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CHANGELOG.md

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Chemotion_ELN Changelog

[v0.6.0]

2019-12-16

  • Features
  • minor UX improvements
  • admin UI for data-collector and noVNC connection
  • improve report UI performance

[v0.5.0]

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
    • 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_attachment to ensure the retrievability of previously generated reports

[v0.4.0]

  • 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

[v0.3.dev]

  • 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

[v0.3.0]

2017-11-15

  • 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
    • ....

[v0.2.1]

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

[v0.2.0]

2016-10-17

  • 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 [v0.2.0]: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.2.0

[v0.1.0]

2016-05-31 -Features: ELN for (organic) chemistry
[v0.1.0]: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.1.0