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Partial implementation: replace MultiMap in MoleculeRGroupsComposition class - Part 2, remove MultiMap completely #921

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Partial implementation: replace MultiMap in MoleculeRGroupsComposition class - Part 2, remove MultiMap completely #921

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Commits on Dec 7, 2022

  1. Issue #521: core: replace MultiMap with standard library container 

    Partial implementation: replace MultiMap in MoleculeRGroupsComposition class - Part 2
    Mikalai Sukhikh authored and Mikalai Sukhikh committed Dec 7, 2022
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  2. Issue #521: core: replace MultiMap with standard library container 

    Partial implementation: remove MultiMap implementation from the project completely. Fixes #521
    Mikalai Sukhikh authored and Mikalai Sukhikh committed Dec 7, 2022
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Commits on Jan 17, 2023

  1. #934: ci: update IronPython to 3.4.0 and .NET to 6.0

    @mkviatkovskii
    mkviatkovskii authored and Mikalai Sukhikh committed Jan 17, 2023
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  2. #929: fix .NET tests, add more diagnostics to Bingo tests failures

    @mkviatkovskii
    mkviatkovskii authored and Mikalai Sukhikh committed Jan 17, 2023
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  3. #929: fix .NET tests, fix Bingo tests that require importing targets … 

    …data
    @mkviatkovskii
    mkviatkovskii authored and Mikalai Sukhikh committed Jan 17, 2023
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  4. #929: fix Bingo tests import quoting

    @mkviatkovskii
    mkviatkovskii authored and Mikalai Sukhikh committed Jan 17, 2023
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  5. #929: ci: fix IronPython version on Win64

    @mkviatkovskii
    mkviatkovskii authored and Mikalai Sukhikh committed Jan 17, 2023
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  6. #929: fix auto-saving to CTAB v3000 (#931) 

    * #929: update test references

* #929: fix .NET tests on Linux

Co-authored-by: even1024 <[email protected]>
    @mkviatkovskii @even1024
    2 people authored and Mikalai Sukhikh committed Jan 17, 2023
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  7. Feature/885 cdx support (#936) 

    * refactoring cdxml loader

* refactoring cdxml reaction loader

* refactoring cdxml loader

* cdxml styles fix

* cdxml styles fix

* clang fix

* clang fix

* clang fix

* clang fix

* stereo chemistry fix

* clang fix

* clang fix

* padding fix

* remove printf

* remove printf

* stereo fix

* enum fix

* display fix

* removed bingo

* removed bingo

* removed bingo

* removed bingo

* removed bingo

* cdx saver

* cdx saver

* cdx saver

* cdx saver

* prepare PR

* prepare PR

* prepare PR

* prepare PR

* prepare PR

* prepare PR

Co-authored-by: Roman Porozhnetov <[email protected]>
    @even1024
    2 people authored and Mikalai Sukhikh committed Jan 17, 2023
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  8. #929: ci: fix Bingo build

    @mkviatkovskii
    mkviatkovskii authored and Mikalai Sukhikh committed Jan 17, 2023
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  9. Structures with the arrow lose their integrity when pressing 'Layout' #… 

    …938 (#939)

* bingo removed

* bump to 1.9.0-rc.1

* npm enable

* misc fixes

* misc fixes

* misc changes

* clang fix

* cdx test fix

* bump version to 1.9.0.rc.1

* clang fix

* text size fix

* unordered map fix

Co-authored-by: Roman Porozhnetov <[email protected]>
    @even1024
    2 people authored and Mikalai Sukhikh committed Jan 17, 2023
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  10. #934: api: tests: IronPython update to 3.4.0, fix API and Bingo tests (… 

    …#940)
    @mkviatkovskii
    mkviatkovskii authored and Mikalai Sukhikh committed Jan 17, 2023
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  11. Backmerge: Add support of R-groups to the CDX loader #36 (#951) 

    Co-authored-by: Roman Porozhnetov <[email protected]>

Co-authored-by: Roman Porozhnetov <[email protected]>
    @even1024
    2 people authored and Mikalai Sukhikh committed Jan 17, 2023
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  12. Backmerge: CDX import: Reaction arrows disappear when opening a file #… 

    …943 (#952)

* rgroups (#946)

Co-authored-by: Roman Porozhnetov <[email protected]>

* CDX import: Reaction arrows disappear when opening a file #943 (#948)

* marvin cdx fix

* clang fix

Co-authored-by: Roman Porozhnetov <[email protected]>

Co-authored-by: Roman Porozhnetov <[email protected]>
    @even1024
    2 people authored and Mikalai Sukhikh committed Jan 17, 2023
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  13. Backmerge: Bugfix/950 cdx aromatized structures (#954) 

    * rgroups (#946)

Co-authored-by: Roman Porozhnetov <[email protected]>

* CDX import: Reaction arrows disappear when opening a file #943 (#948)

* marvin cdx fix

* clang fix

Co-authored-by: Roman Porozhnetov <[email protected]>

* CDX import: Aromatized structures are not recognized when Pasting from Clipboard #950 (#953)

* bond order fix

* clang fix

* test fix

Co-authored-by: Roman Porozhnetov <[email protected]>

Co-authored-by: Roman Porozhnetov <[email protected]>
    @even1024
    2 people authored and Mikalai Sukhikh committed Jan 17, 2023
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  14. mem leak (#967) (#976) 

    Co-authored-by: Roman Porozhnetov <[email protected]>

Co-authored-by: Roman Porozhnetov <[email protected]>
    @even1024
    2 people authored and Mikalai Sukhikh committed Jan 17, 2023
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  15. Incorrect display of utf8 text in standalone #889 (#947) 

    * added own-built freetype; removed cairo-wasm

* returned freetype CMakeLists.txt to the original state

* fixed freetype building

* added sans fonts files

* added rendere_font_face_manager; support of external fonts

* added utf8 tests to indigo-ketcher

* clang-format fix for sans fonts files

* clang-format fix for font_face_manager files

* fixed build for non UNIX builds

* clang_format fix

* fixed freetype build

* selected FreeType License (FTL) as used license

* selected FreeType License (FTL) as used license

* moved sans fonts files; added OFL license file

* fixed build and CMakeFiles
    @IvanMinin
    IvanMinin authored and Mikalai Sukhikh committed Jan 17, 2023
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  16. Back merge: Error opening MOL and RXN files with RBC/SUB/UNC queries #… 

    …928 (#977)

* rbc & subst -2 (#969)

Co-authored-by: Roman Porozhnetov <[email protected]>

* SUBST -2 test

* comment fixed

Co-authored-by: Roman Porozhnetov <[email protected]>
    @even1024
    2 people authored and Mikalai Sukhikh committed Jan 17, 2023
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  17. docker-indigo-tester image build failed #987 

    See #987.
    @IvanMinin
    IvanMinin authored and Mikalai Sukhikh committed Jan 17, 2023
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