Struct chemrust_scanner::FinalReport

pub struct FinalReport { /* private fields */ }

Implementations

impl FinalReport

pub fn new( sphere_sites: Vec<BondingSphere>, circles: Vec<BondingCircle>, cut_points: Vec<CoordinationPoint>, multi_cn_points: Vec<CoordinationPoint> ) -> Self

pub fn sphere_sites(&self) -> &[BondingSphere]

pub fn circles(&self) -> &[BondingCircle]

pub fn cut_points(&self) -> &[CoordinationPoint]

pub fn multi_cn_points(&self) -> &[CoordinationPoint]

pub fn report_spheres(&self) -> String

pub fn generate_sphere_models( &self, lattice_model: &BasicLatticeModel, new_element_symbol: &str ) -> Option<Vec<(String, BasicLatticeModel)>>

pub fn generate_circle_models( &self, lattice_model: &BasicLatticeModel, new_element_symbol: &str ) -> Option<Vec<(String, BasicLatticeModel)>>

pub fn generate_cut_point_models( &self, lattice_model: &BasicLatticeModel, new_element_symbol: &str ) -> Option<Vec<(String, BasicLatticeModel)>>

pub fn generate_multi_point_models( &self, lattice_model: &BasicLatticeModel, new_element_symbol: &str ) -> Option<Vec<(String, BasicLatticeModel)>>

pub fn visualize_atoms(&self) -> Vec<Atom>

pub fn visualize_specific_sites<T>(&self, coordination_sites: &[T]) -> Vec<Atom>

where T: Visualize<Output = Vec<Atom>>,

Export all possible sites of one kind at once. E.g., all BondingSphere, all CoordinationPoint

Trait Implementations

impl Clone for FinalReport

fn clone(&self) -> FinalReport

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for FinalReport

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

Formats the value using the given formatter.