`eon.status_codes`¶

Process-search termination codes shared with the C++ client.

Mirror of client/StatusTypes.h. The integer values are wire format written to results.dat by eonclient, so they MUST match the C++ eonc::SaddleStatus enumerators byte-for-byte. The Python side exposes them as IntEnum members so server code can compare against SaddleStatus.Good instead of the magic literal 0, while still accepting raw ints transparently from parse_results.

Whenever client/StatusTypes.h adds, removes, or renumbers a code, update this module in the same commit and add a row to the label / slug tables.

Module Contents¶

Classes¶

`SaddleStatus`	Saddle-search termination reason. Wire-equivalent to `eonc::SaddleStatus` in `client/StatusTypes.h`.
`MinimizationStatus`	Minimizer termination as reported in `results.dat` for `job_type == 'minimization'`. Distinct from the broader `SaddleStatus` – the minimizer only emits these three.

Functions¶

`saddle_status_label`	Human-readable label for a saddle-search termination code.
`saddle_status_slug`	Slug-case label for a saddle-search termination code, with the same unknown-code tolerance as :func:`saddle_status_label`.
`minimization_status_slug`	Slug-case label for a minimization termination code.

Data¶

`SADDLE_STATUS_LABELS`
`SADDLE_STATUS_SLUGS`
`MINIMIZATION_STATUS_SLUGS`

API¶

class eon.status_codes.SaddleStatus[source]¶

Bases: enum.IntEnum

Saddle-search termination reason. Wire-equivalent to eonc::SaddleStatus in client/StatusTypes.h.

Initialization

Initialize self. See help(type(self)) for accurate signature.

Good¶: 0

Init¶: 1

BadNoConvex¶: 2

BadHighEnergy¶: 3

BadMaxConcaveIterations¶: 4

BadMaxIterations¶: 5

BadNotConnected¶: 6

BadPrefactor¶: 7

BadHighBarrier¶: 8

BadMinima¶: 9

FailedPrefactor¶: 10

PotentialFailed¶: 11

NonnegativeAbort¶: 12

NonlocalAbort¶: 13

NegativeBarrier¶: 14

BadMdTrajectoryTooShort¶: 15

BadNoNegativeModeAtSaddle¶: 16

BadNoBarrier¶: 17

ZeromodeAbort¶: 18

OptimizerError¶: 19

DimerLostMode¶: 20

DimerRestoredBest¶: 21

BadArtnError¶: 22

class eon.status_codes.MinimizationStatus[source]¶

Bases: enum.IntEnum

Minimizer termination as reported in results.dat for job_type == 'minimization'. Distinct from the broader SaddleStatus – the minimizer only emits these three.

Initialization

Initialize self. See help(type(self)) for accurate signature.

Good¶: 0

MaxIterations¶: 1

PotentialFailed¶: 2

eon.status_codes.SADDLE_STATUS_LABELS: dict[eon.status_codes.SaddleStatus, str]¶: None

eon.status_codes.SADDLE_STATUS_SLUGS: dict[eon.status_codes.SaddleStatus, str]¶: None

eon.status_codes.MINIMIZATION_STATUS_SLUGS: dict[eon.status_codes.MinimizationStatus, str]¶: None

eon.status_codes.saddle_status_label(code: int) → str[source]¶

Human-readable label for a saddle-search termination code.

Tolerant of unknown codes – returns a generic placeholder rather than raising, so a future C++ rev cannot cause an IndexError or KeyError to crash long-running akmc jobs.

eon.status_codes.saddle_status_slug(code: int) → str[source]¶: Slug-case label for a saddle-search termination code, with the same unknown-code tolerance as :func:saddle_status_label.

eon.status_codes.minimization_status_slug(code: int) → str[source]¶: Slug-case label for a minimization termination code.

eon.status_codes¶