Struct BseBasisMinimal 

pub(crate) struct BseBasisMinimal {
    pub molssi_bse_schema: BseMolssiBseSchema,
    pub elements: HashMap<String, BseBasisElement>,
    pub function_types: Vec<String>,
    pub name: String,
    pub description: String,
}

Minimal basis set information for reader output.

Returned by read_formatted_basis_str, containing parsed basis set data without full metadata.

Fields

molssi_bse_schema: BseMolssiBseSchema

Schema information.

elements: HashMap<String, BseBasisElement>

Element data indexed by atomic number string.

function_types: Vec<String>

Function types in this basis set.

name: String

Basis set name.

description: String

Description.

Trait Implementations

impl Clone for BseBasisMinimal

fn clone(&self) -> BseBasisMinimal

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for BseBasisMinimal

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

Formats the value using the given formatter.

impl Default for BseBasisMinimal

fn default() -> BseBasisMinimal

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for BseBasisMinimal

fn deserialize<__D>( __deserializer: __D, ) -> Result<BseBasisMinimal, <__D as Deserializer<'de>>::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for BseBasisMinimal

fn eq(&self, other: &BseBasisMinimal) -> bool

Equality operator ==.

fn ne(&self, other: &Rhs) -> bool

Inequality operator !=.

impl Serialize for BseBasisMinimal

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

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl StructuralPartialEq for BseBasisMinimal