mod pes_db

module pes_db

Durable readcon-db snapshots of exact minimum–saddle networks. Durable, content-addressed snapshots of exact PES networks.

Enums

enum PesDbError

Error preventing a network snapshot from being stored or trusted.

Database(readcon_db::Error)

readcon-db rejected an LMDB or frame operation.

Json(serde_json::Error)

JSON metadata could not be encoded or decoded.

Descriptor(crate::descriptor_space::DescriptorError)

Universal descriptor evaluation failed.

Frame(String)

CON frame construction failed.

InvalidRecord(String)

Stored metadata or graph references violate the versioned contract.

Structs and Unions

struct PesNetworkDatabase

One LMDB-backed corpus containing immutable PES-network snapshots.

Implementations

impl PesNetworkDatabase

Functions

fn open(path: impl AsRef<Path>) -> Result<Self, PesDbError>

Open or create a readcon-db corpus at path.

fn read_snapshot(&self, snapshot_id: u64, descriptor_space: &DescriptorSpace) -> Result<StoredPesNetwork, PesDbError>

Reload and validate one immutable network snapshot.

fn write_snapshot(&self, snapshot_id: u64, network: &PesNetwork, provenance: &PesProvenance) -> Result<PesSnapshotReceipt, PesDbError>

Append one immutable network snapshot as a readcon-db trajectory.

struct PesProvenance

Reproducibility metadata repeated in every frame of one snapshot.

campaign: String

Campaign identifier.

replica: u32

Producer replica identifier.

event_sequence: u64

Last producer-global event sequence included in the snapshot.

potential: serde_json::Value

Potential identity and parameters.

exploration: serde_json::Value

Exploration configuration, including ride and quench controls.

software: BTreeMap<String, String>

Exact software versions or source revisions by component name.

units: PesUnits

Native-to-CON unit conversion.

struct PesSnapshotReceipt

Content hashes produced by one committed database snapshot.

snapshot_id: u64

User-assigned readcon-db trajectory identifier.

frame_hashes: Vec<String>

xxHash3 fingerprints of the exact stored CON frame blobs.

struct PesUnits

Conversion from a surface’s native units to CON v3 storage units.

length_to_angstrom: f64

Multiply native coordinates and cells by this value to obtain Å.

energy_to_ev: f64

Multiply native energies by this value to obtain eV.

mass_to_amu: f64

Multiply native masses by this value to obtain atomic mass units.

native_length: String

Human-readable native length unit, such as sigma or angstrom.

native_energy: String

Human-readable native energy unit, such as epsilon or eV.

native_mass: String

Human-readable native mass unit.

Implementations

impl PesUnits

Functions

fn new(length_to_angstrom: f64, energy_to_ev: f64, mass_to_amu: f64, native_length: impl Into<String>, native_energy: impl Into<String>, native_mass: impl Into<String>) -> Result<Self, PesDbError>

Construct a finite, positive conversion contract.

struct StoredPesNetwork

Reloaded network, provenance, and storage-integrity hashes.

network: PesNetwork

Exact stationary-point network.

provenance: PesProvenance

Snapshot-wide producer provenance.

frame_hashes: Vec<String>

Exact stored-frame fingerprints in frame order.