CompoundGroupSelection class for compound alternative selections

An R6 class representing one entry in a CompoundProperties's Alternatives array. Each entry pairs an alternative group (e.g. "COMPOUND_SOLUBILITY") with the selected alternative within that group. Internal machinery only: add_simulation()'s friendly alternatives selection (by property name and label) is the user-facing way to select an alternative; this class and the COMPOUND_* group constants it carries are not part of the public API.

Active bindings

data

The raw data of the selection (read-only).

group_name

The alternative group name. Writable: must be a non-empty scalar string.

alternative_name

The selected alternative name in the group. Writable: must be a non-empty scalar string.

Methods

Public methods

• CompoundGroupSelection$new()

• CompoundGroupSelection$clone()

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CompoundGroupSelection$new()

Create a new CompoundGroupSelection object.

Usage

CompoundGroupSelection$new(data)

Arguments

data

Raw CompoundGroupSelection data from a snapshot.

Returns

A new CompoundGroupSelection object.

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CompoundGroupSelection$clone()

The objects of this class are cloneable with this method.

Usage

CompoundGroupSelection$clone(deep = FALSE)

Arguments

deep

Whether to make a deep clone.