Struct HapticInteraction 

pub struct HapticInteraction {
    pub metal_index: usize,
    pub metal_element: u8,
    pub ring_atoms: Vec<usize>,
    pub hapticity: usize,
    pub centroid: [f64; 3],
    pub metal_centroid_distance: f64,
}

Hapticity descriptor for metal-ring interactions.

Fields

metal_index: usize

Metal atom index.

metal_element: u8

Metal element (atomic number).

ring_atoms: Vec<usize>

Ring atom indices bound to the metal.

hapticity: usize

Hapticity (η number): number of contiguous ring atoms coordinated.

centroid: [f64; 3]

Centroid of the ring atoms (Cartesian Å).

metal_centroid_distance: f64

Metal-centroid distance (Å).

Trait Implementations

impl Clone for HapticInteraction

fn clone(&self) -> HapticInteraction

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for HapticInteraction

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for HapticInteraction

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for HapticInteraction

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

where __S: Serializer,

Serialize this value into the given Serde serializer.