/** * Canonical molecular field names — the JavaScript mirror of * `molrs::store::keys` (Rust), which molpy also re-exports through * `molrs.fields`. * * molrs-wasm does not expose these constants to JS, so they are transcribed * here rather than each call site writing `"atomi"` inline for the fortieth * time. This module **defines nothing**: if a name here disagrees with * `molrs::store::keys`, this file is wrong. * * A drift gate lives in `python/tests/test_wire_parity.py`, which reads the * real `molrs.keys` and fails if these values fall out of step. * * @module */ /** Cartesian x-coordinate. */ export declare const X = "x"; /** Cartesian y-coordinate. */ export declare const Y = "y"; /** Cartesian z-coordinate. */ export declare const Z = "z"; /** The three Cartesian coordinate keys, in axis order. */ export declare const COORDS: readonly ["x", "y", "z"]; /** Element symbol of an atom (e.g. `"C"`). */ export declare const ELEMENT = "element"; /** Coarse-grained bead type (e.g. `"W"`). */ export declare const BEAD_TYPE = "bead_type"; /** Human-readable atom name (e.g. `"CA"`). */ export declare const NAME = "name"; /** Force-field / atom type label. */ export declare const TYPE = "type"; /** LAMMPS (and similar) numeric atom-type ordinal. */ export declare const TYPE_ID = "type_id"; /** Partial charge. */ export declare const CHARGE = "charge"; /** * Chemical bond class: 0 unknown, 1 single, 2 double, 3 triple, 4 aromatic. * Orthogonal to {@link BOND_NUMBER}. */ export declare const BOND_TYPE = "bond_type"; /** * Integer bond number of the localized Lewis/Kekulé structure: * 0 unknown, 1 single, 2 double, 3 triple. Never fractional. */ export declare const BOND_NUMBER = "bond_number"; /** Atomic mass. */ export declare const MASS = "mass"; /** Stable per-entity identifier. */ export declare const ID = "id"; /** Molecule identifier (groups atoms into molecules). */ export declare const MOL_ID = "mol_id"; /** Cartesian x-velocity. */ export declare const VX = "vx"; /** Cartesian y-velocity. */ export declare const VY = "vy"; /** Cartesian z-velocity. */ export declare const VZ = "vz"; /** The three Cartesian velocity keys, in axis order. */ export declare const VELOCITIES: readonly ["vx", "vy", "vz"]; /** Residue identifier (groups atoms into residues). */ export declare const RES_ID = "res_id"; /** Residue name (e.g. `"ALA"`). */ export declare const RES_NAME = "res_name"; /** First endpoint of a relation block (bond/angle/dihedral), 0-indexed. */ export declare const ATOMI = "atomi"; /** Second endpoint of a relation block, 0-indexed. */ export declare const ATOMJ = "atomj"; /** Third endpoint of a relation block (angle vertex / dihedral), 0-indexed. */ export declare const ATOMK = "atomk"; /** Fourth endpoint of a relation block (dihedral/improper), 0-indexed. */ export declare const ATOML = "atoml"; /** Relation endpoint keys in position order. */ export declare const ENDPOINTS: readonly ["atomi", "atomj", "atomk", "atoml"]; /** Conventional block names. Not from `keys.rs` — molrs names blocks at the * `Frame` level, and these are the two every reader and the renderer agree on. */ export declare const ATOMS_BLOCK = "atoms"; /** Conventional bonds block name. */ export declare const BONDS_BLOCK = "bonds";