Skip to main content Crate readcon_core Copy item path Source pub use correspondence::CorrespondenceError ;pub use correspondence::IdentityCheck ;pub use correspondence::atom_id_permutation ;pub use correspondence::check_atom_id_consistency ;pub use correspondence::minimum_image_delta ;pub use correspondence::minimum_image_displacements ;pub use correspondence::reorder_like ;array Opaque numeric storage for builders and frames (metatensor v0.2.x shape). chemfiles_import Chemfiles multi-format import (real impl behind chemfiles feature; stubs otherwise).
Chemfiles → CON conversion. chemfiles_selection Chemfiles selection grammar on CON frames (real impl behind chemfiles feature; stubs otherwise).
Chemfiles selection grammar on CON frames. compression conbin CON-bin: one page of header, then every frame’s positions as one run
of little-endian values, then the velocities the same way. convert Foreign path / CON → CON write for stack migration (CLI + library).
Foreign path or CON → multi-frame CON write (migration surface). correspondence Pair atoms across frames by column-5 atom_id. distrib Rank conventions shared by every distributed entry point. error extxyz_scan Sequential extended-XYZ scan. ffi frame_index Frame offset index and its checked .rcidx sidecar. helpers Element symbol and atomic number lookup. hostlabel CPU model string used when a bench records one. index_proj Campaign screening scalars / CON ingest contracts for corpus stores (readcon-db).
Campaign-store index projection : screening scalars and contracts derived from
a parsed ConFramereadcon-db) do not
fork CON semantics. iterators parser pdb_scan Sequential PDB scan. rcso RCSO/RCSB cooked numerics for a caller-side broadcast. No MPI in this crate.
RCSO cooked SoA bytes for a caller-side MPI_Bcast. storage_dtype In-memory SoA element types (CON v3 storage_dtypes) and DLPack export. stream Frames parsed from a byte stream with about one frame in memory. trajectory Random access to the frames of one CON file. types units Unit expressions and conversion (metatomic-inspired, SI dimensional analysis). writer CON_SPEC_MINOR Minor implemented by this reader. Newer minors of major 3 are accepted.
An unknown section is skipped only when the frame minor is greater than
this value and section_arity gives the value-field count
(CON-section.8, CON-section.12, D14). CON_SPEC_VERSION CON/convel format spec version implemented by this build. VERSION Library version string, taken from the package version at compile time.
build.rs checks that it matches the VERSION file.