Action_mixins

Pre-built action handlers.

class conformer_rl.environments.environment_components.action_mixins.ContinuousActionMixin

Bases: object

For each torsion of the molecule, modifies the torsion given an angle from a continuous range.

_step(action: List[float]) → None

Sets the torsion angles of the molecule.

Parameters: action (list of float) – Each element of action specifies the angle (in degrees) to set the angle of the corresponding torsion in the molecule.

Notes

Logged parameters:

class conformer_rl.environments.environment_components.action_mixins.DiscreteActionMixin

Bases: object

For each torsion of the molecule, modifies the torsion given an angle from a discrete set of possible angles.

_step(action: List[int]) → None

Sets the torsion angles of the molecule.

Parameters: action (list of int between 0 and 5) – For each element of action, sets the corresponding torsion angle to 60 times the element degrees.

Notes

Logged parameters: