Struct DataBlock 

pub struct DataBlock { /* private fields */ }

Implementations

impl DataBlock

pub fn from_heading_members( heading_member: (DataBlockHeading, Vec<DataBlockMember>), ) -> Self

pub fn find_loop_column_by_tag<T: AsRef<str>>( &self, tag: T, ) -> Option<LoopColumn>

pub fn find_single_value_by_tag<T: AsRef<str>>( &self, tag: T, ) -> Option<&SingleLineData>

pub fn heading(&self) -> &str

pub fn members(&self) -> &[DataBlockMember]

pub fn members_mut(&mut self) -> &mut Vec<DataBlockMember>

Trait Implementations

impl Clone for DataBlock

fn clone(&self) -> DataBlock

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl CoreAtomData for DataBlock

fn indices_repr(&self) -> Vec<usize>

fn symbols_repr(&self) -> Vec<ElementSymbol>

fn coords_repr(&self) -> Vec<CoordData>

fn labels_repr(&self) -> Vec<Option<String>>

impl CrystalModel for DataBlock

fn get_cell_parameters(&self) -> &impl UnitCellParameters

fn get_atom_data(&self) -> &impl CoreAtomData

fn get_cell_parameters_mut(&mut self) -> &mut impl UnitCellParameters

fn get_atom_data_mut(&mut self) -> &mut impl CoreAtomData

impl Debug for DataBlock

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

Formats the value using the given formatter.

impl Display for DataBlock

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

Formats the value using the given formatter.

impl<I> Index<I> for DataBlock

where I: Index<DataBlock, Item = DataItems>,

type Output = DataItems

The returned type after indexing.

fn index(&self, index: I) -> &Self::Output

Performs the indexing (container[index]) operation.

impl<I> IndexMut<I> for DataBlock

where I: Index<DataBlock, Item = DataItems>,

fn index_mut(&mut self, index: I) -> &mut Self::Output

Performs the mutable indexing (container[index]) operation.

impl SymmetryInfo for DataBlock

fn make_symmetry(&self) -> bool

fn get_space_group_it_num(&self) -> u8

1-230

fn get_space_group_hall_symbol(&self) -> HallSymbolNotation

impl UnitCellParameters for DataBlock

fn lattice_bases(&self) -> Matrix3<f64>

fn cell_volume(&self) -> f64

fn metric_tensor( &self, ) -> Matrix<f64, Const<3>, Const<3>, ArrayStorage<f64, 3, 3>>

fn length_a(&self) -> f64

fn length_b(&self) -> f64

fn length_c(&self) -> f64

fn angle_alpha(&self) -> f64

Should return radians!

fn angle_beta(&self) -> f64

Should return radians!

fn angle_gamma(&self) -> f64

Should return radians!

fn get_crystal_system(&self) -> CrystalSystem