Serialization¶

class scine_molassembler.JsonSerialization¶

Class representing a compact JSON serialization of a molecule

>>> # Demonstrate a serialize-deserialize loop
>>> spiro = io.experimental.from_smiles("C12(CCCC1)CCC2")
>>> serializer = JsonSerialization(spiro)
>>> bson_format = JsonSerialization.BinaryFormat.BSON
>>> spiro_as_bson = serializer.to_binary(bson_format)
>>> bson_in_b64 = serializer.base_64_encode(spiro_as_bson)
>>> reverted_bson = JsonSerialization.base_64_decode(bson_in_b64)
>>> serializer = JsonSerialization(reverted_bson, bson_format)
>>> reverted = serializer.to_molecule()
>>> reverted == spiro # Compare the deserialized molecule
True

__init__(*args, **kwargs)¶

Overloaded function.

__init__(self: scine_molassembler.JsonSerialization, json_string: str) -> None

Parse a JSON molecule serialization

__init__(self: scine_molassembler.JsonSerialization, molecule: scine_molassembler.Molecule) -> None

Serialize a molecule into JSON

__init__(self: scine_molassembler.JsonSerialization, bytes: bytes, binary_format: scine_molassembler.JsonSerialization.BinaryFormat) -> None

Parse a binary JSON molecule serialization

class BinaryFormat¶

Specifies the type of JSON binary format

Members:

CBOR : Compact Binary Object Representation

BSON : Binary JSON

MsgPack : MsgPack

UBJSON : Universal Binary JSON

BSON = BinaryFormat.BSON¶

CBOR = BinaryFormat.CBOR¶

MsgPack = BinaryFormat.MsgPack¶

UBJSON = BinaryFormat.UBJSON¶

property name¶

handle) -> str

Type: (self

static base_64_decode(base_64_string: str) → bytes¶: Decode base-64 string into binary

static base_64_encode(binary: bytes) → str¶: Encode binary format as base-64 string

standardize(self: scine_molassembler.JsonSerialization) → scine_molassembler.JsonSerialization ¶: Standardize the internal JSON serialization (only for canonical molecules)

to_binary(self: scine_molassembler.JsonSerialization, binary_format: scine_molassembler.JsonSerialization.BinaryFormat) → bytes¶: Serialize a molecule into a binary format

to_molecule(self: scine_molassembler.JsonSerialization) → scine_molassembler.Molecule ¶: Construct a molecule from the serialization

to_string(self: scine_molassembler.JsonSerialization) → str¶: Dump the JSON serialization into a string