upf 0.1.1

Rust library for reading UPF text into typed structs and writing validated UpfData back to UPF
Documentation 
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use upf::from_str;

const MINIMAL_UPF: &str = r#"
<UPF version="2.0.1">
  <PP_HEADER generated="unit" author="tester" date="2026-04-03" comment="minimal"
             element="He" pseudo_type="NC" relativistic="scalar"
             is_ultrasoft="F" is_paw="F" is_coulomb="F"
             has_so="F" has_wfc="F" has_gipaw="F" core_correction="F"
             z_valence="2.0" total_psenergy="-1.25"
             wfc_cutoff="20.0" rho_cutoff="80.0"
             l_max="0" l_max_rho="0" l_local="0"
             mesh_size="3" number_of_wfc="0" number_of_proj="0" />
  <PP_MESH dx="0.1" mesh="3" xmin="0.0" rmax="0.2" zmesh="1.0">
    <PP_R>0.0 0.1 0.2</PP_R>
    <PP_RAB>0.1 0.1 0.1</PP_RAB>
  </PP_MESH>
  <PP_LOCAL>1.0 2.0 3.0</PP_LOCAL>
  <PP_NONLOCAL />
  <PP_RHOATOM>0.2 0.3 0.4</PP_RHOATOM>
</UPF>
"#;

#[test]
fn minimal_document_deserializes_core_sections() {
    let doc = from_str(MINIMAL_UPF).unwrap();

    assert_eq!(doc.version, "2.0.1");
    assert_eq!(doc.header.element, "He");
    assert_eq!(doc.mesh.r.values, vec![0.0, 0.1, 0.2]);
    assert_eq!(doc.local.values, vec![1.0, 2.0, 3.0]);
    assert_eq!(doc.rhoatom.values, vec![0.2, 0.3, 0.4]);
}