agedi.models.conditionings.time =============================== .. py:module:: agedi.models.conditionings.time Classes ------- .. autoapisummary:: agedi.models.conditionings.time.TimeConditioning Module Contents --------------- .. py:class:: TimeConditioning(input_dim: int = 1, output_dim: int = 2, **kwargs) Bases: :py:obj:`agedi.models.conditionings.base.Conditioning` Condition the model on the time t. :param t: Time tensor of shape (Nodes, 1). :type t: torch.Tensor .. py:attribute:: omega .. py:method:: get_hparams() -> Dict Return hyperparameters for this time conditioning module. .. py:method:: get_conditioning(t: torch.Tensor) -> torch.Tensor Get the conditioning tensor for the time t. ::math:: egin{align*} \mathbf{c} = egin{bmatrix} \sin(\omega t) \ \cos(\omega t) \end{bmatrix} \end{align*} :param t: Time tensor of shape (Nodes, 1). :type t: torch.Tensor :returns: Conditioning tensor of shape (Nodes, 2). :rtype: torch.Tensor .. py:method:: get_empty_conditioning(n: int) -> torch.Tensor Get an empty conditioning tensor. :returns: Empty conditioning tensor of shape (1, 2). :rtype: torch.Tensor .. py:method:: forward(batch: AtomsGraph, empty: bool = False) -> AtomsGraph Forward method to get the conditioning from the input This ignores training and empty flags. :param batch: The input batch :type batch: AtomsGraph :param empty: If True, return an empty conditioning tensor :type empty: bool :returns: The batch with the conditioning added to the representation :rtype: AtomsGraph