(2024-10-02)
-
Bug fixes
- wellplate template download (#2115)
- oidc params issue (#2190)
- admin restore account - rm obsolete has_profile calls (#2181)
- returning attachment preview when not annotated (#2192)
- type error when sample has no collection tag data on saving sample (#2158)
ChemSpectra and NMRIUM
- internal ref for cv layout (#2104)
UX/UI
- reaction scheme - sample names style (#2193)
-
Chores
-
Ci
- set postgres to latest 16 for testing (#2191)
(2024-09-13)
-
Bug fixes
-
Code refactoring
- asset pipeline to prepare for bootstrap update (#2139)
-
Chores
(2024-09-06)
-
Features and enhancements
- Ketcher2 Common Templates, User Templates & User settings (#2061)
- collect metadata other solvent for cv (#2121)
- search common templates in Ketcher2 (#2127)
- Structure viewer (#2098)
UX/UI
- Reaction UI enhancements (#2100)
- Sample layout UI enhancements (#2111)
- Sample properties UI changes (#2116)
- affiliations-change color of the save button and add required placeholder (#2137)
- display toggle button for default/gaseous scheme only in reaction scheme tab (#2136)
- align style of the analysis section (#2102)
-
Bug fixes
- missing other internal ref for CV (#2110)
- ketcher-options fetching on load (#2113)
- handle binary response for viewer (#2114)
- restore user label (#2101)
- cannot get scan rate from metadata (#2120)
- handle empty input for viewer (#2105)
- truncate sample name for reactant materials in reaction scheme (#2125)
- handling empty sample names during truncation (#2126)
- restore old density-molarity styling (#2134)
- disable dataset metadata search (#2129)
- user template duplicate tab crash (#2131)
- duplicate attachments in analyses (#2130)
- coefficient is set to null due to missing coefficient parameter (#2135)
- profile test case fail (#2132)
- upload attachment error (#2133)
(2024-08-22)
-
Features and enhancements
- flexibilising the size of wellplates (#1721)
- LabIMotion 1.4.0 (#2070)
- Reaction variations analyses (#1870)
- Reaction variations UI updates (#2074)
- Reaction variations Allow comma and period as decimal separators (#1959)
- Reaction variations Add
Notescolumn (#1966) - Reaction variations Enable editing of amount (mol) (#1980)
- standard report of reaction observations field to keep paragraph structure (#1951)
- add vessel size property to reaction (#2017)
- Barcode Datamatrix printing configuration: customizable code type, layout, label options, and molecule display for PDF output (#2018)
- multiple print-code config (#2085)
- decoupled samples molecular mass determined from sum formula (#1893)
- add analyses datasets to search (#2089)
- Third party apps (#1832)
- Gas phase reaction scheme (#1933)
- chemotion url handler integration (#1972)
- admin api to trigger recommended ket2 installation (#2095)
- vnc page - add option to fit display width (#2003)
UX/UI
ChemSpectra and NMRIUM
- process and display DSC layout (#1965)
- update chemspectra-app to handle GC layout (#2039)
- add shift function for CV layout and new preview image for NMR (#1808)
- update chemspectra [email protected] [email protected] (#1926)
-
Bug fixes
- viewing of pdf in analysis preview (#1917)
- broken gem rinchi (#1936)
- add default value for citationMap (#1932)
- wellplate (#1938)
- profile_api (#1944)
- Add root container to seeded reactions (#1947)
- remove redundant json file in CV layout (#1935)
- limit welcome email attempts (#1937)
- email address validation for longer TLD and reset message on close ... (#1958)
- device seed (#1945)
- coefficient display value defaults to 1 (#1967)
- element list scrollbar back to the top after page change (#1964)
- attachment permission validation to allow access on shared items (#1973)
- dataset thumbnail image to match magnified preview when annotated (#1978)
- Ketcher2 iframe: load molfile when editor ready (#1983)
- admin api to restore missing locked collection (#2001)
- skip empty well initialization on existing wellplate (#2020)
- Show save-status of reaction variations table (#2007)
- Reaction variations migration (#2008)
- match DCM suggestion in solvent-reagent dropdown (#2028)
- Restrict enabling disabled fields on double click (#1434)
- sassc undefined operation on compiling ag-grid scss (#2033)
- use of obsolete method for text_templates (#2071)
Admin
- datacollector connection sftp check when port given (#2049)
-
Code refactoring
- BREAKING CHANGE: device as a distinct model from user (#1736)
- reaction variations components (#1946)
- generalise initializers: ketcher_service structure_editors (#1960)
- reaction variations table db migration (#1987)
- finding the proper CollectionsElement model through reflection (#1915)
- move inline annotation for cyclic voltammetry layout to ELN helper (#1956)
- auto inventory label assignment (#1818)
- fetch chemical phrases methods for merck (#2092)
- affiliations page (#1957)
-
Tests
-
Chores
- Bump rexml from 3.2.5 to 3.2.8 (#1924)
- Remove
Chromefrom devcontainer (#1942) - Bump rack-contrib from 2.3.0 to 2.5.0 (#1954)
- dep update antd js (#1530)
- Bump actionpack from 6.1.7.7 to 6.1.7.8 (#1962)
- Bump ws from 8.13.0 to 8.17.1 (#1977)
- update db schema - model annotations (#2014)
- Bump ag-grid-community from 31.0.3 to 32.0.1 (#2021)
- rm deused chemscanner and unused js dep (#1981)
- Bump fugit from 1.11.0 to 1.11.1 (#2088)
- bundle update / rm deused capistrano (#2090)
- upgrade node package react-datepicker (#2093)
-
Build
- fetch assets, or source code to build assets, of ketcher2 (#2044)
-
CI
- relax nodejs version - update runner docker (#1934)
(2024-05-13)
-
Features and enhancements
-
Bug fixes
-
Chores
- Bump react-pdf from 5.7.0 to 7.7.3 (#1909)
(2024-04-26)
-
Features and enhancements
-
Bug fixes
-
Refactor
- gate transfer - streaming data transfer to Chemotion Rep… (#1882)
(2024-04-16)
-
Bug fixes
- analysis name issue (#1846)
- NMRium button disabled on 2D NMR (#1848)
- multiple API calls for empty deviceBox (#1867)
- add cell lines to structure search result (#1871)
- svg scrubber (#1876)
UX/UI
-
Chores
(2024-03-28)
-
Features and enhancements
UX/UI
- Unified attachment list (#1608)
- Add column header menus to
ReactionVariationstable (#1804) - extended search (#1194)
- add element cell line (#1582)
- converter download (#1688)
- analysis attachment groups (#1674)
- add sample inventory label counter (#1581)
- upgrade converter to v1.2.0 (#1704)
- sort the device list by name in command_n_control (#1707)
- Add models VesselTemplate, Vessel, CollectionsVessel (#1548)
- analysis comment button and box for analysis tab (#1696)
- filter jdx files to be processed by converter-app (#1712)
- Inbox device folders named with the device full-name (#1709)
- add helpdesk link in header (#1713)
- data collector mechanism is modified to collect files/folders from user-level directories (#1728)
- allow import of sample external label on sample import (#1767)
- save button for chemical inventory in sample header (#1810)
- Copy research plan (#1667)
ChemSpectra and NMRIUM
-
Bug fixes
- remove original data in nmrium file (#1661)
- attached research_plans in screens not being imported from collection (#1671)
- remove duplicate user label and centering share button (#1682)
- temperature conversion (#1680)
- NMR zip upload (#1690)
- show
Tooltipon "+" button in "Variations" tab (#1694) - include reaction variations in
.docxreport (#1697) - amount change of a reaction product from the sample properties tab (#1692)
- sample entry label alignment (#1693)
- data cannot be removed from segment of element (#1711)
- dfg logo resource in README.md (#1710)
- focus lost on input bug for melting & boiling points fields (#1716)
- nmrium button in research plan (#1715)
- export research plan as docx (#1718) (#1718)
- nmr prediction freezes (#1720)
- advanced search not working - cell-line (#1733)
- avoid loading the comments if the user does not have UI permission for comments (#1727)
- generic dataset general info for CV (#1762)
- Quill editor menu bar for admin text template (#1765)
- devcontainer (#1771)
- si spectra report generation for reaction with multiple products (#1777)
- thumbnail load issue in Preview page (#1754)
- Make
prepare-ruby-dev.shexecutable (#1784) - display jcamp in nmrium (#1789)
- save correct combined image (#1772)
- disabled create button for synced collection (#1811)
- advanced search for temperature or time (#1816)
- delete user account without confirmation (#1828)
- safety sheets are not imported and significantly slow down the import (#1779)
- docx report of reactionless samples (#1835)
- incorrect calculation of volume ratio for purification solvents of reactions (#1833)
- avoid multiple API calls to load the inbox when datasets/attachments are deleted (#1839)
- handle sample xref properties for when xref is null (#1842)
- import collection export zip when directories entries present (#1841)
UX/UI
-
Code refactoring
-
Tests
-
Chores
- update runner - fix text (#1683)
- gem updates - fix missing constant MIME::Types (#1660)
- Bump puma from 5.6.7 to 5.6.8 (#1679)
- update ag-grid (#1714)
- Bump nokogiri from 1.15.5 to 1.16.2 (#1729)
- Bump rack from 2.2.8 to 2.2.8.1 (#1792)
- Bump yard from 0.9.28 to 0.9.35 (#1791)
- Bump json-jwt from 1.16.1 to 1.16.6 (#1802)
- Bump rails from 6.1.7.6 to 6.1.7.7 (#1787)
- Bump yard from 0.9.35 to 0.9.36 (#1800)
- ruby nodjs minor update (#1812)
- Bump webpack-dev-middleware from 5.3.1 to 5.3.4 (#1829)
- Bump express from 4.17.3 to 4.19.2 (#1840)
- default ketcher2 configs in UI Feature (#1843)
(2024-01-18)
- Features and enhancements
- feat: converter metadata added to dataset download (#1688)
(2023-12-21)
-
Features and enhancements
- converter trigger on inbox items (#1583)
- add the option to sort reaction list by updated time (#1461)
- sample list for decoupled (#1612)
- report peaks from XRD (#1614)
- display mail collector address (#1529)
- drag samples and elements to segment (#1623)
- export/import collection with chemicals (#1604)
- relax Mail collector rules (#1566)
- add volume field in inventory tab (#1613)
- show research plan links in reaction (#1575)
- sorting option for datasets and attachments in the inbox by creation-time or name (#1446)
- add the option to change the inbox sizing (#1645)
- add chemspectra with ref peaks (#1596)
UX/UI
-
Bug fixes
- bead not visible in preview and reaction details (#1607)
- the attachment does not get deleted from the inbox when it is assigned to sample (#1631)
- remove blank line when saving peak (#1629)
- allow import of molecule_name on sample import for xslx format (#1598)
- collection management right click on the add button to not drag things around (#1639)
- reaction sort column value not being persistent for updated_at column (#1643)
- si-spectra report generation to work even without preview (#1654)
- camelcasing attributes for proper display of SVGs (#1670)
- attached research_plans in screens not being imported from collection (#1671)
ChemSpectra and NMRIUM
- correctly trigger action spinner when saving peaks to avoid race condition (#1651)
- order of J value (#1649)
- react-spectra-editor upd to correct molecule display with svg zoom pan (#1656)
- prevent crash on CV layout (#1637)
- update nmrglue in spectra-app to read some bruker file issue (#1603)
- update react-spectra-editor version to fix
Add/remove multiplicity peakbuttons (#1630) - remove original data in nmrium file (#1661)
UX/UI
- molecule title layout and element table header responsiveness (#1650)
-
Chores
-
CI
- improve Dev Setup by autorecognizing the installed tool versions (#1665)
(2023-10-24)
-
Features and enhancements
- Reaction Variations (#1409, #1561, #1567) Docs
- LabiIMotion Integration (#1504) Docs
- Enhance import samples for sdf (#1364)
- Import export sample as chemical (#1524)
- Dry-solvent properties in the solvents section in the reactions table (#1432)
- Expand calendar function to generic element (#1585)
UX/UI
ChemSpectra and NMRIUM
-
Bug fixes
- assets precompilation css issue (#1538)
- comment fetch issue on new entities with code refactoring (#1547)
- show example label for reaction (#1556)
- current_user.matrix getting null value (#1554)
- load cas for molecules (#1555)
- no attachments after research plan save (#1564)
- sample properties tab (#1503)
- Admin seed: ensure exisiting Admins have a profile (#1572)
- assign only boolean values for decoupled column in import samples (#1571)
- disable spectra button when just uploading an image (#1568)
- atttachment converter trigger (#1578)
- reaction calculation when no reference material present (#1589)
- reaction list display break when reaction status not standard (#1592)
ChemSpectra and NMRIUM
-
Code refactoring - Test - CI - Chores
(2023-10-16)
(2023-10-09)
(2023-10-09)
(2023-09-20)
- Features and Improvements:
(2023-09-20)
-
Features and Improvements:
- Always sort new sample tasks on top of list #1456
- add fluorescence (emission), DLS ACF, DLS Intensity layouts #1374
- Update CDCl3 solvent value on chemspectra and fix typo #1480
- Reaction table dropdown value updates #1433
- select all option for device inbox folder by #1437
- Show sample name in SampleTask Api #1518
- update ext links in the Navbar menu dropdown #1534
- Allow deletion of SampleTasks and fix SampleTask Inbox scroll issues #1444
- add-analysis button always visible #1465
-
chore:
-
Fixes:
- disable_chemrepoidjob #1451
- quill_to_html when type HashWithIndifferentAccess #1458
- display the not-accessible panel for 401 status on sample fetched by id #1469
- image annotation tool image preview does not work as expected #1467
- White screen research plan #1452
- wellplates multiple readouts design tab #1474
- Cypress Tests #1481
- the issue with NMRium wrapper version 0.4.0 #1436
- nmrium button #1460
- replace toSorted with manual sorting in SampleTaskInbox #1485
- duplicate jdx files by #1479
- sorting multiplicity values #1478
- inbox UnsortedBox issues #1447
- deletion of literature #1502
- doi not accepted #1486
- fixed wrong literatures mapping #1506
- ignore predictions when it is null #1507
- crash when selecting multiplicity checkbox on chemspectra #1509
- sync chemspectra nmrium eln v173 #1513
- Update Chemspectra to handle 'FL Spectrum' datatype and fix cannot read processed Bruker data NMR #1528
- yield percentage error for reactions with decoupled products and … #1531
- reaction sort column default to created_at #1533
(2023-08-01)
- Fixes:
- Comment functionality, closes #1435
- Sort reactions by creation time 4922fc3, closes #1439
- display wrong shifted peaks after zoom, closes #1443
2023-07-27
- Fixes:
2023-07-11
-
Features and Improvements:
- Inventory Feature #1262 - see docs
- Comment functionality on shared and synchronized collections #1237 - see docs
- calendar #1189
- collection profile for element tab layout #681 - see docs
- cas as option in import samples to collection function #1306
- chemspectra with aif layout #1335
- Feature/elements grouping #1188
- enhance import sample feature #1347
- Groups ui revamp and making group admins set/unset admins #1396
- Add inbox pagination #1108
- login-and-signup-configurable #1377
-
Fixes
2023-07-10
- Fixes
- Expose target amount in sample task api (#1373)
- User select in UI feature (#1385)
- refactoring transfer (#1320)
- login-and-signup-configurable (#1377)
- structure editor with decoupled sample (#1393)
- Text editor in researchPlan is now getting removed properly (#1363)
2023-06-19
- Fixes
2023-05-09
-
Features and Improvements:
-
Fixes
- port fixes from v1.5.3 v1.5.4
2023-05-09
-
Admin: it is possible to reprocess SVGs images of molecules and samples (see docs)
-
Fixes
- datacollector: find user by insensitive case name_abbreviation #1302
- eln to work with onlyoffice 7 #1278
- correct url building for inbox item notification #1299
- Cas datamodel change #1287
- Migration fixes #1307
- reactants from reagent list do not appear above reaction arrow #1308
- Search api: fix ActiveRecord::UnknownAttributeReference on sum-formulae #1310
2023-04-21
- Fixes
- analyses-dataset issue #1271
- missing index in container entity #1277
- Report of samples with reaction description: fix calling of descripti..1281
- fix crash when open and save nmrium #1275
- Mail-collector: write tmp file to pass path #1284
- New purification method of Precipitation #1290
- 1285 do no cache the welcome message #1286
- 1289 saving wellplate causes white screen #1295
- Chemdraw JS doesn't work on Google Chrome 111.05563.x #1266
- show results from calculations #1291
- report issue fix #1296
2023-04-11
- Fixes
- port fixes from v1.5.2
2023-04-11
- Fixes
- AttachmentAPI: quote filename in content-dispostion header #1250
- spectra: fix cannot sync 1d data #1227
- Ease shrine derivative access #1255
- update chem-spectra-app to version 0.11.2 #1263
- Literature entity to return reference data and doi #1257
- 1260 report UI to not break if a report template cannot be found #1261
- Fix the creation of sample with invalid label 'NEW SAMPLE' #1240
- Use db-generated uuid for building the attachment shrine id #1259
2023-03-28
-
Features and Improvements:
- Shibboleth authentication #1239
-
Fixes
- content-disposition header preventing fetching image properly #1250
2023-03-24
- Fixes
- omniauth provider entity fix #1217
- PDF attachments in Analyses Tab now readable #1197
- reset melting & boiling point for products on reaction copy #1221
- Minor image annotation fixes #1223
- cannot save 2D data #1178
- tab layout popups #1212
- cannot work with Bruker FID #1232
- Update sample task api for changes in Chemobile App #1216
- white screen on the homepage after login #1231
- Set default search type value (EXACT) #1224
- Updated welcome message to point to new docs URL #1236
- export wellplate samples error fix by #1235
2023-03-14
-
Important for admin and developers:
- Gem Shrine is now used to handle attachment files:
- if you use a custom config/storage.yml file, ensure your shrine config/shrine.yml is correct or DB migrations will fail
- Upgrade Rails to 6.1
- Gem Shrine is now used to handle attachment files:
-
Features and Improvements:
-
Fixes
- Chemspectra: The issue of multiplicities on chemspectra frontend are not removed when changing between layouts with the old JCAMP design is fixed
- Chemspectra: Spectra can be processed even when the molfile is invalid (ComPlat#951) (Warning: update chem-spectra-app service to 0.11.0)
- Affiliation autocomplete (sign up page)
- CAS not searchable (index search might need to be rebuilt)
- molecule image cropped in chemspectra
- others
2022-11-09
-
Features and Improvements:
- Allow selection of default drawing editor on individual user level settings Allow selection of default drawing editor on individual user level settings #632
- Use 'Search CAS' instead of 'CAS content' based on final feedback from CAS
- Ketcher Service on HTTPS
-
Fixes:
- An incomplete SVG file is generated after sanitizing the SVG
- chemspectra on Reaction and ResearchPlan analyses
- chemspectra display of XRD data
- DataCollector: deletion of folder
- Incorrect application root url in Jobs
- client handling of attachment hyperlinks
- misleading tooltip in the user list (Admin UI)
- proper version of chemspectra app
2022-09-26
-
Important for admin and developers:
- change of environment variable: use PUBLIC_URL instead of HOST and SMTP_HOST
- nodejs upd to 14.20.0
- drop support for bionic
-
Features and Improvements:
- ketcherservice: server generation of sample svg
- Reaction coefficient: improve yield calculation (ComPlat#544)
- Metadata-converter: v0.6.0
- Chemspectra: v0.10.15 (allow reprocessing, read Bruker processed files if present)
- Inbox: delete multiple attachments at once (ComPlat#571)
- research-plan: improve context-menu in tables
-
Fixes:
- SVG generation for sample and reaction: (ComPlat#846)
- Sample amount metric
- report svg composer: skip image if image file does not exist.
- chemspectra: duplicate image generation
2022-07-07
-
Features and Improvements:
- Download of large dataset as background job to avoid timeout (ComPlat#785)
-
Fixes:
- Reaction title on research-plan (ComPlat#787)
- Well-details scrolling (ComPlat#669)
2022-07-05
-
Features and Improvements:
- dataset selection in chemspectra viewer dataset selection in chemspectra viewer #715
- Screens:
- Research Plans may be added to Screens
- Associated Research Plans may be edited from Screens
- Research Plans:
- Wellplates may be added to Research Plans
- Wellplates:
- Add short label with user prefix and user's Wellplate count
- Wells have multiple readouts now
- Add title for readouts and display of multiple readouts in designer and list
- Add attachments
- Add import for well data from .xlsx and import template .xlsx
- Collection Tag for research-plan screen (ComPlat#774)
- Chemspectra : Cyclic Voltametry (Warning: upd chem-spectra-app service to 0.10.14)
- ResearchPlan link to reactions and samples (ComPlat#666)
- No reaction-svg when no material present (ComPlat#691)
-
Fixes
- report: fix the label can't be assigned issue ComPlat#661
- Reference Style improvement Reference Style improvement #695
- Adjust docker setup to work on mac
- prevent unecessary building of reaction svg on description text input (ComPlat#759)
- elemental composition value with 2 decimals (ComPlat#739)
- reference Manager issues (ComPlat#708 ComPlat#756 )
- Missing attachment preview in research plan (ComPlat#751)
2022-05-10
- Fixes
- export dataset attachments with no hyperlink present
- analysis: preview latest processed image
- rails patch upd
- npx audit fix
2022-04-14
- Features and Improvements:
- fast input: sample creation
- users can create samples by entering the CAS Registry Number or SMILES
- SciFinder-n Search: integrate SciFinder-n into ELN and user can search in SciFinder for substances/reactions/references/suppliers by structure
- analytics converter integration
- OIDC signin
- fast input: sample creation
2022-04-14
- Fixes
- Ketcher icons missing (since 1.1.3)
2022-04-05
- Fixes
- npx-audit and Gem patches
- migration
- reaction prediction UI
2022-03-25
- Fixes
- upd chemspectra client: XRD d-value
- add product to reaction
2022-03-08
- Fixes
- uniq sample short-label while creating reaction
- customized toolbar refresh issue in quill editor
- rendering of the group list when deleting multiple groups
- permission to add elements to sync-collections
2022-01-18
-
NB:
- Admin: if applicable, chemspectra backend should be updated to version 0.10.13
- Developers: reactjs updated to 17
-
Features and Improvements:
- export sample: literature option for excel list ComPlat#554
- report: Add literature section in standard sample report ComPlat#554
- report: Add more information to standard reaction report ComPlat#523
- attachments-inbox: filename matching with sample’s “name” or “external name”. ComPlat#537
- attachments-inbox: case-insensitive matching ComPlat#537
- attachments-inbox: added labels “product” or “start material” if applicable ComPlat#537
- attachments-inbox: when the assignment is completed, send a notification to user’s message box ComPlat#537
- attachments-inbox: filename matching to support files from ELA system.
- chemspectra: UV-vis layout extension (part of ComPlat#531 )
- chemspectra: Add further functions to XRD layout ComPlat#532
- wellplate designer: select info and colour to be displayed in well (ComPlat#556, ComPlat#558)
- wellplate designer: print wellplate as pdf (ComPlat#555)
- name_abbreviation regexp validation is configurable
- swagger documentation: visibility of endpoints doc customizable
- rename tab 'literature' to 'references'. Please update the current profile_default.yml with the new one.
- Admin user management: add multiple users from file.
-
Fixes
- import collection failed due to some molecules cannot be created successfully cannot create molecule with given molfile
- filtering product samples of reactions when filter is on on sample list
- ComPlat#584
- Notification channels: correct wrong data format
2021-10-21: https://github.com/ComPlat/chemotion_ELN/releases/tag/v1.0.3
- Fixes
- reseach-plan .docx export: convert SVG to PNG sample/reaction images
- collection import with sample missing molecule_name: use default value
- structure editors: added public/editors to ease set up
- node post-install fx to resolve node_modules path when located outside of app (docker)
2021-10-19: https://github.com/ComPlat/chemotion_ELN/releases/tag/v1.0.2
- Fixes
- DB migration: fix typo that could prevent updating from 0.9.1
- structure editor: chemdrawjs-20 support
- gate transfer: attachment checksum bckwrd compatibility
2021-10-11: https://github.com/ComPlat/chemotion_ELN/releases/tag/v1.0.1
-
Improvements
- LCSS display info only from ECHA source
- QuillEditor: added special characters menu for ResearchPlan
-
Fixes
- postinstall rewrite of some imports in citation.js to fix wbpk assets compilation
- Reaction SVG refresh after editing or adding samples
- Fix Cron Jobs for LCSS and Pubchem Info
- dev: fix reaction seeds
2021-09-22: https://github.com/ComPlat/chemotion_ELN/releases/tag/v1.0.0
-
Improvements
- Resize private note field and remove save button Private note rework #534
- Add hover over information to generic elements' symbols add hover over information to generic elements' symbols #524
- Structure editor configuration documentation
-
Fixes
- Adapt install_development.sh to Rails 5 environment adapt install_development.sh to Rails 5 environment #530
- Tab headers in navigation items are italic Tab headers in navigation items are italic #500
- Reaction svg shrinking or dedoubling
- Reaction svg size become smaller and the svg is overlapping
- Prevent hidden cell from being added to visible layout in tabslayout
- QC curation tab is not working
2021-08-26
-
Updates
- upd to rails from 4.2 to 5.2
- now using yarn instead of npm, and webpack instead of browserify
-
New features and improvements
- Private notes for samples
- Generic elements/segments/datasets
- Element details tab layout: segment tab to show if data present Element details tab layout: segment tab to show if data present #506
- In user view, enable the sorting of lines of a table generic elements, segments and analyses #480
- Add samples to generic element in table #461 Add samples to generic element in table #461
- Generic element/segment units (Joule) generic element/segment units (Joule) #457
- Administrator can export/import the generic template generic template upload and download #444
- Revision control, track changes of the template and user inputs generic revision feature #443
- Drag and drop sample/molecule to the table ELN Adminstration/generic elements: Create a table for drag and drop Sample/Molecule #437
- new units for generic sections new units for generic sections #436
- new units for generic sections new units for generic sections #434
- Add new field type: Upload in generic element/segment #400 Upload option in generic element/segment #400
- Send welcome email for new users Customized welcome email to new user #483
- Instance customizable home page as MD file Display customized welcome message at home page #470
- Decoupled sample
- Remove name in scheme for decoupled sample remove name in scheme for decoupled sample #465
- Add "undefined structure" as default value for decoupled samples Add "undefined structure" as default value for decoupled samples #463
- Provide table function in generic element/segment table function #414
- Revamp of analytics inbox
- Report template management
- Device metadata
-
Fixes
- rename chemotion.net to chemotion-repository.net in the Collection Bar rename chemotion.net to chemotion-repository.net in the Collection Bar #515
- input field on ipad Not all fields work normally with ipad #458
- The permission level "delete" in sharing collections doesn't work and the receiver can't delete The permission level "delete" in sharing collections doesn't work and the receiver can't delete #425
- truncated reaction svg
- upload of large files
- reload of reports
2021-06-04: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.9.1
- Fixes
- sync/share deletion permission
- Admin: segment deletion
2021-05-26: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.9.0
-
Features
- Decoupled sample: molfile-less sample creation
- Generic-element/segment (Beta): customizable data structure
-
Fixes
- serialization of sdf-imported molecules with improper file encoding
2021-04-28: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.8.0
-
Features
- option to decouple sample from molfile defined molecule - enable user custom MW input (Admin has to enable the feature)
- research-plan table: switch to using ag-grid - enable moving row/columns with d-n-d
- nmr_sim ELN plugin installed by default
-
Fixes
- Add configurable default profile for Element-Detail tab sortings
- slow opening of reaction panel: rm debounce
- green-chemistry: fix checkbox rerendering in table cell
- Analytics atom count scenari
- default favicon if none present
2021-03-26: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.7.1
-
Features
- sorting of tabs in Element-detail Panel (Sample, Reaction,...)
-
Fixes
- mimemagic gem updated due to previous version forced retirement
- research-plan table: cell focus input
- slow opening of reaction panel: rm debounce
2021-03-15: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.7.0
2019-12-16: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.6.0
- Features
- minor UX improvements
- admin UI for data-collector and noVNC connection
- improve report UI performance
2019-10-08
-
Features
- Analysis type according to Chemical Ontology (owl)
- export data from whole collections as zip (and import them)
- server notification system to users. E.g: user get notified when:
- the report generation is done
- it needs to refresh the browsers page to reload the cached application (update)
- Admin UI:
- NB: migrations will seed a default admin account => you need to change its password
email:
[email protected], pw:PleaseChangeYourPassword - basic user management functions + direct notification to user
- DataCollector device configuration
- global notification to users
- NB: migrations will seed a default admin account => you need to change its password
email:
- Green Chemistry calculator for reaction
- RInChI integration
- new reporting functions
- sample/reaction large image preview from their element lists on hover
- clone samples/reactions to one's Chemotion Repository account (chemotion.net)
-
Upgrade Notes:
- must do: change the default password of the default admin account (vide supra)
- should do: reports are now stored as attachments run rake task
data:ver_20180812115719_add_colums_to_attachmentto ensure the retrievability of previously generated reports
yyyy-mm-dd
-
Features
- Element list: added time range filter / product filter
- enhanced data collector, new configuration (Breaking change)
- Export reactions as reaction smiles
- Extract RSMI from docx embedded cdx object
-
Fixes
- Report formating
- shared collection from deleted account
yyyy-mm-dd
-
Features
- upg Rails to 4.2.10 nvm to 6.10.2
-
Fixes
- Docker: node_modules as volume
- collection_tag update after element re-assignmnet to former collection
2017-11-15: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.3.0
-
Features
- Export reaction smiles
- reporting: revamp of UI
- reporting: analysis metadata formating
- user affiliations management
- revamp of sample/reaction detail UI
- select the sample molecule_name to display
- fetch CAS from pubchem
- uuid (qr code) for each element (sample, reaction, analyse)
- export samples as sdf
- adv search
- Docker install
-
Fixes
- search result element ordering
- dependent destroy of collections-elements
- sample density default set to 0
- react production build
2016-11-02
-
Features
- Temperature Chart with unit converter (°C, °F , K) for reaction
- Import molecules and create samples from a sd file (R group and polymer support are not supported)
- Images in report doc are from eps files
- rearrange the reaction list for a report by Drag-and-drop -ing
- Text editing and formating tool bar for the reaction description
-
Fixes
- upgrade to Ruby 2.3.1
- The Upload of analyses files does not fail if the thumbnail creation does
2016-10-17: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.2.0
-
Features
- sharing data with a group of users
- substructure search with fingerprint algorithm
- multiple solvents for reactions
- drag-and-drop of sample to reaction solvent
- user-defined chemical structure templates
- common chemical structure templates
- synchronized collections
- added full-screeen button to element view
- database and attachments backups
- better import feature
- advanced export options
- generate reports in .doc format
- different naming for reaction product
- add concentration to sample in solution
- updates in reporting system
- molecular weight calculation in real time Ketcherails v0.1.1
- molecular weight calculation for selected structure part in real time Ketcherails v0.1.1
- warning for user when editing parent/child sample: parent/child samples structures are not automatically updated
- reactants are not appearing in the samples list anymore
- added more details to sample analyses header
- style and user interface improvements
- zooming of reactions SVGs
-
Fixes
- user created samples counter is not decremented on deletion
- add material for reaction
- do not show non-saved collection in collection tree
- edit sample from reaction
- better scaling of sample and reaction SVG images
- multiple bug fixes
2016-05-31: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.1.0
-
Features
- ELN for (organic) chemistry ton to element view
- database and attachments backups
- better import feature
- advanced export options
- generate reports in .doc format
- different naming for reaction product
- add concentration to sample in solution
- updates in reporting system
- molecular weight calculation in real time Ketcherails v0.1.1
- molecular weight calculation for selected structure part in real time Ketcherails v0.1.1
- warning for user when editing parent/child sample: parent/child samples structures are not automatically updated
- reactants are not appearing in the samples list anymore
- added more details to sample analyses header
- style and user interface improvements
- zooming of reactions SVGs
-
Fixes
- user created samples counter is not decremented on deletion
- add material for reaction
- do not show non-saved collection in collection tree
- edit sample from reaction
- better scaling of sample and reaction SVG images
- multiple bug fixes
2016-05-31: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.1.0
- Features
- ELN for (organic) chemistry