Author: Gerold Hepp
Date: 2025-03-22

# Basic modelling workflow

#### Gerold Hepp

#### 2025-03-22

This vignette provides an overview of the basic modelling workflow with the `RPhosFate` package.

## Preparations

Load the package and obtain a copy of the demonstration project:

    library(RPhosFate)

    cv_dir <- demoProject()

## Project initialisation

Use `RPhosFate()` or `catchment()` to initialise the project:

    x <- RPhosFate(
      cv_dir = cv_dir,
      ns_dep_ovl = 25e-4,
      ns_dep_cha = 0.0,
      nv_tfc_inl = c(SS = 0.6, PP = 0.6),
      nv_enr_rto = c(PP = 2.0),
      nm_olc = matrix(c(4704255, 2795195), ncol = 2L),
      df_cdt = read.table(
        file.path(cv_dir, "cdt.txt"),
        header = TRUE,
        stringsAsFactors = FALSE
      )
    )

## First model run for suspended solids (SS)

`firstRun()` calls all low-level interface methods for the specified substance in the required order:

    x <- firstRun(x, substance = "SS")

## Calibration quality of SS

Snap coordinates of provided calibration gauges to the respective midpoint of the nearest channel cell if necessary and check calibration quality:

    x <- snapGauges(x)

    metrics <- calibrationQuality(x, substance = "SS", col = "SS_load")

## Calibrate SS

SS is calibrated by iteratively specifying better parameter values for `ns_dep_ovl` (overland deposition rate) and/or `ns_dep_cha` (channel deposition rate) as well as calling `subsequentRun()` for SS afterwards until pleased with the metrics. By default, `subsequentRun()` only calls the `transport()` low-level interface method for the specified substance:

    x <- setParameter(x, ns_dep_ovl = 15e-4)

    x <- subsequentRun(x, substance = "SS")

    metrics <- calibrationQuality(x, substance = "SS", col = "SS_load")

The `autoCalibrate()` and `autoCalibrate2()` methods may provide more comfortable alternatives to this process.

## Calibration quality of particulate phosphorus (PP)

First, a further call to `subsequentRun()` for PP is necessary:

    x <- subsequentRun(x, substance = "PP")

    metrics <- calibrationQuality(x, substance = "PP", col = "PP_load")

## Calibrate PP

Same procedure as with SS apart from iteratively specifying better parameter values for the enrichment ratio:

    x <- setParameter(x, nv_enr_rto = c(PP = 1.4))

    x <- subsequentRun(x, substance = "PP")

    metrics <- calibrationQuality(x, substance = "PP", col = "PP_load")

In case the only substance of interest is PP, it is possible to set its enrichment ratio to one and directly calibrate it via `ns_dep_ovl` and/or `ns_dep_cha`.

## Save state

Write parameters to disk:

    saveState(x)

## Return to the calibrated project at a later time

Simply load the previously saved state of the project via the `ls_ini` argument of `RPhosFate()` or `catchment()`:

    x <- RPhosFate(
      cv_dir = cv_dir,
      ls_ini = TRUE
    )