castep_cell_io/keywords/
mod.rs1mod constraints;
2mod kpoint;
3mod lattice;
4mod positions;
5mod species;
6mod symmetry;
7
8pub use constraints::ConstraintsKeywords;
9pub use kpoint::KPointKeywords;
10pub use lattice::LatticeBlockType;
11pub use positions::PositionsKeywords;
12pub use species::SpeciesKeywords;
13
14#[derive(Debug, Default)]
15pub enum ItemTypes {
16 #[default]
17 Block,
18 Physical,
19 Logical,
20 D,
21 RealVector,
22 IntegerVector,
23}
24
25#[derive(Debug)]
26pub enum KeywordType<'s> {
27 Block(&'s str),
28 Field(&'s str),
29}
30
31#[allow(non_camel_case_types)]
32#[non_exhaustive]
33#[derive(Debug)]
34pub enum DocumentSections<'s> {
35 CellLatticeVectors(LatticeBlockType),
36 IonicPositions(PositionsKeywords),
37 KPoint(KPointKeywords),
38 Constraints(ConstraintsKeywords),
39 Symmetry,
40 Species(SpeciesKeywords),
41 Misc(KeywordType<'s>),
42 End,
43}