pestifer.objs.rottrans module

A class for handling translation and rotation of segments in a molecular structure. This class represents a move operation that can either be a translation or a rotation.

class pestifer.objs.rottrans.RotTrans(*args, movetype: str, x: float | None = None, y: float | None = None, z: float | None = None, axis: str | None = None, angle: float | None = None)

Bases: BaseObj

A class for handling translation and rotation of segments in a molecular structure.

angle: float | None

axis: str | None

model_config = {'arbitrary_types_allowed': True, 'extra': 'forbid', 'frozen': False}

Configuration for pydantic.BaseModel.

model_post_init(context: Any, /) → None

This function is meant to behave like a BaseModel method to initialize private attributes.

It takes context as an argument since that’s what pydantic-core passes when calling it.

Parameters:

• self – The BaseModel instance.

• context – The context.

movetype: str

shortcode() → str

x: float | None

y: float | None

z: float | None

class pestifer.objs.rottrans.RotTransList(initlist: Iterable[T] = ())

Bases: BaseObjList[RotTrans]

A class for handling lists of RotTrans objects. This class inherits from BaseObjList and provides methods to manage a list of RotTrans objects.

describe()

Describe the RotTransList object.

Returns:

A string description of the RotTransList object, including the number of items in the list.

Return type:

str