2 Commits

Author	SHA1	Message	Date
Eisuke Kawashima	e0b665bfe1	Clean up CMake files (#3417) ... * Clean up CMake files * bump CMake minimum required version to 3.7 to utilize [`VERSION_GREATER_EQUAL`](https://cmake.org/cmake/help/v3.7/release/3.7.html#index-0-command:if) * improve catch-dependency * fix conditionals * use early return * properly use CMake commands * Apply suggestions from code review Co-authored-by: Greg Landrum <greg.landrum@gmail.com>	2020-11-28 08:00:39 +01:00
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