nanover.trajectory.frame_data module

class nanover.trajectory.frame_data.ArraysView(raw)

Bases: RecordView

Give access to homogeneous arrays from a FrameData.

record_name: str | None = 'arrays'

set(key: str, value)

singular: str | None = 'array'

class nanover.trajectory.frame_data.FrameData(raw_frame: FrameData = None)

Bases: object

Wrapper around the GRPC FrameData.

A FrameData contains two kinds of records: single values of any type, or homogeneous arrays. The former kind can be accessed through the values attribute, while the later is accessible through the arrays one. Both attribute behave like a dictionary. Trying to access a key that does not exist raises a KeyError.

The set of keys with data in the frame is listed by value_keys() and array_keys().

The most common frame properties are accessible as attribute in a normalized format. Shortcuts are not guaranteed to contain data. Trying to access a shortcut that does not contain data raises a MissingDataError that can also be caught as a KeyError.

The available shortcuts can be listed using the shortcuts property. The set of shortcuts that contain data is available from the used_shortcuts.

property array_keys: Set

property bond_orders

property bond_pairs

property box_vectors

property chain_count

property chain_names

copy()

property kinetic_energy

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 raw: FrameData: Underlying GRPC/protobuf object.

property residue_chains

property residue_count

property residue_ids

property residue_names

property server_timestamp

set_float_array(key, value)

Set an homogeneous array of floats in an existing or a new key.

Parameters:

key – The key under which to store the array.
value – The array to store.

set_index_array(key, value)

Set an homogeneous array of indices in an existing or a new key.

Parameters:

key – The key under which to store the array.
value – The array to store.

set_string_array(key, value)

Set an homogeneous array of strings in an existing or a new key.

Parameters:

key – The key under which to store the array.
value – The array to store.

property shortcuts: Set

property simulation_counter

property simulation_time

property used_shortcuts: Set

property user_energy

property user_forces_index

property user_forces_sparse

property user_work_done

property value_keys: Set

exception nanover.trajectory.frame_data.MissingDataError

Bases: KeyError

A shortcut does not contain data to return.

class nanover.trajectory.frame_data.RecordView(raw)

Bases: object

Base class that wraps the access to a kind of record.

This class needs to be subclassed.

delete(key)

get(key, default=None)

keys() → Set

record_name: str | None = None

set(key, value)

singular: str | None = None

class nanover.trajectory.frame_data.ValuesView(raw)

Bases: RecordView

Give access to singular values from a FrameData.

record_name: str | None = 'values'

set(key: str, value)

singular: str | None = 'value'