manufac-analytics/inchi issues and pull requests

#56 - Add test cases

Pull Request - State: closed - Opened by saikat-samanta over 2 years ago

#55 - 🧪 Add test cases.

Issue - State: open - Opened by saikat-samanta over 2 years ago

#54 - Fix: Getting empty atom array in GetStructFromXYZ functions

Pull Request - State: closed - Opened by saikat-samanta over 2 years ago

#53 - port GetINCHI function through api.ts

Pull Request - State: closed - Opened by qur786 almost 3 years ago - 2 comments

#52 - Successfully build the source code

Issue - State: closed - Opened by maneetgoyal almost 3 years ago - 2 comments
Labels: good first issue

#51 - InChI vs smiles updated and hyperlinks added

Pull Request - State: closed - Opened by koustavpan almost 3 years ago

#50 - Answer SMILES v/s INCHI question

Issue - State: closed - Opened by maneetgoyal almost 3 years ago
Labels: documentation

#49 - Answer "What does Line Notation refer to in the field Cheminformatics?"

Pull Request - State: closed - Opened by koustavpan almost 3 years ago - 2 comments

#48 - Update README.md

Pull Request - State: closed - Opened by MBhavishya almost 3 years ago - 1 comment

#47 - Answer InChI related question given in README

Issue - State: closed - Opened by maneetgoyal almost 3 years ago
Labels: documentation

#46 - Update the text in README regarding Line Notation

Issue - State: closed - Opened by maneetgoyal almost 3 years ago
Labels: documentation

#45 - Add ffi test cases

Pull Request - State: closed - Opened by qur786 almost 3 years ago - 6 comments

#44 - Add more unit tests for `api.ts` functions

Issue - State: open - Opened by maneetgoyal almost 3 years ago
Labels: enhancement

#43 - Getting empty atom array in GetStructFromXYZ functions

Issue - State: open - Opened by maneetgoyal almost 3 years ago
Labels: bug

#42 - Port Generation of INCHI from structure

Pull Request - State: closed - Opened by qur786 almost 3 years ago

#41 - Test and have better error handling in server.ts functions

Issue - State: closed - Opened by maneetgoyal almost 3 years ago - 7 comments

#40 - serve api functions

Pull Request - State: closed - Opened by qur786 almost 3 years ago - 1 comment

#39 - minor refactor to Api comments

Pull Request - State: closed - Opened by qur786 almost 3 years ago

#38 - modify type definition in headers.ts

Pull Request - State: closed - Opened by qur786 almost 3 years ago - 7 comments

#37 - Modify type definition in headers.ts

Issue - State: closed - Opened by qur786 almost 3 years ago
Labels: bug

#36 - Add JSdoc comments for api wrapped functions

Pull Request - State: closed - Opened by qur786 almost 3 years ago

#35 - Port "Molecule Objects" functions

Issue - State: open - Opened by maneetgoyal almost 3 years ago - 1 comment
Labels: enhancement

#34 - Add interface comments

Pull Request - State: closed - Opened by qur786 almost 3 years ago - 1 comment

#33 - Dereference Object Properly

Pull Request - State: closed - Opened by qur786 almost 3 years ago

#32 - docs: Add JSDoc to INCHIAtom

Pull Request - State: closed - Opened by maneetgoyal almost 3 years ago - 1 comment

#31 - add test for hyphen at the end of inchi string

Pull Request - State: closed - Opened by qur786 almost 3 years ago

#30 - Dereference object properly

Pull Request - State: closed - Opened by qur786 almost 3 years ago

#29 - docs: add comment for github action error

Pull Request - State: closed - Opened by qur786 almost 3 years ago

#28 - Make CI Green

Pull Request - State: closed - Opened by qur786 almost 3 years ago

#27 - Add JSDoc comments for all api.ts functions to showcase their example usage

Issue - State: closed - Opened by maneetgoyal almost 3 years ago
Labels: documentation

#26 - Expose all functions in api.ts via server.ts also

Issue - State: closed - Opened by maneetgoyal almost 3 years ago
Labels: enhancement

#25 - Port "Generation of InChI from structure" via api.ts

Issue - State: open - Opened by maneetgoyal almost 3 years ago - 5 comments
Labels: enhancement

#24 - Dereference objects properly

Issue - State: closed - Opened by maneetgoyal almost 3 years ago - 12 comments
Labels: bug

#23 - Qur786/#20 add typedoc routine

Pull Request - State: closed - Opened by qur786 almost 3 years ago - 2 comments

#22 - Port Inchi Functions Phase 2

Pull Request - State: closed - Opened by qur786 almost 3 years ago

#21 - Deploy TypeDoc docs as Github Pages

Issue - State: closed - Opened by maneetgoyal almost 3 years ago - 1 comment
Labels: documentation, enhancement

#20 - Add Typedoc routine

Issue - State: closed - Opened by maneetgoyal almost 3 years ago
Labels: documentation, enhancement

#19 - feat: added wrapper function for GetStructFromInchI function

Pull Request - State: closed - Opened by qur786 almost 3 years ago - 5 comments

#18 - Update README.md

Pull Request - State: closed - Opened by qur786 almost 3 years ago

#17 - Port some InChI functions

Pull Request - State: closed - Opened by maneetgoyal almost 3 years ago - 5 comments

#16 - feat : migrated five inchi functions

Pull Request - State: closed - Opened by qur786 almost 3 years ago - 1 comment

#15 - Make CI green

Issue - State: closed - Opened by maneetgoyal almost 3 years ago - 2 comments

#14 - Port all test cases to Jest tests

Pull Request - State: closed - Opened by saikat-samanta almost 3 years ago - 5 comments

#13 - Port all test cases to Jest tests

Issue - State: closed - Opened by maneetgoyal almost 3 years ago - 4 comments

#12 - Testcase for INCHIGEN_DATA structure

Issue - State: open - Opened by SSaiPrasad7 about 3 years ago

#11 - headers.ts tests

Pull Request - State: closed - Opened by SSaiPrasad7 about 3 years ago - 1 comment

#10 - Conditional statement inside NORM_ATOM structure

Issue - State: open - Opened by SSaiPrasad7 about 3 years ago
Labels: enhancement

#9 - Instantiate different type strucs

Issue - State: closed - Opened by maneetgoyal about 3 years ago - 3 comments
Labels: enhancement

#8 - Port InCHI functions

Issue - State: open - Opened by maneetgoyal about 3 years ago - 9 comments
Labels: enhancement, good first issue, help wanted

#7 - dll interface

Pull Request - State: closed - Opened by SSaiPrasad7 about 3 years ago

#6 - dll output

Pull Request - State: closed - Opened by SSaiPrasad7 about 3 years ago - 3 comments
Labels: enhancement

GitHub / manufac-analytics/inchi issues and pull requests