Scenarios: Effect scenario classes

In cvasi: Calibration, Validation, and Simulation of TKTD Models

Effect scenario classes

Description

The EffectScenario class is the base for all of the basic scenario types and models. It contains slots for data and settings that are required by most models such as a vector of model parameters and a vector of initial states. For each particular model, the class's slots are filled with certain default or fixed values. Some models derive from this class and add slots to store additional data.

Details

Certain behaviors that are required to model complex processes cannot be represented by a single EffectScenario. As an example, the parameters of a scenario are generally fixed during the simulated time period. In order to represent a change in parameter values, the original scenario would need to split into two scenarios A and B which differ by parameter values and simulated time period. By combining these scenarios to a scenario sequence, the sequence would be treated as a single, complex scenario. See sequence() for more information.

Parameters

Most parameters are represented by numerical types but other types are possible depending on model. Please refer to the model description which parameters are required and in which unit. Some or all parameters may be required to start a simulation. If required parameters are missing, simulation will fail with an error message.

Initial state

The initial state represents the starting values of state variables when starting a simulation. A scenario's default initial state may be insufficient to get sensible results. It is advisable to set an initial state explicitly when creating a new scenario, see set_init().

In theory, a scenario's state variables can be renamed by modifying the names of the initial state vector. However, this is strongly discouraged as this will affect other routines such as effect() and epx() and may render results useless.

Exposure

Exposure refers to the concentration of toxicant an organism is exposed to. In case of aquatic organisms, this would commonly be the concentration of a toxicant in water. Other interpretations are possible depending on model assumptions.

Exposure time-series are generally represented by a data.frame containing two columns. The first column representing time, the second representing the exposure level. The ordering of columns is mandatory. The column names are essentially irrelevant but sensible names may help documenting the scenario and its data. The rows must be ordered chronologically. A time-series can consist of only a single row; in this case it will represent constant exposure. Exposure time-series are set to a scenario using set_exposure().

Handling time-series is a costly task for the ODE solver due to consistency checks and interpolation between time steps. How the solver interpolates the time-series can be controlled by certain arguments to functions such as simulate() and effect(). Please refer to simulate() for a brief overview and deSolve::forcings for a detailed description.

Exposure time-series should be kept as short as possible and as complex as needed for optimal computational efficiency.

Environmental forcings

Forcings generally refer to model parameters that change over time as part of an external function such as environmental temperature and exposure levels. Due to the importance of exposure in regulatory assessments, this R package explicitly distinguishes between environmental forcings and exposure. However, the same restrictions and features apply to both of them.

Forcing time-series are handled the same way as exposure time-series, i.e. they are represented by a data.frame containing two columns. The first column representing time, the second representing the parameter that is a function of time. The ordering of columns is mandatory. The rows must be ordered chronologically. Forcings time-series are set using set_forcings(). Please refer to the Exposure section for more information on how time-series are handled.

Output times

A scenario's simulated time period is defined by its minimum and maximum output time. Simulation results will only be returned for the defined output times even though the ODE solver may use smaller time steps between output times. Output times can be explicitly set using set_times(). The number and distance of output times may have influence on the precision of simulation results and numerical stability, cf. simulate().

Be aware that set_exposure() will overwrite previously defined output times if not requested otherwise.

Effects

Generally, all state variables can be used as effect endpoints but models may provide additional endpoints. Use set_endpoints() to enable or disable endpoints for a scenario.

Some scenarios or models require control runs to calculate effects under exposure. Generally, control simulations will run automatically where needed. However, when conducting a large number of repeated simulations, e.g. when calculating effect profiles (EPx values) or simulating moving exposure windows, it may be computational efficient to run control simulations only once and cache their results within the scenario. Please refer to cache_controls() for details.

Moving exposure windows

The time frame relevant for effects may be much shorter than the assessed exposure time-series for certain organisms. This fact can be represented by moving exposure windows which divide a long time period in a number of consecutive windows of the same length. Each window is simulated individually and effects are calculated. By default, methods such as effect() will only return the maximum effect of all considered windows but detailed results can be presented on demand.

To use moving exposure windows, the exposure time-series must be regular, i.e. must have an equidistant step length in time. The length of the window is defined as the number of time steps of the exposure time-series. As an example, assume the time-series has daily granularity and a moving window of seven days length is required. In this case, the moving window must have a length of seven (7) time steps. If the exposure time-series had hourly granularity, the same window would need to have a length of 168 (=7*24) time steps. Please refer to set_window() for details.

Slots

name

character, unique model name

tag

character, an optional identifier

param

list of parameter key-value pairs

param.bounds

named list of parameter boundaries

param.req

character vector of required parameters

forcings

list of data.frames representing forcing time-series

forcings.req

character vector or required model forcings data, e.g. temperature

init

list of initial model states

times

numeric vector of output times, beginning and end also define the simulated period

endpoints

character vector of endpoints to calculate results for

exposure

data.frame with two columns representing an exposure time-series

control

list of named numerical vectors, contains the control values for all relevant moving windows

control.req

logical, if TRUE then control values are required to calculate effects

window.length

numeric, maximum length of the simulated period, if window.length is shorter than the exposure pattern, then all possible exposure sub-patterns are evaluated for effect calculation. This is also referred to as a moving window approach.

window.interval

numeric, interval determining distance between moving windows during effect calculation. First window starts at first time point in exposure pattern.

See Also

Other scenarios: Algae-models, DEB-models, GUTS-RED-models, Lemna-models, Macrophyte-models, Myriophyllum-models, Transferable

cvasi documentation built on Sept. 23, 2024, 9:08 a.m.