Struct CifStructure 

pub struct CifStructure {
    pub structure_id: String,
    pub name: String,
    pub cell: UnitCell,
    pub space_group: SpaceGroup,
    pub sites: Vec<CifAtomSite>,
    pub source: CifStructureSource,
    pub cell_standard_uncertainties: [Option<f64>; 6],
    pub diagnostics: Vec<CifDiagnostic>,
    pub metadata: BTreeMap<String, String>,
}

Parser-independent native crystallographic structure.

Fields

structure_id: String

Stable ID derived from the selected block name.

name: String

Human-readable chemical/phase name.

cell: UnitCell

Validated direct unit cell.

space_group: SpaceGroup

Exact validated conventional symmetry operations.

sites: Vec<CifAtomSite>

Independent atom sites in source order.

source: CifStructureSource

Source provenance.

cell_standard_uncertainties: [Option<f64>; 6]

Optional standard uncertainties for a,b,c,alpha,beta,gamma.

diagnostics: Vec<CifDiagnostic>

Import diagnostics also returned at the top level.

metadata: BTreeMap<String, String>

Small textual metadata extracted from CIF.

Trait Implementations

impl Clone for CifStructure

fn clone(&self) -> CifStructure

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for CifStructure

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

Formats the value using the given formatter.

impl PartialEq for CifStructure

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

Equality operator ==.

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

Inequality operator !=.

impl StructuralPartialEq for CifStructure