commit d273142
Author: Fathia Idiris <[email protected]>
Date:   Mon Jun 17 16:56:42 2024 +0200

    feat: comp. table calculations handles density & add purity field

commit e58dde6
Author: fathia <[email protected]>
Date:   Tue Jun 11 07:36:04 2024 +0000

    refactor: save/update components api endpoint

commit 96014bf
Author: fathia <[email protected]>
Date:   Mon Jun 10 09:43:17 2024 +0000

    fix: blank screen with get reference molarity val

commit 97d3bdc
Author: fathia <[email protected]>
Date:   Wed Jun 5 14:23:26 2024 +0000

    fix: fix display svg image before saving sample

commit 2a374af
Author: fathia <[email protected]>
Date:   Wed Jun 5 12:21:07 2024 +0000

    feat: mixture samples in reactions scheme

commit 085c451
Author: fathia <[email protected]>
Date:   Mon Jun 3 14:19:39 2024 +0000

    refactor: enable chem identifiers & correct sample types dropdown

commit 7cbdba8
Author: fathia <[email protected]>
Date:   Mon Jun 3 14:13:38 2024 +0000

    refactor: remove add component sample button

commit d2c14cd
Author: fathia <[email protected]>
Date:   Mon Jun 3 08:43:57 2024 +0000

    feat: calculate total MW for mixtures & use in reaction table

commit 2b29fab
Author: fathia <[email protected]>
Date:   Wed May 29 07:29:23 2024 +0000

    chore: remove unused files

commit c8edca7
Author: fathia <[email protected]>
Date:   Wed May 29 07:27:22 2024 +0000

    fix rebase error

commit d51c61d
Author: fathia <[email protected]>
Date:   Wed May 29 06:37:43 2024 +0000

    fix: fix set default reference component

commit 7365ef7
Author: fathia <[email protected]>
Date:   Fri May 24 13:52:29 2024 +0000

    feat: option to merge components

commit e15e3a5
Author: fathia <[email protected]>
Date:   Thu May 16 14:29:07 2024 +0000

    fix: fix create sample for mixture & store molfile

commit 489b74b
Author: fathia <[email protected]>
Date:   Thu May 16 13:46:50 2024 +0000

    feat: allow users to adjust comp. ratios

commit 5971234
Author: fathia <[email protected]>
Date:   Wed May 15 14:19:54 2024 +0000

    refactor: rename labels and fix alignments in UI

commit 886988a
Author: fathia <[email protected]>
Date:   Mon May 13 09:24:26 2024 +0000

    fix: move component between tables

commit 75afa87
Author: fathia <[email protected]>
Date:   Fri May 10 13:56:21 2024 +0000

    feat: two tables for mixture components

commit b523999
Author: fathia <[email protected]>
Date:   Tue May 7 12:56:42 2024 +0000

    feat: add component label/name text field

commit 047300d
Author: fathia <[email protected]>
Date:   Tue May 7 07:36:49 2024 +0000

    refactor: change class name to avoid conflicts with react component

commit 1d310e3
Author: fathia <[email protected]>
Date:   Mon May 6 15:00:11 2024 +0000

    refactor: handle components in sample subclass

commit 568f0bf
Author: fathia <[email protected]>
Date:   Fri May 3 14:17:06 2024 +0000

    refactor: separate reaction materials & components

commit 9adb2c2
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 30 17:11:17 2024 +0200

    feat: switch between set amount & set conc in comp table

commit d9fef47
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 30 14:48:30 2024 +0200

    refactor: stricter validation in save/update components endpoint

commit e607ecc
Author: Fathia Idiris <[email protected]>
Date:   Fri Apr 26 16:13:35 2024 +0200

    feat: swap positions of comps in table

commit 5f7c482
Author: Fathia Idiris <[email protected]>
Date:   Thu Apr 25 17:18:21 2024 +0200

    feat: drag n drop mixture into another mixture

commit eee87e8
Author: fathia <[email protected]>
Date:   Wed Apr 24 13:59:14 2024 +0000

    chore: remove old migrations

commit 163f7f1
Author: fathia <[email protected]>
Date:   Wed Apr 24 13:39:04 2024 +0000

    feat: fetch and update components

commit 5cac26c
Author: fathia <[email protected]>
Date:   Fri Apr 19 14:30:36 2024 +0000

    refactor: remove redundant code & change names

commit 2af7955
Author: fathia <[email protected]>
Date:   Thu Apr 18 14:23:44 2024 +0000

    feat: add components fetcher and api

commit 5e2e7ca
Author: fathia <[email protected]>
Date:   Thu Apr 18 09:16:51 2024 +0000

    refactor: store components in a separate table

commit f88ab26
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 16 15:39:20 2024 +0200

    feat: update smiles when a new comp is added via dragndrop

commit d244a61
Author: fathia <[email protected]>
Date:   Mon Apr 8 14:22:29 2024 +0000

    wip: split image by SMILES and store ket file

commit 532335c
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 2 15:22:28 2024 +0200

    fix: update comp volumes when total vol is updated & fix solv ratio

commit 85fbeca
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 2 10:48:04 2024 +0200

    fix: store stock molarity of each component

commit 81e1065
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 16:21:49 2024 +0100

    fix: component ratio calculation

commit 8de85e7
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 12:31:31 2024 +0100

    Feat: calculate amount of component required from target conc & volume

commit 2f5ed9b
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 11:53:49 2024 +0100

    feat: add solvent volume

commit 2629781
Author: Fathia Idiris <[email protected]>
Date:   Fri Mar 22 16:49:40 2024 +0100

    fix: fix update mixture samples and re-enable inventory label

commit 99100c7
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 21 17:46:09 2024 +0100

    feat: reconstruct RXN when the components list is updated

commit 6985bb7
Author: fathia <[email protected]>
Date:   Tue Mar 19 15:29:17 2024 +0000

    WIP: new sample from img instead of subsample

commit e79a71d
Author: fathia <[email protected]>
Date:   Mon Mar 18 14:31:08 2024 +0000

    refactor: splitmolfile and combine svg fetch calls

commit 6eb1227
Author: fathia <[email protected]>
Date:   Mon Mar 18 10:43:04 2024 +0000

    fix: fix missing C-bonds and order of fetch calls

commit f27bb28
Author: fathia <[email protected]>
Date:   Thu Mar 14 15:19:03 2024 +0000

    WIP: render combined sample svg w/o reaction arrow

commit 4b10f2a
Author: fathia <[email protected]>
Date:   Thu Mar 14 10:11:34 2024 +0000

    split Ketcher 2 rxn file into subsamples

commit 2b38280
Author: fathia <[email protected]>
Date:   Tue Mar 12 15:01:21 2024 +0000

    wip: split rxn file into mixture subsamples

commit d52d94f
Author: fathia <[email protected]>
Date:   Thu Mar 7 13:45:29 2024 +0000

    refactor: separate show reaction & show mixture material

commit c4dae18
Author: fathia <[email protected]>
Date:   Wed Mar 6 13:22:28 2024 +0000

    fix: fix url when clicking on a mixture component

commit 5bd89b9
Author: fathia <[email protected]>
Date:   Tue Mar 5 14:30:54 2024 +0000

    refactor: Hide unnecessary sections, improve table alignment, display parent sample short label

commit d663196
Author: fathia <[email protected]>
Date:   Mon Mar 4 14:40:51 2024 +0000

    hide subsamples in elements list & show stock sample on click material

commit 2265fca
Author: fathia <[email protected]>
Date:   Mon Mar 4 12:26:41 2024 +0000

    refactor: add sample to mixture via add sample btn

commit 38fc91a
Author: fathia <[email protected]>
Date:   Fri Mar 1 13:33:31 2024 +0000

    fix: update sample endpoint

commit d8f9ee6
Author: fathia <[email protected]>
Date:   Fri Mar 1 10:02:05 2024 +0000

    fix: reopen mixture sample after saving

commit f1c32a1
Author: fathia <[email protected]>
Date:   Thu Feb 29 08:29:52 2024 +0000

    fix: fix create mixture comp subsamples

commit 733173c
Author: fathia <[email protected]>
Date:   Wed Feb 28 10:08:03 2024 +0000

    fix: fix save stock & add sample type name attr.

commit b1e36c4
Author: fathia <[email protected]>
Date:   Tue Feb 27 09:39:20 2024 +0000

    fix: create button enabled for mixtures with comps

commit fcd184d
Author: fathia <[email protected]>
Date:   Tue Feb 27 09:29:52 2024 +0000

    fix: new comp short label  same as mixture label

commit a86f9ce
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 26 17:01:26 2024 +0100

    do not render structure editor & cas fast input for mixtures

commit f17169f
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 26 14:56:59 2024 +0100

    fix: disable unnecessary 'dropmaterial'

commit c9ab74b
Author: fathia <[email protected]>
Date:   Fri Feb 23 13:12:34 2024 +0000

    fix: add mixture component via add sample button

commit c8e2598
Author: fathia <[email protected]>
Date:   Fri Feb 23 08:31:24 2024 +0000

    fix: remove molarity and density tooltip

commit 101c04e
Author: fathia <[email protected]>
Date:   Thu Feb 22 15:01:51 2024 +0000

    feat: component table calculations

commit 39fd089
Author: fathia <[email protected]>
Date:   Wed Feb 21 15:16:04 2024 +0000

    fix: drag and drop samples in mixture comps table

commit 8bf29bc
Author: fathia <[email protected]>
Date:   Wed Feb 21 10:32:17 2024 +0000

    handle sample type changes

commit 87769e6
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 19 16:42:49 2024 +0100

    feat: add mixture components table in UI

commit 22d229c
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 19 11:17:09 2024 +0100

    feat: add select sample type dropdown

commit 2847ecb
Author: fathia <[email protected]>
Date:   Thu Feb 15 14:40:49 2024 +0000

    save mixture comps as subsample of stock solution

commit c07885d
Author: fathia <[email protected]>
Date:   Wed Feb 14 09:41:10 2024 +0000

    update sample types after create sample

commit 34ffaea
Author: fathia <[email protected]>
Date:   Tue Feb 13 09:48:37 2024 +0000

    remove outdated migration files

commit 05599d9
Author: fathia <[email protected]>
Date:   Mon Jan 29 15:29:19 2024 +0000

    refactor: refactor sample type models

commit 93825c6
Author: fathia <[email protected]>
Date:   Tue Jan 23 14:32:05 2024 +0000

    create sample mixture and sample components

commit 47bf220
Author: fathia <[email protected]>
Date:   Tue Jan 23 10:04:59 2024 +0000

    refactor: mixtures and components model

commit 6afa120
Author: fathia <[email protected]>
Date:   Mon Jan 22 14:10:58 2024 +0000

    create micromolecule by default & move fields

commit 7783241
Author: fathia <[email protected]>
Date:   Fri Jan 19 10:03:13 2024 +0000

    refactor: refactor mixture associations

commit 06766c9
Author: fathia <[email protected]>
Date:   Thu Jan 18 15:23:10 2024 +0000

    split sample model into micromolecule and mixture
PiTrem added a commit that referenced this pull request Aug 16, 2024
@PiTrem
feat: Sample types extension updates #2058
5bc7283 
Squashed commit of the following:

commit cfd66da
fix: component table header updated
feat: add tooltip text for total conc.
refactor: eslint warnings

commit 0a9e477

feat: change component table for liquid components

commit 77f9f89

feat: change component table for liquid components
when volume given, calculate the amount
when amount is given, calculate the volume
handle the calculation when the starting conc. or density being locked
reset the entire row when starting conc. or density is updated

commit 9922e1b
Author: Tasnim Mehzabin <[email protected]>
Date:   Wed Aug 7 16:37:53 2024 +0200

    fix: issue with the Amount field not being set for mixture components
    feat: calculate other fields based on the Amount field
    fix: the Volume column being updated though it has been locked

commit 13cdb86
Author: Tasnim Mehzabin <[email protected]>
Date:   Wed Aug 7 15:13:08 2024 +0200

    feat: add the preview image to component in mixtures

commit 36c0fae
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 16:18:52 2024 +0200

    refactor: eslint warnings

commit 0c9b13a
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 16:18:52 2024 +0200

    refactor: eslint warnings

commit 8c59c36
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 15:45:56 2024 +0200

    feat: add density field for the solid components in mixtures

commit b3c2ef1
Author: Tasnim Mehzabin <[email protected]>
Date:   Mon Jul 29 15:59:02 2024 +0200

    feat: add tooltip text for the "Total volume" field for Mixture

commit 52ee524
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Jul 23 16:05:37 2024 +0200

    fix: fetching of components after fetching the sample causing the sample appear as edited

commit 698bcab
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Jul 23 13:42:38 2024 +0200

    fix (UI): cannot create a single molecule

commit 7b04874
Author: fathia <[email protected]>
Date:   Thu Jun 20 12:08:00 2024 +0000

    disable savebtn for mixtures with 0 components

commit ce423c4
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 16:49:08 2024 +0200

    fix: solvent volume column only for mixture samples

commit 514c216
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 15:38:20 2024 +0200

    fix: fix update ratio

commit e51a82a
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 09:24:45 2024 +0200

    fix: fix ratio after setting purity

commit 209d730
Author: fathia <[email protected]>
Date:   Tue Jun 18 14:28:08 2024 +0000

    feat: comp. table calculations with purity

commit 9123440
Author: fathia <[email protected]>
Date:   Tue Jun 18 08:24:27 2024 +0000

    fix: update volume of a comp with a density in reactions table.

commit d273142
Author: Fathia Idiris <[email protected]>
Date:   Mon Jun 17 16:56:42 2024 +0200

    feat: comp. table calculations handles density & add purity field

commit e58dde6
Author: fathia <[email protected]>
Date:   Tue Jun 11 07:36:04 2024 +0000

    refactor: save/update components api endpoint

commit 96014bf
Author: fathia <[email protected]>
Date:   Mon Jun 10 09:43:17 2024 +0000

    fix: blank screen with get reference molarity val

commit 97d3bdc
Author: fathia <[email protected]>
Date:   Wed Jun 5 14:23:26 2024 +0000

    fix: fix display svg image before saving sample

commit 2a374af
Author: fathia <[email protected]>
Date:   Wed Jun 5 12:21:07 2024 +0000

    feat: mixture samples in reactions scheme

commit 085c451
Author: fathia <[email protected]>
Date:   Mon Jun 3 14:19:39 2024 +0000

    refactor: enable chem identifiers & correct sample types dropdown

commit 7cbdba8
Author: fathia <[email protected]>
Date:   Mon Jun 3 14:13:38 2024 +0000

    refactor: remove add component sample button

commit d2c14cd
Author: fathia <[email protected]>
Date:   Mon Jun 3 08:43:57 2024 +0000

    feat: calculate total MW for mixtures & use in reaction table

commit 2b29fab
Author: fathia <[email protected]>
Date:   Wed May 29 07:29:23 2024 +0000

    chore: remove unused files

commit c8edca7
Author: fathia <[email protected]>
Date:   Wed May 29 07:27:22 2024 +0000

    fix rebase error

commit d51c61d
Author: fathia <[email protected]>
Date:   Wed May 29 06:37:43 2024 +0000

    fix: fix set default reference component

commit 7365ef7
Author: fathia <[email protected]>
Date:   Fri May 24 13:52:29 2024 +0000

    feat: option to merge components

commit e15e3a5
Author: fathia <[email protected]>
Date:   Thu May 16 14:29:07 2024 +0000

    fix: fix create sample for mixture & store molfile

commit 489b74b
Author: fathia <[email protected]>
Date:   Thu May 16 13:46:50 2024 +0000

    feat: allow users to adjust comp. ratios

commit 5971234
Author: fathia <[email protected]>
Date:   Wed May 15 14:19:54 2024 +0000

    refactor: rename labels and fix alignments in UI

commit 886988a
Author: fathia <[email protected]>
Date:   Mon May 13 09:24:26 2024 +0000

    fix: move component between tables

commit 75afa87
Author: fathia <[email protected]>
Date:   Fri May 10 13:56:21 2024 +0000

    feat: two tables for mixture components

commit b523999
Author: fathia <[email protected]>
Date:   Tue May 7 12:56:42 2024 +0000

    feat: add component label/name text field

commit 047300d
Author: fathia <[email protected]>
Date:   Tue May 7 07:36:49 2024 +0000

    refactor: change class name to avoid conflicts with react component

commit 1d310e3
Author: fathia <[email protected]>
Date:   Mon May 6 15:00:11 2024 +0000

    refactor: handle components in sample subclass

commit 568f0bf
Author: fathia <[email protected]>
Date:   Fri May 3 14:17:06 2024 +0000

    refactor: separate reaction materials & components

commit 9adb2c2
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 30 17:11:17 2024 +0200

    feat: switch between set amount & set conc in comp table

commit d9fef47
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 30 14:48:30 2024 +0200

    refactor: stricter validation in save/update components endpoint

commit e607ecc
Author: Fathia Idiris <[email protected]>
Date:   Fri Apr 26 16:13:35 2024 +0200

    feat: swap positions of comps in table

commit 5f7c482
Author: Fathia Idiris <[email protected]>
Date:   Thu Apr 25 17:18:21 2024 +0200

    feat: drag n drop mixture into another mixture

commit eee87e8
Author: fathia <[email protected]>
Date:   Wed Apr 24 13:59:14 2024 +0000

    chore: remove old migrations

commit 163f7f1
Author: fathia <[email protected]>
Date:   Wed Apr 24 13:39:04 2024 +0000

    feat: fetch and update components

commit 5cac26c
Author: fathia <[email protected]>
Date:   Fri Apr 19 14:30:36 2024 +0000

    refactor: remove redundant code & change names

commit 2af7955
Author: fathia <[email protected]>
Date:   Thu Apr 18 14:23:44 2024 +0000

    feat: add components fetcher and api

commit 5e2e7ca
Author: fathia <[email protected]>
Date:   Thu Apr 18 09:16:51 2024 +0000

    refactor: store components in a separate table

commit f88ab26
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 16 15:39:20 2024 +0200

    feat: update smiles when a new comp is added via dragndrop

commit d244a61
Author: fathia <[email protected]>
Date:   Mon Apr 8 14:22:29 2024 +0000

    wip: split image by SMILES and store ket file

commit 532335c
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 2 15:22:28 2024 +0200

    fix: update comp volumes when total vol is updated & fix solv ratio

commit 85fbeca
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 2 10:48:04 2024 +0200

    fix: store stock molarity of each component

commit 81e1065
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 16:21:49 2024 +0100

    fix: component ratio calculation

commit 8de85e7
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 12:31:31 2024 +0100

    Feat: calculate amount of component required from target conc & volume

commit 2f5ed9b
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 11:53:49 2024 +0100

    feat: add solvent volume

commit 2629781
Author: Fathia Idiris <[email protected]>
Date:   Fri Mar 22 16:49:40 2024 +0100

    fix: fix update mixture samples and re-enable inventory label

commit 99100c7
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 21 17:46:09 2024 +0100

    feat: reconstruct RXN when the components list is updated

commit 6985bb7
Author: fathia <[email protected]>
Date:   Tue Mar 19 15:29:17 2024 +0000

    WIP: new sample from img instead of subsample

commit e79a71d
Author: fathia <[email protected]>
Date:   Mon Mar 18 14:31:08 2024 +0000

    refactor: splitmolfile and combine svg fetch calls

commit 6eb1227
Author: fathia <[email protected]>
Date:   Mon Mar 18 10:43:04 2024 +0000

    fix: fix missing C-bonds and order of fetch calls

commit f27bb28
Author: fathia <[email protected]>
Date:   Thu Mar 14 15:19:03 2024 +0000

    WIP: render combined sample svg w/o reaction arrow

commit 4b10f2a
Author: fathia <[email protected]>
Date:   Thu Mar 14 10:11:34 2024 +0000

    split Ketcher 2 rxn file into subsamples

commit 2b38280
Author: fathia <[email protected]>
Date:   Tue Mar 12 15:01:21 2024 +0000

    wip: split rxn file into mixture subsamples

commit d52d94f
Author: fathia <[email protected]>
Date:   Thu Mar 7 13:45:29 2024 +0000

    refactor: separate show reaction & show mixture material

commit c4dae18
Author: fathia <[email protected]>
Date:   Wed Mar 6 13:22:28 2024 +0000

    fix: fix url when clicking on a mixture component

commit 5bd89b9
Author: fathia <[email protected]>
Date:   Tue Mar 5 14:30:54 2024 +0000

    refactor: Hide unnecessary sections, improve table alignment, display parent sample short label

commit d663196
Author: fathia <[email protected]>
Date:   Mon Mar 4 14:40:51 2024 +0000

    hide subsamples in elements list & show stock sample on click material

commit 2265fca
Author: fathia <[email protected]>
Date:   Mon Mar 4 12:26:41 2024 +0000

    refactor: add sample to mixture via add sample btn

commit 38fc91a
Author: fathia <[email protected]>
Date:   Fri Mar 1 13:33:31 2024 +0000

    fix: update sample endpoint

commit d8f9ee6
Author: fathia <[email protected]>
Date:   Fri Mar 1 10:02:05 2024 +0000

    fix: reopen mixture sample after saving

commit f1c32a1
Author: fathia <[email protected]>
Date:   Thu Feb 29 08:29:52 2024 +0000

    fix: fix create mixture comp subsamples

commit 733173c
Author: fathia <[email protected]>
Date:   Wed Feb 28 10:08:03 2024 +0000

    fix: fix save stock & add sample type name attr.

commit b1e36c4
Author: fathia <[email protected]>
Date:   Tue Feb 27 09:39:20 2024 +0000

    fix: create button enabled for mixtures with comps

commit fcd184d
Author: fathia <[email protected]>
Date:   Tue Feb 27 09:29:52 2024 +0000

    fix: new comp short label  same as mixture label

commit a86f9ce
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 26 17:01:26 2024 +0100

    do not render structure editor & cas fast input for mixtures

commit f17169f
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 26 14:56:59 2024 +0100

    fix: disable unnecessary 'dropmaterial'

commit c9ab74b
Author: fathia <[email protected]>
Date:   Fri Feb 23 13:12:34 2024 +0000

    fix: add mixture component via add sample button

commit c8e2598
Author: fathia <[email protected]>
Date:   Fri Feb 23 08:31:24 2024 +0000

    fix: remove molarity and density tooltip

commit 101c04e
Author: fathia <[email protected]>
Date:   Thu Feb 22 15:01:51 2024 +0000

    feat: component table calculations

commit 39fd089
Author: fathia <[email protected]>
Date:   Wed Feb 21 15:16:04 2024 +0000

    fix: drag and drop samples in mixture comps table

commit 8bf29bc
Author: fathia <[email protected]>
Date:   Wed Feb 21 10:32:17 2024 +0000

    handle sample type changes

commit 87769e6
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 19 16:42:49 2024 +0100

    feat: add mixture components table in UI

commit 22d229c
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 19 11:17:09 2024 +0100

    feat: add select sample type dropdown

commit 2847ecb
Author: fathia <[email protected]>
Date:   Thu Feb 15 14:40:49 2024 +0000

    save mixture comps as subsample of stock solution

commit c07885d
Author: fathia <[email protected]>
Date:   Wed Feb 14 09:41:10 2024 +0000

    update sample types after create sample

commit 34ffaea
Author: fathia <[email protected]>
Date:   Tue Feb 13 09:48:37 2024 +0000

    remove outdated migration files

commit 05599d9
Author: fathia <[email protected]>
Date:   Mon Jan 29 15:29:19 2024 +0000

    refactor: refactor sample type models

commit 93825c6
Author: fathia <[email protected]>
Date:   Tue Jan 23 14:32:05 2024 +0000

    create sample mixture and sample components

commit 47bf220
Author: fathia <[email protected]>
Date:   Tue Jan 23 10:04:59 2024 +0000

    refactor: mixtures and components model

commit 6afa120
Author: fathia <[email protected]>
Date:   Mon Jan 22 14:10:58 2024 +0000

    create micromolecule by default & move fields

commit 7783241
Author: fathia <[email protected]>
Date:   Fri Jan 19 10:03:13 2024 +0000

    refactor: refactor mixture associations

commit 06766c9
Author: fathia <[email protected]>
Date:   Thu Jan 18 15:23:10 2024 +0000

    split sample model into micromolecule and mixture
@TasnimMehzabin TasnimMehzabin force-pushed the sample-types-extension-updates branch 2 times, most recently from 941c398 to fa4b02c Compare August 21, 2024 13:46
PiTrem added a commit that referenced this pull request Aug 21, 2024
@PiTrem
feat: Sample types extension updates #2058
3477645 
Squashed commit of the following:

commit 941c398
Author: Tasnim Mehzabin <[email protected]>
Date:   Wed Aug 14 16:18:43 2024 +0200

    feat: change component table for liquid components
    when volume given, calculate the amount
    when amount is given, calculate the volume
    handle the calculation when the starting conc. or density being locked
    recalculate the entire row when starting conc. or density is updated except total concentration, the reference, and the ratio

commit 0a9e477
Author: Tasnim Mehzabin <[email protected]>
Date:   Mon Aug 12 15:33:16 2024 +0200

    feat: change component table for liquid components

commit cfd66da
Author: Tasnim Mehzabin <[email protected]>
Date:   Thu Aug 8 16:11:52 2024 +0200

    fix: component table header updated
    feat: add tooltip text for total conc.
    refactor: eslint warnings

commit 9922e1b
Author: Tasnim Mehzabin <[email protected]>
Date:   Wed Aug 7 16:37:53 2024 +0200

    fix: issue with the Amount field not being set for mixture components
    feat: calculate other fields based on the Amount field
    fix: the Volume column being updated though it has been locked

commit 13cdb86
Author: Tasnim Mehzabin <[email protected]>
Date:   Wed Aug 7 15:13:08 2024 +0200

    feat: add the preview image to component in mixtures

commit 36c0fae
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 16:18:52 2024 +0200

    refactor: eslint warnings

commit 0c9b13a
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 16:18:52 2024 +0200

    refactor: eslint warnings

commit 8c59c36
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Aug 6 15:45:56 2024 +0200

    feat: add density field for the solid components in mixtures

commit b3c2ef1
Author: Tasnim Mehzabin <[email protected]>
Date:   Mon Jul 29 15:59:02 2024 +0200

    feat: add tooltip text for the "Total volume" field for Mixture

commit 52ee524
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Jul 23 16:05:37 2024 +0200

    fix: fetching of components after fetching the sample causing the sample appear as edited

commit 698bcab
Author: Tasnim Mehzabin <[email protected]>
Date:   Tue Jul 23 13:42:38 2024 +0200

    fix (UI): cannot create a single molecule

commit 7b04874
Author: fathia <[email protected]>
Date:   Thu Jun 20 12:08:00 2024 +0000

    disable savebtn for mixtures with 0 components

commit ce423c4
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 16:49:08 2024 +0200

    fix: solvent volume column only for mixture samples

commit 514c216
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 15:38:20 2024 +0200

    fix: fix update ratio

commit e51a82a
Author: Fathia Idiris <[email protected]>
Date:   Wed Jun 19 09:24:45 2024 +0200

    fix: fix ratio after setting purity

commit 209d730
Author: fathia <[email protected]>
Date:   Tue Jun 18 14:28:08 2024 +0000

    feat: comp. table calculations with purity

commit 9123440
Author: fathia <[email protected]>
Date:   Tue Jun 18 08:24:27 2024 +0000

    fix: update volume of a comp with a density in reactions table.

commit d273142
Author: Fathia Idiris <[email protected]>
Date:   Mon Jun 17 16:56:42 2024 +0200

    feat: comp. table calculations handles density & add purity field

commit e58dde6
Author: fathia <[email protected]>
Date:   Tue Jun 11 07:36:04 2024 +0000

    refactor: save/update components api endpoint

commit 96014bf
Author: fathia <[email protected]>
Date:   Mon Jun 10 09:43:17 2024 +0000

    fix: blank screen with get reference molarity val

commit 97d3bdc
Author: fathia <[email protected]>
Date:   Wed Jun 5 14:23:26 2024 +0000

    fix: fix display svg image before saving sample

commit 2a374af
Author: fathia <[email protected]>
Date:   Wed Jun 5 12:21:07 2024 +0000

    feat: mixture samples in reactions scheme

commit 085c451
Author: fathia <[email protected]>
Date:   Mon Jun 3 14:19:39 2024 +0000

    refactor: enable chem identifiers & correct sample types dropdown

commit 7cbdba8
Author: fathia <[email protected]>
Date:   Mon Jun 3 14:13:38 2024 +0000

    refactor: remove add component sample button

commit d2c14cd
Author: fathia <[email protected]>
Date:   Mon Jun 3 08:43:57 2024 +0000

    feat: calculate total MW for mixtures & use in reaction table

commit 2b29fab
Author: fathia <[email protected]>
Date:   Wed May 29 07:29:23 2024 +0000

    chore: remove unused files

commit c8edca7
Author: fathia <[email protected]>
Date:   Wed May 29 07:27:22 2024 +0000

    fix rebase error

commit d51c61d
Author: fathia <[email protected]>
Date:   Wed May 29 06:37:43 2024 +0000

    fix: fix set default reference component

commit 7365ef7
Author: fathia <[email protected]>
Date:   Fri May 24 13:52:29 2024 +0000

    feat: option to merge components

commit e15e3a5
Author: fathia <[email protected]>
Date:   Thu May 16 14:29:07 2024 +0000

    fix: fix create sample for mixture & store molfile

commit 489b74b
Author: fathia <[email protected]>
Date:   Thu May 16 13:46:50 2024 +0000

    feat: allow users to adjust comp. ratios

commit 5971234
Author: fathia <[email protected]>
Date:   Wed May 15 14:19:54 2024 +0000

    refactor: rename labels and fix alignments in UI

commit 886988a
Author: fathia <[email protected]>
Date:   Mon May 13 09:24:26 2024 +0000

    fix: move component between tables

commit 75afa87
Author: fathia <[email protected]>
Date:   Fri May 10 13:56:21 2024 +0000

    feat: two tables for mixture components

commit b523999
Author: fathia <[email protected]>
Date:   Tue May 7 12:56:42 2024 +0000

    feat: add component label/name text field

commit 047300d
Author: fathia <[email protected]>
Date:   Tue May 7 07:36:49 2024 +0000

    refactor: change class name to avoid conflicts with react component

commit 1d310e3
Author: fathia <[email protected]>
Date:   Mon May 6 15:00:11 2024 +0000

    refactor: handle components in sample subclass

commit 568f0bf
Author: fathia <[email protected]>
Date:   Fri May 3 14:17:06 2024 +0000

    refactor: separate reaction materials & components

commit 9adb2c2
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 30 17:11:17 2024 +0200

    feat: switch between set amount & set conc in comp table

commit d9fef47
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 30 14:48:30 2024 +0200

    refactor: stricter validation in save/update components endpoint

commit e607ecc
Author: Fathia Idiris <[email protected]>
Date:   Fri Apr 26 16:13:35 2024 +0200

    feat: swap positions of comps in table

commit 5f7c482
Author: Fathia Idiris <[email protected]>
Date:   Thu Apr 25 17:18:21 2024 +0200

    feat: drag n drop mixture into another mixture

commit eee87e8
Author: fathia <[email protected]>
Date:   Wed Apr 24 13:59:14 2024 +0000

    chore: remove old migrations

commit 163f7f1
Author: fathia <[email protected]>
Date:   Wed Apr 24 13:39:04 2024 +0000

    feat: fetch and update components

commit 5cac26c
Author: fathia <[email protected]>
Date:   Fri Apr 19 14:30:36 2024 +0000

    refactor: remove redundant code & change names

commit 2af7955
Author: fathia <[email protected]>
Date:   Thu Apr 18 14:23:44 2024 +0000

    feat: add components fetcher and api

commit 5e2e7ca
Author: fathia <[email protected]>
Date:   Thu Apr 18 09:16:51 2024 +0000

    refactor: store components in a separate table

commit f88ab26
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 16 15:39:20 2024 +0200

    feat: update smiles when a new comp is added via dragndrop

commit d244a61
Author: fathia <[email protected]>
Date:   Mon Apr 8 14:22:29 2024 +0000

    wip: split image by SMILES and store ket file

commit 532335c
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 2 15:22:28 2024 +0200

    fix: update comp volumes when total vol is updated & fix solv ratio

commit 85fbeca
Author: Fathia Idiris <[email protected]>
Date:   Tue Apr 2 10:48:04 2024 +0200

    fix: store stock molarity of each component

commit 81e1065
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 16:21:49 2024 +0100

    fix: component ratio calculation

commit 8de85e7
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 12:31:31 2024 +0100

    Feat: calculate amount of component required from target conc & volume

commit 2f5ed9b
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 28 11:53:49 2024 +0100

    feat: add solvent volume

commit 2629781
Author: Fathia Idiris <[email protected]>
Date:   Fri Mar 22 16:49:40 2024 +0100

    fix: fix update mixture samples and re-enable inventory label

commit 99100c7
Author: Fathia Idiris <[email protected]>
Date:   Thu Mar 21 17:46:09 2024 +0100

    feat: reconstruct RXN when the components list is updated

commit 6985bb7
Author: fathia <[email protected]>
Date:   Tue Mar 19 15:29:17 2024 +0000

    WIP: new sample from img instead of subsample

commit e79a71d
Author: fathia <[email protected]>
Date:   Mon Mar 18 14:31:08 2024 +0000

    refactor: splitmolfile and combine svg fetch calls

commit 6eb1227
Author: fathia <[email protected]>
Date:   Mon Mar 18 10:43:04 2024 +0000

    fix: fix missing C-bonds and order of fetch calls

commit f27bb28
Author: fathia <[email protected]>
Date:   Thu Mar 14 15:19:03 2024 +0000

    WIP: render combined sample svg w/o reaction arrow

commit 4b10f2a
Author: fathia <[email protected]>
Date:   Thu Mar 14 10:11:34 2024 +0000

    split Ketcher 2 rxn file into subsamples

commit 2b38280
Author: fathia <[email protected]>
Date:   Tue Mar 12 15:01:21 2024 +0000

    wip: split rxn file into mixture subsamples

commit d52d94f
Author: fathia <[email protected]>
Date:   Thu Mar 7 13:45:29 2024 +0000

    refactor: separate show reaction & show mixture material

commit c4dae18
Author: fathia <[email protected]>
Date:   Wed Mar 6 13:22:28 2024 +0000

    fix: fix url when clicking on a mixture component

commit 5bd89b9
Author: fathia <[email protected]>
Date:   Tue Mar 5 14:30:54 2024 +0000

    refactor: Hide unnecessary sections, improve table alignment, display parent sample short label

commit d663196
Author: fathia <[email protected]>
Date:   Mon Mar 4 14:40:51 2024 +0000

    hide subsamples in elements list & show stock sample on click material

commit 2265fca
Author: fathia <[email protected]>
Date:   Mon Mar 4 12:26:41 2024 +0000

    refactor: add sample to mixture via add sample btn

commit 38fc91a
Author: fathia <[email protected]>
Date:   Fri Mar 1 13:33:31 2024 +0000

    fix: update sample endpoint

commit d8f9ee6
Author: fathia <[email protected]>
Date:   Fri Mar 1 10:02:05 2024 +0000

    fix: reopen mixture sample after saving

commit f1c32a1
Author: fathia <[email protected]>
Date:   Thu Feb 29 08:29:52 2024 +0000

    fix: fix create mixture comp subsamples

commit 733173c
Author: fathia <[email protected]>
Date:   Wed Feb 28 10:08:03 2024 +0000

    fix: fix save stock & add sample type name attr.

commit b1e36c4
Author: fathia <[email protected]>
Date:   Tue Feb 27 09:39:20 2024 +0000

    fix: create button enabled for mixtures with comps

commit fcd184d
Author: fathia <[email protected]>
Date:   Tue Feb 27 09:29:52 2024 +0000

    fix: new comp short label  same as mixture label

commit a86f9ce
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 26 17:01:26 2024 +0100

    do not render structure editor & cas fast input for mixtures

commit f17169f
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 26 14:56:59 2024 +0100

    fix: disable unnecessary 'dropmaterial'

commit c9ab74b
Author: fathia <[email protected]>
Date:   Fri Feb 23 13:12:34 2024 +0000

    fix: add mixture component via add sample button

commit c8e2598
Author: fathia <[email protected]>
Date:   Fri Feb 23 08:31:24 2024 +0000

    fix: remove molarity and density tooltip

commit 101c04e
Author: fathia <[email protected]>
Date:   Thu Feb 22 15:01:51 2024 +0000

    feat: component table calculations

commit 39fd089
Author: fathia <[email protected]>
Date:   Wed Feb 21 15:16:04 2024 +0000

    fix: drag and drop samples in mixture comps table

commit 8bf29bc
Author: fathia <[email protected]>
Date:   Wed Feb 21 10:32:17 2024 +0000

    handle sample type changes

commit 87769e6
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 19 16:42:49 2024 +0100

    feat: add mixture components table in UI

commit 22d229c
Author: Fathia Idiris <[email protected]>
Date:   Mon Feb 19 11:17:09 2024 +0100

    feat: add select sample type dropdown

commit 2847ecb
Author: fathia <[email protected]>
Date:   Thu Feb 15 14:40:49 2024 +0000

    save mixture comps as subsample of stock solution

commit c07885d
Author: fathia <[email protected]>
Date:   Wed Feb 14 09:41:10 2024 +0000

    update sample types after create sample

commit 34ffaea
Author: fathia <[email protected]>
Date:   Tue Feb 13 09:48:37 2024 +0000

    remove outdated migration files

commit 05599d9
Author: fathia <[email protected]>
Date:   Mon Jan 29 15:29:19 2024 +0000

    refactor: refactor sample type models

commit 93825c6
Author: fathia <[email protected]>
Date:   Tue Jan 23 14:32:05 2024 +0000

    create sample mixture and sample components

commit 47bf220
Author: fathia <[email protected]>
Date:   Tue Jan 23 10:04:59 2024 +0000

    refactor: mixtures and components model

commit 6afa120
Author: fathia <[email protected]>
Date:   Mon Jan 22 14:10:58 2024 +0000

    create micromolecule by default & move fields

commit 7783241
Author: fathia <[email protected]>
Date:   Fri Jan 19 10:03:13 2024 +0000

    refactor: refactor mixture associations

commit 06766c9
Author: fathia <[email protected]>
Date:   Thu Jan 18 15:23:10 2024 +0000

    split sample model into micromolecule and mixture
@TasnimMehzabin TasnimMehzabin force-pushed the sample-types-extension-updates branch 6 times, most recently from 6641fa2 to 7e1c2bd Compare October 2, 2024 14:16
@TasnimMehzabin TasnimMehzabin force-pushed the sample-types-extension-updates branch 3 times, most recently from 57f6616 to 90bbe7c Compare October 10, 2024 10:33
feat: updated components table calculation
27d54b1 
- component table header updated
- issue with the Amount field not being set for mixture components
- 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
- added the calculations related to Solid components

fix (UI): cannot create a single molecule
fix: fetching of components after fetching the sample causing the sample appear as edited
refactor: code
refactor: eslint warnings

test: add test codes for Component model
github-actions[bot]
github-actions bot reviewed Oct 30, 2024
View reviewed changes
app/api/chemotion/attachment_api.rb Outdated
ElementPermissionProxy.new(current_user, element, user_ids).read_dataset?)

if !can_dwnld && (element = @attachment.container&.root&.containable || @attachment.attachable)
can_dwnld = if element.is_a?(Container)
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Metrics/BlockNesting: Avoid more than 3 levels of block nesting.

app/api/chemotion/code_log_api.rb Outdated
requires :size, type: String, values: ["small", "big"]
requires :element_type, type: String, values: %w[sample reaction wellplate screen]
requires :id, type: Integer, desc: 'Element id'
requires :analyses_ids, type: Array[String]
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Style/RedundantArrayConstructor: Remove the redundant Array constructor.

app/api/chemotion/molecule_api.rb Outdated
@@ -161,6 +161,19 @@ class MoleculeAPI < Grape::API
end
end

namespace :molecular_weight do
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Metrics/ClassLength: Class has too many lines. [290/200]

app/api/chemotion/profile_api.rb Outdated
@@ -24,6 +24,7 @@ class ProfileAPI < Grape::API
data = profile.data || {}
layout = {}
layout = Rails.configuration.profile_default&.layout if Rails.configuration.respond_to?(:profile_default)
templates_list = []
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Metrics/ClassLength: Class has too many lines. [212/200]

app/api/entities/notification_attachment_entity.rb Outdated
@@ -0,0 +1,7 @@

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Style/FrozenStringLiteralComment: Missing frozen string literal comment.

lib/chemotion/calculations.rb Outdated
@@ -215,4 +230,41 @@ def self.smaller_than_zero(num, tail_len, pc)
pc_non_zero = prec_limit(pc + tail_len)
"%.#{pc_non_zero}f" % num&.round(pc_non_zero)
end

def self.calculate_mass_from_groups(formula)
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Lint/IneffectiveAccessModifier: private (on line 121) does not make singleton methods private. Use private_class_method or private inside a class << self block instead.

lib/chemotion/calculations.rb Outdated
total_mass
end

def self.calculate_mass_from_elements(formula)
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Lint/IneffectiveAccessModifier: private (on line 121) does not make singleton methods private. Use private_class_method or private inside a class << self block instead.

lib/chemotion/calculations.rb Outdated
total_mass
end

def self.extract_coefficient(component)
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Lint/IneffectiveAccessModifier: private (on line 121) does not make singleton methods private. Use private_class_method or private inside a class << self block instead.

lib/reporter/docx/detail_reaction.rb Outdated
@@ -1,6 +1,8 @@
module Reporter
module Docx
class DetailReaction < Detail
include Reactable
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Metrics/ClassLength: Class has too many lines. [626/200]

spec/api/chemotion/attachment_api_spec.rb Outdated
@@ -423,7 +479,7 @@
end

describe 'POST /api/v1/attachments/thumbnails' do
pending 'not yet implemented'
pending
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RSpec/PendingWithoutReason: Give the reason for pending.

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github-actions bot reviewed Oct 30, 2024
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spec/api/chemotion/profile_api_spec.rb Outdated
end

context 'when the settings file does not exist' do
it 'returns default settings with a success status' do
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RSpec/MultipleExpectations: Example has too many expectations [4/3].

spec/api/chemotion/profile_api_spec.rb Outdated
get '/api/v1/profiles/editors/ketcher2-options', headers: headers

expect(response).to have_http_status(:ok)
response_body = JSON.parse(response.body)
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Lint/UselessAssignment: Useless assignment to variable - response_body. Did you mean response?

spec/api/chemotion/public_api_spec.rb Outdated
@@ -5,6 +5,7 @@
require 'rails_helper'

describe Chemotion::PublicAPI do

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Layout/EmptyLinesAroundBlockBody: Extra empty line detected at block body beginning.

spec/api/chemotion/sample_api_spec.rb Outdated
@@ -585,6 +586,49 @@
end
end

context 'when updating sample inventory label' do
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RSpec/NestedGroups: Maximum example group nesting exceeded [4/3].

spec/api/chemotion/third_party_app_api_spec.rb Outdated
parts.split('/').last
end

let(:tpa) { create((:third_party_app)) }
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Style/RedundantParentheses: Don't use parentheses around a literal.

spec/usecases/reactions/update_materials_spec.rb Outdated
@@ -120,5 +170,38 @@
expect(Sample.find_by(name: 'product').target_amount_value).to eq(99.08304)
end
end

context 'when vessel volume is valid' do
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RSpec/MultipleMemoizedHelpers: Example group has too many memoized helpers [20/10]

spec/usecases/reactions/update_materials_spec.rb Outdated
end
end

context 'when vessel volume is nil' do
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RSpec/MultipleMemoizedHelpers: Example group has too many memoized helpers [20/10]

spec/usecases/reactions/update_materials_spec.rb Outdated
end
end

context 'updates samples using set_mole_value_gas_product' do
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RSpec/MultipleMemoizedHelpers: Example group has too many memoized helpers [20/10]

spec/usecases/reactions/update_materials_spec.rb Outdated
end
end

context 'updates samples using set_mole_value_gas_product' do
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RSpec/ContextWording: Context description should match /^when\b/, /^with\b/, or /^without\b/.

spec/usecases/reactions/update_materials_spec.rb Outdated
end

it 'updates real_amount_value of product sample' do
class_instance_with_vessel_volume.send(:set_mole_value_gas_product, sample, product_material_with_real_amount_value)
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Layout/LineLength: Line is too long. [124/120]

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@TasnimMehzabin