AngleConstraintSet

class openff.qcsubmit.constraints.AngleConstraintSet(*, type='angle', indices, bonded=True, value)[source]
Parameters:
__init__(**data)

Create a new model by parsing and validating input data from keyword arguments.

Raises ValidationError if the input data cannot be parsed to form a valid model.

Parameters:

data (Any) –

Return type:

None

Methods

__init__(**data)

Create a new model by parsing and validating input data from keyword arguments.

construct([_fields_set])

Creates a new model setting __dict__ and __fields_set__ from trusted or pre-validated data.

copy(*[, include, exclude, update, deep])

Duplicate a model, optionally choose which fields to include, exclude and change.

dict(*args, **kwargs)

Overwrite the dict method to make sure the bonded flag is removed and not passed to qcsubmit.

from_orm(obj)

json(*[, include, exclude, by_alias, ...])

Generate a JSON representation of the model, include and exclude arguments as per dict().

parse_file(path, *[, content_type, ...])

parse_obj(obj)

parse_raw(b, *[, content_type, encoding, ...])

schema([by_alias, ref_template])

schema_json(*[, by_alias, ref_template])

update_forward_refs(**localns)

Try to update ForwardRefs on fields based on this Model, globalns and localns.

validate(value)

Attributes

value

type

indices

bonded

dict(*args, **kwargs)

Overwrite the dict method to make sure the bonded flag is removed and not passed to qcsubmit.