nanover.trajectory.frame_data module

class nanover.trajectory.frame_data.FrameData(frame_dict: dict[str, Any] | None = None)

Bases: object

property bond_orders

property bond_pairs

property box_vectors

property chain_count

property chain_names

copy()

classmethod empty()

property frame_index

classmethod from_dict(frame_dict: dict[str, Any]): Return a new FrameData from a dict of unpacked data.

property kinetic_energy

pack_to_dict(): Return a dict of packed data from this frame.

property particle_count

property particle_elements

property particle_forces

property particle_forces_system

property particle_names

property particle_positions

property particle_residues

property particle_velocities

property potential_energy

property residue_chains

property residue_count

property residue_ids

property residue_names

property server_timestamp

property simulation_counter

property simulation_exception

property simulation_time

property system_temperature

classmethod unpack_from_dict(frame_dict: dict[str, Any]): Return a new FrameData from a dict of packed data.

update(other: FrameData, ignore_reset=False)

property user_energy

property user_forces_index

property user_forces_sparse

property user_work_done

exception nanover.trajectory.frame_data.MissingDataError

Bases: KeyError

A shortcut does not contain data to return.

nanover.trajectory.frame_data.merge_frame_dicts(a: dict, b: dict, ignore_reset=False)

nanover.trajectory.frame_data.replace_shortcuts(cls)