* 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>
* 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
* Start of GettingStartedInC++ documentation.
* Changed GettingStartedInC++ from rst to markdown format. Added some more text.
* Added Working with Molecules to GettingStartedInC++
* Expanded on behaviour of Kekulize wrt clearing aromatic flags on atoms and bonds.
* Added section Modifying Molecules.
* More plodding progress.
* A load more documentation.
* Undid change to global CMakeLists.txt
* Minor editing of docs.
* Changed examples so they use RDBASE to find test data rather than relative
path.
* Fixed use of -std=c++ in CMakeLists.txt. Extra waffling about memory.
* Modifications to examples and documentation as requested.
* Couple of minor changes.
* Change to example11.cpp and associated text in docs.