ManualTuneDefinition

class hoomd.tune.ManualTuneDefinition(get_y, target, get_x, set_x, domain=None)

Class for defining y = f(x) relationships for tuning x for a set y target.

This class is made to be used with hoomd.tune.SolverStep subclasses. Here y represents a dependent variable of x. In general, x and y should be of type float, but specific hoomd.tune.SolverStep subclasses may accept other types.

A special case for the return type of y is None. If the value is currently inaccessible or would be invalid, a ManualTuneDefinition object can return a y of None to indicate this. hoomd.tune.SolverStep objects will handle this automatically. Since we check for None internally in hoomd.tune.SolverStep objects, a ManualTuneDefinition object’s y property should be consistent when called multiple times within a timestep.

When setting x the value is clamped between the given domain via,

$$\begin{split} x &= x_{max}, \text{ if } x_n > x_{max},\\ x &= x_{min}, \text{ if } x_n < x_{min},\\ x &= x_n, \text{ otherwise} \end{split}$$

Parameters:

• get_y (callable) – A callable that gets the current value for y.

• target (any) – The target y value to approach.

• get_x (callable) – A callable that gets the current value for x.

• set_x (callable) – A callable that sets the current value for x.

• domain (tuple [any, any], optional) – A tuple pair of the minimum and maximum accepted values of x, defaults to None. When, the domain is None then any value of x is accepted. Either the minimum or maximum can be set to None as well which means there is no maximum or minimum. The domain is used to wrap values within the specified domain when setting x.

Note

Placing domain restrictions on x can lead to the target y value being impossible to converge to. This will lead to the hoomd.tune.SolverStep object passed this tunable to never finish solving regardless if all other ManualTuneDefinition objects are converged.

__eq__(other)

Test for equality.

__hash__()

Compute a hash of the tune definition.

clamp_into_domain(value)

Return the closest value within the domain.

Parameters:

value (any) – A value of the same type as x.

Returns:

The value clamps within the domains of x. Clamping here refers to returning the value or minimum or maximum of the domain if value is outside the domain.

property domain

A tuple pair of the minimum and maximum accepted values of x.

When the domain is None, any value of x is accepted. Either the minimum or maximum can be set to None as well which means there is no maximum or minimum. The domain is used to wrap values within the specified domain when setting x.

Type:

tuple[any, any]

in_domain(value)

Check whether a value is in the domain.

Parameters:

value (any) – A value that can be compared to the minimum and maximum of the domain.

Returns:

Whether the value is in the domain of x.

Return type:

bool

property max_x

Maximum allowed x value.

property min_x

Minimum allowed y value.

property target

The targetted y value, can be set.

property x

The dependent variable.

Can be set. When set the setting value is clamped within the provided domain. See clamp_into_domain for further explanation.

property y

The independent variable, and is unsettable.