molframe_pdb/writer/
identity.rs

1//! Namespace-coherent PDB identifier projection.
2
3use molframe_core::structure::{AtomRef, ChainRef, ResidueRef};
4
5/// Identifier namespace projected into legacy PDB fields.
6#[derive(Clone, Copy, Debug, Default, PartialEq, Eq)]
7pub enum PdbIdentifierNamespace {
8    /// Normalized `label_*` identifiers.
9    #[default]
10    Label,
11    /// Depositor-provided `auth_*` identifiers.
12    Auth,
13}
14
15impl PdbIdentifierNamespace {
16    pub(crate) const fn as_str(self) -> &'static str {
17        match self {
18            Self::Label => "label",
19            Self::Auth => "auth",
20        }
21    }
22}
23
24pub(crate) fn chain_name(chain: ChainRef<'_>, namespace: PdbIdentifierNamespace) -> Option<&str> {
25    match namespace {
26        PdbIdentifierNamespace::Label => chain.label(),
27        PdbIdentifierNamespace::Auth => chain.auth_label(),
28    }
29}
30
31pub(crate) fn residue_sequence(
32    residue: ResidueRef<'_>,
33    namespace: PdbIdentifierNamespace,
34) -> Option<i32> {
35    match namespace {
36        PdbIdentifierNamespace::Label => residue.label_seq_id(),
37        PdbIdentifierNamespace::Auth => residue.auth_seq_id(),
38    }
39}
40
41pub(crate) fn atom_name(atom: AtomRef<'_>, namespace: PdbIdentifierNamespace) -> Option<&str> {
42    match namespace {
43        PdbIdentifierNamespace::Label => atom.name(),
44        PdbIdentifierNamespace::Auth => atom.auth_name(),
45    }
46}
47
48pub(crate) fn component_name<'a>(
49    atom: AtomRef<'a>,
50    residue: ResidueRef<'a>,
51    namespace: PdbIdentifierNamespace,
52) -> Option<&'a str> {
53    match namespace {
54        PdbIdentifierNamespace::Label => atom.component_name(),
55        PdbIdentifierNamespace::Auth => residue.auth_name(),
56    }
57}
molframe_pdb/writer/identity.rs

molframe_pdb/writer/
identity.rs
