Struct CrystalBuilder 

pub struct CrystalBuilder<LatticeState, AtomsState> { /* private fields */ }

use builder pattern so the validation is runtime To make it a compile time check, I can use the proc macro (build/build_unchcek API).

Example

use ccmat::*;

let lattice = lattice_angstrom![
    a = (1.0, 0.0, 0.0),
    b = (0.0, 1.0, 0.0),
    c = (0.0, 0.0, 1.0),
];
let atoms = vec![];
let crystal = CrystalBuilder::new()
    .with_lattice(lattice)
    .with_atoms(&atoms)
    .build()
    .unwrap();

Implementations

impl CrystalBuilder<LatticeNotSet, AtomsNotSet>

pub fn new() -> Self

impl<A> CrystalBuilder<LatticeNotSet, A>

pub fn with_lattice(self, lattice: Lattice) -> CrystalBuilder<LatticeSet, A>

impl<L> CrystalBuilder<L, AtomsNotSet>

pub fn with_atoms(self, atoms: &[Atom]) -> CrystalBuilder<L, AtomsSet>

impl CrystalBuilder<LatticeSet, AtomsSet>

pub fn build(self) -> Result<Crystal, CrystalValidateError>

build and validate the it is a valid crystal. At the moment only validate the size(positions) == size(numbers)

Trait Implementations

impl<LatticeState: Debug, AtomsState: Debug> Debug for CrystalBuilder<LatticeState, AtomsState>

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

Formats the value using the given formatter.

impl Default for CrystalBuilder<LatticeNotSet, AtomsNotSet>

fn default() -> Self

Returns the “default value” for a type.