Greg Landrum 2bc3a2d3e2 Allow disabling output of dative bonds to SMILES (#7384) ...

* basic code to convert dative to single if we aren't outputting dative to the SMILES

add forms of GetAtomSmiles() and GetBondSmiles() that take SmilesWriteParams

* dative/coordinate bond support when writing CXSMILES

* expose all of that to Python

* remove usage of _doIsoSmiles property
add params to smarts writers

* allow disabling dative bonds in SMARTS

* typo

* add support to the reaction writers

* support params for SMARTS

2024-05-25 06:48:55 +02:00

..

Analysis

this could have been added long ago

2012-02-16 04:29:46 +00:00

Book

Allow disabling output of dative bonds to SMILES (#7384)

2024-05-25 06:48:55 +02:00

Book_jp

Remove boost::regex support #6817 (#6913)

2023-11-21 07:58:29 +01:00

Code

Replace − (U+2212, MINUS SIGN) with -- (#3777)

2021-02-04 10:03:21 +01:00

Images

add a square white background

2015-12-05 04:57:19 +01:00

Notebooks

Add multi-threaded versions of some MolStandardize operations (#6909)

2023-11-24 18:36:17 -05:00

RD.css

Unset executable flag

2019-10-10 20:18:43 +09:00