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@bw800402 bw800402 commented Jul 3, 2020

pulling in changes mainly for the benefits of
support molfile v3000
to use rdkitjs for some server functions

apar03 and others added 13 commits February 26, 2020 09:32
* Squashed commit of the following:

commit 0927e6512b5ac504ef30dd03b3f9622269a308c3
Author: Apar Madan <[email protected]>
Date:   Fri Feb 21 08:26:58 2020 +0000

    write version

commit dfcc532d097f1c6742bfd1b51a850c76b6969cd4
Author: Apar Madan <[email protected]>
Date:   Thu Feb 20 11:25:43 2020 +0000

    Test

commit 080a0f38a930dcd84d6b7bba336e475b56382f5d
Author: Apar Madan <[email protected]>
Date:   Wed Feb 19 12:17:53 2020 +0000

    Adds R-Group and Attachment Points

commit 76845204e072b5e0a49f32ae13612d7821be94dd
Author: Apar Madan <[email protected]>
Date:   Wed Feb 19 11:26:48 2020 +0000

    Improve hack

commit f772c71e8db02701754c3d0f09d2558795eeb221
Author: Apar Madan <[email protected]>
Date:   Wed Feb 19 11:03:45 2020 +0000

    Adds test for Atom/Bond v3000 block

commit 244594215e81f208de83e4ec7378af54533c43ec
Author: Apar Madan <[email protected]>
Date:   Tue Feb 18 10:27:09 2020 +0000

    Add Bond CFG support

commit 5d0b529a37851f9538448f049ea145b4f4dc6c81
Author: Apar Madan <[email protected]>
Date:   Mon Feb 17 09:24:47 2020 +0000

    Follow-ups 2

commit 7bbd48556e92df744cb558aeaeb1afa2d5ddb730
Author: Apar Madan <[email protected]>
Date:   Mon Feb 17 09:16:49 2020 +0000

    nit

commit 4e24d6638c44ce82a3cd12f315a5361d1168e212
Author: Apar Madan <[email protected]>
Date:   Mon Feb 17 09:14:14 2020 +0000

    Follow-ups

commit 9787e622827f900ca6a1bac4b398573fb2f94ed1
Author: Apar Madan <[email protected]>
Date:   Fri Feb 14 08:36:14 2020 +0000

    SS-29595: [MOL V3000 writer for Ketcher]: Writes Atom Block and Bond Block

Signed-off-by: Apar Madan <[email protected]>

* Squashed commit of the following:

commit 994bdc8c759cc345a3216e65a5042373a3174e5c
Merge: 9150e712 0927e651
Author: Apar Madan <[email protected]>
Date:   Fri Feb 21 11:03:28 2020 +0000

    Merge branch 'SS-29595' into SS-29661

commit 0927e6512b5ac504ef30dd03b3f9622269a308c3
Author: Apar Madan <[email protected]>
Date:   Fri Feb 21 08:26:58 2020 +0000

    write version

commit dfcc532d097f1c6742bfd1b51a850c76b6969cd4
Author: Apar Madan <[email protected]>
Date:   Thu Feb 20 11:25:43 2020 +0000

    Test

commit 080a0f38a930dcd84d6b7bba336e475b56382f5d
Author: Apar Madan <[email protected]>
Date:   Wed Feb 19 12:17:53 2020 +0000

    Adds R-Group and Attachment Points

commit 9150e712910c683eda92ed576f62ed3401d660f9
Merge: f4117fef 76845204
Author: Apar Madan <[email protected]>
Date:   Wed Feb 19 11:29:32 2020 +0000

    Merge branch 'SS-29595' into SS-29661

commit 76845204e072b5e0a49f32ae13612d7821be94dd
Author: Apar Madan <[email protected]>
Date:   Wed Feb 19 11:26:48 2020 +0000

    Improve hack

commit f4117fefa9983a32195ae65203095e8ea31153c9
Merge: 57c7a4c7 f772c71e
Author: Apar Madan <[email protected]>
Date:   Wed Feb 19 11:15:36 2020 +0000

    Merge branch 'SS-29595' into SS-29661

commit f772c71e8db02701754c3d0f09d2558795eeb221
Author: Apar Madan <[email protected]>
Date:   Wed Feb 19 11:03:45 2020 +0000

    Adds test for Atom/Bond v3000 block

commit 244594215e81f208de83e4ec7378af54533c43ec
Author: Apar Madan <[email protected]>
Date:   Tue Feb 18 10:27:09 2020 +0000

    Add Bond CFG support

commit 57c7a4c7d0156f6c8f1c04af42c39f1123b2dd11
Merge: 5e0c67f0 5d0b529a
Author: Apar Madan <[email protected]>
Date:   Mon Feb 17 09:49:58 2020 +0000

    Merge branch 'SS-29595' into SS-29661

commit 5d0b529a37851f9538448f049ea145b4f4dc6c81
Author: Apar Madan <[email protected]>
Date:   Mon Feb 17 09:24:47 2020 +0000

    Follow-ups 2

commit 7bbd48556e92df744cb558aeaeb1afa2d5ddb730
Author: Apar Madan <[email protected]>
Date:   Mon Feb 17 09:16:49 2020 +0000

    nit

commit 4e24d6638c44ce82a3cd12f315a5361d1168e212
Author: Apar Madan <[email protected]>
Date:   Mon Feb 17 09:14:14 2020 +0000

    Follow-ups

commit 5e0c67f04be633d29da2ee03933145bab4accdfb
Author: Apar Madan <[email protected]>
Date:   Mon Feb 17 04:53:06 2020 +0000

    SS-29661: Support writing reactions in V3000

commit 9787e622827f900ca6a1bac4b398573fb2f94ed1
Author: Apar Madan <[email protected]>
Date:   Fri Feb 14 08:36:14 2020 +0000

    SS-29595: [MOL V3000 writer for Ketcher]: Writes Atom Block and Bond Block

Signed-off-by: Apar Madan <[email protected]>

* Copy package.json
…Ketcher (#17)

Added a tool button that will call RdKitJS's API to add/remove explicit hydrogens.
Added logic for writing the collection block in molv3000
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3 participants