Struct Stereocenter 

pub struct Stereocenter {
    pub atom_index: usize,
    pub element: u8,
    pub substituent_indices: Vec<usize>,
    pub priorities: Vec<usize>,
    pub configuration: Option<String>,
}

Result of R/S assignment at a single stereocenter.

Fields

atom_index: usize

Atom index of the chiral center.

element: u8

Atomic number of the center.

substituent_indices: Vec<usize>

Indices of the four substituents (CIP priority order: 1 > 2 > 3 > 4).

priorities: Vec<usize>

CIP priorities (1 = highest).

configuration: Option<String>

R, S, or None if undetermined.

Trait Implementations

impl Clone for Stereocenter

fn clone(&self) -> Stereocenter

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for Stereocenter

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for Stereocenter

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for Stereocenter

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.