Struct StereoGroup 

pub struct StereoGroup {
    pub kind: StereoGroupKind,
    pub atom_indices: Vec<AtomIdx>,
}

A named collection of stereocenters with a shared ambiguity classification.

Stored in [Molecule::stereo_groups]. The atom_indices list the 0-based internal AtomIdx values of the stereocenters that belong to this group.

Fields

kind: StereoGroupKind

atom_indices: Vec<AtomIdx>

Implementations

impl StereoGroup

pub fn new(kind: StereoGroupKind, atom_indices: Vec<AtomIdx>) -> Self

Construct a new stereo group.

Duplicate atom indices are silently removed (RDKit PR #9258: duplicate indices in StereoGroups caused heap-use-after-free during removeHs).

Trait Implementations

impl Clone for StereoGroup

fn clone(&self) -> StereoGroup

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for StereoGroup

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Eq for StereoGroup

impl PartialEq for StereoGroup

fn eq(&self, other: &StereoGroup) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl StructuralPartialEq for StereoGroup