narupa.trajectory.frame_data module¶
-
class
narupa.trajectory.frame_data.
ArraysView
(raw)¶ Bases:
narupa.trajectory.frame_data.RecordView
Give access to homogeneous arrays from a
FrameData
.-
record_name
= 'arrays'¶
-
set
(key, value)¶
-
singular
= 'array'¶
-
-
class
narupa.trajectory.frame_data.
FrameData
(raw_frame: narupa.protocol.trajectory.frame_pb2.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 thevalues
attribute, while the later is accessible through thearrays
one. Both attribute behave like a dictionary. Trying to access a key that does not exist raises aKeyError
.The set of keys with data in the frame is listed by
value_keys()
andarray_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 aKeyError
.The available shortcuts can be listed using the
shortcuts
property. The set of shortcuts that contain data is available from theused_shortcuts
.-
array_keys
¶
-
bond_orders
¶
-
bond_pairs
¶
-
box_vectors
¶
-
chain_count
¶
-
chain_names
¶
-
copy
()¶
-
kinetic_energy
¶
-
particle_count
¶
-
particle_elements
¶
-
particle_names
¶
-
particle_positions
¶
-
particle_residues
¶
-
particle_types
¶
-
potential_energy
¶
-
raw
¶ Underlying GRPC/protobuf object.
-
residue_chains
¶
-
residue_count
¶
-
residue_ids
¶
-
residue_names
¶
-
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.
-
shortcuts
¶
-
used_shortcuts
¶
-
value_keys
¶
-
-
exception
narupa.trajectory.frame_data.
MissingDataError
¶ Bases:
KeyError
A shortcut does not contain data to return.