* move _embedPoints over to use EmbedArgs structure
* move _embedWithExpTorsions over
* a few pointer cleanups
* step by step
* more
* wrap the ETKDG paramaters into a struct
* fix a typo
* additional cleanup
* more
* simplify the embedargs struct
* pass embedParams instead of having them in embedargs
* a bit more cleanup
* response to code review
* enforce planarity
* increase the force constant for the impropers
* force constant adapted
* reduced tolerance for planarity and force constants changed for some torsions
* tolerance for planarity increased a bit again
* cerr outputs removed
* planarity tolerance increased
* boost log added in planarity check
GraphMol/DistGeomHelpers/:
Support generating random initial coordinates of atoms as an alternative to embedding. This has so far only been tested on windows (all tests pass) and it needs to be optimized (particularly force field parameters).
Other changes here are primarily cosmetic code cleanups.