Struct HelicalChirality 

pub struct HelicalChirality {
    pub backbone_atoms: Vec<usize>,
    pub configuration: Option<String>,
    pub helix_type: String,
    pub dihedral_angle: Option<f64>,
}

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

Fields

backbone_atoms: Vec<usize>

Atom indices that form the helical backbone.

configuration: Option<String>

Configuration: “M” (minus, left-handed) or “P” (plus, right-handed).

helix_type: String

Type: “helicene”, “allene”, “metallocene”.

dihedral_angle: Option<f64>

Dihedral angle of the helix (degrees).

Trait Implementations

impl Clone for HelicalChirality

fn clone(&self) -> HelicalChirality

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for HelicalChirality

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for HelicalChirality

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for HelicalChirality

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

where __S: Serializer,

Serialize this value into the given Serde serializer.