Thread by @corvus_ikshana

lets deal with this mf now:
so the code has some functions,classes that do some stuff for us caveman's , Awoooga.

also python strong 💪, java weak ☹️

#StereoEnumerationOptions a class->configs how stereoisomers to be generated (you can pass params) 😇 github.com/rdkit/rdkit/bl…

then we have some helper classes, these will be called by others to do :

_BondFlipper-> flips the stereochemistry of a bond
_AtomFlipper -> flips the stereochemistry of an atom.
_StereoGroupFlipper-> flips stereochemistry of a group of atoms associated with a StereoGroup.

`_getFlippers` Function -> determines which flippers based on structure.
-identifies potential stereocenters

`GetStereoisomerCount` Function -> estimates the total no. of possible stereoisomers

uses info gathered by _getFlippers to calc an uppr bound on no. of stereoisomers.

`EnumerateStereoisomers` Function -> this is main boss here 💪.

-takes a molecule (m) and options
-calcs the no. of potential stereocenters and double bonds in the molecule.
-based on centers, decides whether to use a deterministic or random approach to generate combinations.

-for each combo: applies the possible stereochemistry changes to make new isomer.

- tryEmbedding` option lets you a generate a 3D conformation , like I showed my vs code.
-if isomer is valid, the code generates each valid stereoisomer one at a time ✌️.

me got low energy now, need to buy some banana's.
I now goes to market and buys banana's then play with ferns , cause I have life outside computer.

mom says too much computer is not good ✌️

shorturl.at/fghzO