Struct SerializableGeometry 

pub struct SerializableGeometry {
    elements: Vec<String>,
    coords: Vec<f64>,
    num_atoms: usize,
}

Serializable wrapper for Geometry.

Since Geometry contains a DVector<f64> which doesn’t directly serialize, this wrapper converts the vector to a plain Vec<f64> for JSON serialization.

Fields

elements: Vec<String>

Chemical element symbols

coords: Vec<f64>

Flattened coordinates as Vec<f64>

num_atoms: usize

Number of atoms

Trait Implementations

impl<'de> Deserialize<'de> for SerializableGeometry

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl From<&Geometry> for SerializableGeometry

fn from(geom: &Geometry) -> Self

Converts to this type from the input type.

impl From<SerializableGeometry> for Geometry

fn from(ser_geom: SerializableGeometry) -> Self

Converts to this type from the input type.

impl Serialize for SerializableGeometry

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

where __S: Serializer,

Serialize this value into the given Serde serializer.