Struct PharmFeature 

pub struct PharmFeature {
    pub feature_type: PharmFeatureType,
    pub atom_indices: Vec<usize>,
    pub centroid: Option<[f64; 3]>,
}

A detected pharmacophoric feature.

Fields

feature_type: PharmFeatureType

Feature type.

atom_indices: Vec<usize>

Atom indices contributing to this feature.

centroid: Option<[f64; 3]>

3D centroid of the feature (if coordinates available).

Trait Implementations

impl Clone for PharmFeature

fn clone(&self) -> PharmFeature

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for PharmFeature

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for PharmFeature

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for PharmFeature

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

where __S: Serializer,

Serialize this value into the given Serde serializer.