eon.state

The state module.

Module Contents

Classes

State

The state super class.

Data

logger

API

eon.state.logger

‘getLogger(…)’

class eon.state.State(statepath, statenumber, statelist, previous_state_num=-1, reactant_path=None, config: eon.config.ConfigClass = None)

The state super class.

Initialization

Creates a new state, with lazily loaded data.

add_process(result)

get_energy()

set_energy(e)

get_reactant()

Loads the reactant.con into a point and returns it.

get_process_reactant(id)

get_process_product(id)

proc_reactant_path(id)

proc_product_path(id)

proc_results_path(id)

proc_stdout_path(id)

get_process(id)

get_process_ids()

Returns the list of ids in the rate table.

get_previous_state()

get_num_procs()

Number of distinct process ids currently in the table.

This is a count, not an allocator. New registrations must use

Meth:

allocate_process_id (content-addressed xxh64), never len(self.procs) or max(id)+1.

allocate_process_id(*parts)

Content-addressed free process id (xxh64 over parts).

Reloads the process table from disk so external rewrites are visible, then returns an id derived from the payload that is not already in self.procs. Identity does not depend on table length or max id.

get_process_table()

get_displacement_atom_list(config: eon.config.ConfigClass) → str

Gets the list of atoms for displacement.

If the list has already been generated and stored in this state’s info file, it is read from there. Otherwise, the displacement script is run, and the result is saved to the info file for future use.

Returns: A string of atom indices for displacement.