Module chemfiles_import 

Chemfiles multi-format import (real impl behind chemfiles feature; stubs otherwise). Chemfiles → CON conversion.

Real implementation requires the chemfiles Cargo feature (links libchemfiles). Without it, path/memory helpers are still present and return [ChemfilesImportError::FeatureDisabled] so call sites compile uniformly.

Enums

ChemfilesImportError

Errors from chemfiles I/O or conversion (or missing feature).

Constants

CHEMFILES_ATOM_NAMES_KEY

Display names in chemfiles / atom_id order.

CHEMFILES_ATOM_PROPS_KEY

Per-atom property bag key in frame metadata.

CHEMFILES_ATOM_TYPES_KEY

Atomic types in chemfiles / atom_id order.

CHEMFILES_EXTRA_PREFIX

Prefix for unmapped chemfiles frame properties in CON metadata.

Functions

chemfiles_enabled

Whether this build linked libchemfiles and implements import/selection.

con_frame_from_trajectory_path

Read the first frame from a trajectory path.

con_frames_from_memory

Read a trajectory from an in-memory buffer (chemfiles memory reader).

con_frames_from_trajectory_path

Open a trajectory with chemfiles and convert every step to ConFrame.