Module stereo 

Stereochemistry perception: CIP priority, R/S, and E/Z assignment.

Implements Cahn–Ingold–Prelog priority rules for chirality perception using depth-first graph traversal with phantom atom expansion.

Structs

AtropisomericAxis

An atropisomeric axis (restricted rotation around a single bond).

DoubleBondStereo

Result of E/Z assignment at a double bond.

HelicalChirality

Helical chirality (M/P) detected in helicenes, allenes with extended conjugation, or metallocenes with non-coplanar rings.

ProchiralCenter

A pro-chiral center (sp3 with two identical substituents).

StereoAnalysis

Complete stereochemistry analysis result.

StereoAtomDescriptor

Stereo descriptor for a single chiral center.

StereoBondDescriptor

Stereo descriptor for a double bond.

StereoDescriptors

Collection of stereo descriptors for a molecule.

Stereocenter

Result of R/S assignment at a single stereocenter.

Functions

analyze_stereo

Perform complete stereochemistry analysis on a molecule.

stereo_descriptors

Generate SMILES-style stereo descriptors from a stereochemistry analysis.