In this vignette, the user will be introduced to the compose_isobxr function of isobxr.

Here, we shortly present the principles and general usage of the compose_isobxr function.

The user is then invited to follow and run a step-by-step tutorial presenting several typical runs.

1 How does compose_isobxr work?

The compose_isobxr function is used to build complex scenarios of the evolution of a system going through a series of runs.

The compose_isobxr function calls a scenario defined in a compose master file (.xlsx file) and also requires the definition of the system from the 0_ISOXBR_MASTER.xlsx file.

The compose_isobxr works by successively calling the run_isobxrfunction and performing runs each inheriting from the final state of the system as its own initial state.

1.1 General principle

The general principle of the compose_isobxr function is summarised in the cheatsheet below.

1.2 General workflow

The general workflow of the compose_isobxr function is summarised in the cheatsheet below.

1.3 How is the scenario defined ?

The scenario is defined in the compose master file (xlsx file) which stores the following required and optional information.

2 Filling in compose master file (xlsx)

The compose master file is the excel document containing all data defining the scenario.

It provides the compose_isobxr function with the successive runs to constitute the whole scenario.

Note
The compose_isobxr function also requires the isobxr master file where the system states are defined. All the isobxr functions are meant to be run in relation with an isobxr master file. All instruction for the filling in of the isobxr master file are given in the presentation of the run_isobxr function.

2.1 Name and location

  • The compose master file is an xlsx file
  • The compose master file name is freely defined by the user.
  • The compose master file has to be stored in the working directory (workdir), where the isobxr master file is also stored.

2.2 Structure and format

The compose master file contains the 5 following sheet strictly named as follows:

  1. RUN_LIST: Sheet defining scenario structure (filling required)
  2. FORCING_SIZE: Sheet defining optional forcings on a subset of box initial sizes for subset of runs (filling optional)
  3. FORCING_DELTA: Sheet defining optional forcings on a subset of box initial delta values for subset of runs (filling optional)
  4. FORCING_ALPHA: Sheet defining optional forcings on a subset of fractionation coefficients for subset of runs (filling optional)
  5. FORCING_RAYLEIGH: Sheet defining optional forcings on a subset of fractionation coefficients following a Rayleigh distillation model for subset of runs (filling optional)

The general rules for the filling in of the compose master file are shown in cheatsheet below:

3 Main arguments and outputs

The compose_isobxr function takes required and optional arguments that are described in this section.

All arguments definitions of the compose_isobxr function are accessible in its documentation called as follows

?compose_isobxr

3.1 Required arguments

The arguments required to run the compose_isobxr function are exemplified and described here:

compose_isobxr(workdir = "/Users/username/Documents/1_ABC_tutorial",
               SERIES_ID = "ABC_change_balance", # series ID of composite family
               time_units = c("d", "yr"), # plot results in years as time units
               COMPO_MASTER = "0_CPS_MASTER_changing_balance.xlsx") # composite master
workdir
Working directory of 0_ISOBXR_MASTER.xlsx master file and compose master file.
SERIES_ID
Name of the model series the run belongs to. It determines the folder in which the output files will be stored.
time_units
  • Vector defining the initial time unit (identical to unit used in fluxes), followed by the time unit used for the graphical output
  • to be selected amongst the following: micros, ms, s, min, h, d, wk, mo, yr, kyr, Myr, Gyr
  • e.g., c(“d”, “yr”) to convert days into years
COMPO_MASTER
Full name of the composite master file (finishing with “.xlsx”)

3.2 Default and optional outputs

By default, the compose_isobxr prints a summary plot of the run outputs (evolution of delta values and box sizes) in the R session.

All compose_isobxr output data is stored in a temporary directory by default.

The user can save these outputs to their working directory by changing the save_run_outputs argument to TRUE.

The compose_isobxr outputs are structured as follows:

In addition to the default outputs, the compose_isobxr function allows to:

  • get each run’s digest for all scenario steps (using the EACH_RUN_DIGEST = TRUE argument)
  • get whole composite run data as csv files (using the to_CPS_DIGEST_CSVs = TRUE argument)
  • hide boxes in the plots of evolution of delta values (plot_HIDE_BOXES_delta = c(“BOX_TO_HID_1”, “BOX_TO_HID_2”))
  • hide boxes in the plots of evolution of box sizes (plot_HIDE_BOXES_size = c(“BOX_TO_HID_1”, “BOX_TO_HID_2”))

These arguments are called as follows:

compose_isobxr(workdir = "/Users/username/Documents/1_ABC_tutorial",
               SERIES_ID = "ABC_change_balance", # series ID of composite family
               time_units = c("d", "yr"), # plot results in years as time units
               COMPO_MASTER = "0_CPS_MASTER_changing_balance.xlsx", # composite master
               plot_HIDE_BOXES_delta = c("SINK"), # Hide SINK in evD plots
               plot_HIDE_BOXES_size = c("SINK", "SOURCE"), # Hide SINK and SOURCE in evS plots
               EACH_RUN_DIGEST = TRUE,
               to_CPS_DIGEST_CSVs = TRUE)