10 Commits

Author SHA1 Message Date
Greg Landrum
568b9db0cb tag release (#6801) 2023-10-13 18:00:47 +02:00
Greg Landrum
dc16d0e160 Tag release and do final doc updates (#5669)
* tag release

* add registration hash to docs

* doc update for release
2022-10-21 07:52:30 +02:00
Greg Landrum
5167c99fa3 Documentation cleanup and update (#3922)
* include info about query rendering

* Fixes #3897

* update images

* better documentation for the conformer generator

* conformer not conformation

* switch to using context managers and make sure we add hs before generating conformers

* yay more docs

* Finishing #3917

* more documentation of backwards-incompatible changes
2021-03-17 09:02:12 +01:00
greg landrum
500e633c76 minor docs correction 2020-10-20 05:44:07 +02:00
greg landrum
7eda4708c1 update backwards incompatibility docs 2020-10-16 17:05:14 +02:00
Greg Landrum
b510e06720 Documentation update (#3488)
* remove a bad documentation file
add new documentation module stubs

* tweak docs
2020-10-13 04:45:44 +02:00
David Cosgrove
6d1266615b Updatecppdocs (#3039)
* Updated CMakeLists.txx

* Updated all examples, extended some.

* Added info about highlighting atoms.

* Added info about annotation to python getting started.

* Minor tweaks.

* Minor tweaks.  Can only examine the rst in GitHub.

* Minor tweaks.  Can only examine the rst in GitHub.

* get doctests working

* update an example image

* Include the GettingStartedInC++ doc in the standard docs build

* move the C++ docs after the python docs

* update backwards incompatible changes doc

Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
Co-authored-by: greg landrum <greg.landrum@gmail.com>
2020-03-27 14:19:17 +01:00
Greg Landrum
75920858c6 doc update 2019-10-18 06:52:52 +02:00
Greg Landrum
8240aa567f Docs/autodoc update (#2124)
* update the autodoc stuff for the Python docs

* document backwards incompatible changes

* cleanup

* python doc updates
2018-10-19 15:11:56 +02:00
Greg Landrum
d15efc1ac9 Make the defaults for some functions less error prone. (#1690)
* auto generate coords in mol block writer if includeChirality = True

* default to include chirality when writing mol blocks/files

* make isomeric smiles the default; note that not all tests are passing at the moment

* update a reaction test

* update expected cartridge search results
at this point all python, c++, and cartridge tests pass

* docs

* update incompatibility docs

* update doctests

* these now build

* minor example update

* update expected c++

* typo

* make allowCXSMILES=true the default

* add auto perception of chirality when reading 3D structures from mol blocks

* explain changes in release notes

* further doc update
2017-12-22 08:09:36 -05:00