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 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'