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Changelog

Source: NEWS.md

tidywater 0.10.0

CRAN release: 2025-08-24

New features

  • Revamped helpers _df replace chain and once functions. Use pluck_cols = TRUE to mimic once behavior, although it will always return a water column as well.
  • Virus log removal added to solvect_chlorine based on the EPA Guidance Manual Table E-7 (1991)
  • modify_water can now modify multiple water slots at once. Note that in order to modify multiple slots using modify_water_df, all input arguments must be included as a list.
  • Acetic acid added as chemical to chemdose_ph. In addition to changing pH, dosing acetic acid will also update TOC and DOC of the input water.
  • regulate_toc now available for calculating TOC removal compliance
  • gacrun_toc, gac_toc, and gacbv_toc added to predict TOC removal from GAC treatment using either the EPA WTP model (2001) or the Zachman and Summers (2018) model. Different functions provide different output types: a data frame of the TOC breakthrough curve, a new water with updated TOC, DOC, and UV254 water slots, or the necessary bed volumes to stay below the target effluent TOC. See individual functions for documentation.
  • pluck_water and _df helpers sped up by relying on base R instead of purrr
  • chemdose_toc can now account for doc removal due to lime softening from the WTP Model (2001). To implement, use the caoh2 argument.
  • New model opensys_ph added to predict pH and alkalinity of an input water in an open carbonate system at equilibrium
  • New function plot_lead added to graph the pH vs DIC contour plot for lead solubility
  • Alkalinity slots added to the water class. alk and alk_eq represent the total alkalinity, and individual alkalinities due to carbonate, phosphate, ammonium, borate, silicate, and hypochlorite have been added as individual slots (eg. carbonate_alk_eq).

Breaking changes

  • _chain and _once functions have been deprecated. Replace with _df functions. Code should be similar, but has slightly different outputs.
  • Default water naming in helper functions has been shortened to remove “_water”. Eg, new default output_water = "defined", old default output_water = "defined_water". See function documentation for new defaults.
  • Total alkalinity (alk) now accounts for phosphate, silicate, borate, hypochlorite, and ammonia. Could have a minor impact on final pH and alkalinity calculations in waters with those compounds.
  • Now depends on R >= 4.1.0 for built in pipe operator, |>

tidywater 0.9.0

CRAN release: 2025-07-03

New features

  • New chemdose_ph chemicals: CaOCl2, CaSO4, HNO3, KMnO4, NaF, and Na3PO4
  • New model dissolve_cu predicts the concentration of copper given pH, DIC, and phosphate based on the empirical model described in Lytle et al. (2018). dissolve_cu_once can also predict copper for waters in a data frame.
  • chemdose_dbp can now input custom fitting coefficients as a data frame
  • chemdose_ph_once and chemdose_toc_once are back and only return relevant waters slots in its output.
  • decarbonate_ph: function to remove CO2 (H2CO3) from a water and determine the new pH (and division of ions)
  • modify_water: function to modify individual slots in a water that handles unit conversions

Breaking changes

  • applied_treatment slot removed from water. Was not providing any benefit and added complexity. Should be the responsibility of the user to track.
  • h2co3 slot added to water class calculated based on {H} and total carbonate.
  • chemdose_ph warns when ion water slots aren’t updated due to NA slots.
  • solvedose_ph updated search range to allow for more water qualities without erroring. Updated search process results in slightly different outputs.
  • _toc functions are DOC-based and previously assumed no particulate TOC removal. In reality, virtually all particulate TOC is removed with other particulates, so models have been updated to return TOC = DOC
  • chemdose_toc custom coeff now accepts a data frame instead of a named list
  • Corrosion index slots removed from water class.
  • calculate_corrosion now outputs a data frame with the corrosion indices as columns. calculate_corrosion_chain removed because the base function has a numeric output.
  • calculate_corrosion updated CCPP search range to allow for more water qualities without erroring.
  • solvect_o3 and solveresid_o3 now return zero instead of NaN when the input dose is zero

tidywater 0.8.2

CRAN release: 2025-05-17

  • Reduce examples for CRAN speed again.

tidywater 0.8.1

  • Pare down examples and vignettes to speed up CRAN checks
  • Minor updates to chemdose_chloramine warnings.

tidywater 0.8.0

  • calculate_corrosion expanded CCPP search range (fewer errors)

Breaking changes

  • Helper function (_chain and _once) behavior change: can now specify column name unquoted (eg, alum = AlumDose)
  • Removed most (_once) helper functions because the desired output is almost never all water slots as columns. Refer to pluck_water(parameter = "all") for same behavior.
  • pac_toc now constrained to accept a smaller range of doses and times. The form of the equation was allowing negative TOC outputs.
  • define_water, chemdose_ph, blend_waters, and other pH related functions slightly impacted by a fix in concentration vs activity. Previous code assumed pH = 10^-[H+], code has been corrected to pH = 10^-{H+}

New features

  • User may now choose which cation or anion to use for balancing ions
  • dic now calculated in define_water
  • dic now available in convert_units
  • chemdose_chloramine: chloramine formation model given chlorine, ammonia, time
  • chemdose_chlordecay now has argument, use_chlorine_slot. Function can now use chlorine dose and/or free_chlorine or combined_chlorine slots.

tidywater 0.7.0

CRAN release: 2025-01-22

New features

  • chlorine and chloramine decay: chemdose_chlordecay
  • New water slots for chloramine chemistry: combined_chlorine, nh2cl, nhcl2, ncl3
  • solvemass_solids separates functionality from solvecost_solids to solve lb/day
  • biofilter_toc, chemdose_chlordecay, ozonate_bromate, and solvect helpers now available.

Breaking changes

  • chemdose_ct renamed solvect_chlorine
  • ozonate_ct renamed solvect_o3
  • tot_ocl slot in water renamed free_chlorine
  • define_water argument changes: tot_ocl changed to free_chlorine, added combined_chlorine
  • Helper function (_chain and _once) behavior change: if multiple values are specified for multiple arguments, all combinations are used.

tidywater 0.6.2

CRAN release: 2024-11-05

  • CRAN resubmission.
  • Minor changes to DESCRIPTION and examples using plan

tidywater 0.6.1

  • Initial CRAN submission.
  • Fix R CMD check notes

tidywater 0.6.0

New features

  • biofilter_toc updates the bdoc water slot
  • pac_toc helper functions _chain and _once

Breaking changes

  • biofilter_toc argument, o3_dose, was replaced with ozonated, which accepts TRUE or FALSE inputs

tidywater 0.5.0

Fixes

  • default temperature is now 25C
  • corrected enthalpy of reaction for ammonium ion
  • completed PAC models

New features

  • chemdose_ct: CT calculations, including CT actual, CT required, and giardia log removal
  • solvecost_ family: cost calculations, including chemicals, power, solids, and labor
  • solvemass_ :convert chemical doses from mg/L to lb/day
  • solveresid_o3: ozone decay model and corresponding helper function from WTP model
  • ozonate_ct: ozone CT model
  • validate water function, not exported but useful for function writing
  • chemdose_f: fluoride model for alum addition. Requires site specific fitting.
  • biofilter_toc: biofiltration model (Terry & Summers)
  • added ACH to chemdose_ph

Breaking changes

  • total ammonia water slot changed from tot_nh4 to tot_nh3

Code structure changes

  • renamed and rearranged R scripts to better find functions and associated helper functions
  • update most functions to use base R, and only use dplyr functions where necessary (increase speed)

tidywater 0.4.0

Fixes

  • solve_ph code updated to handle starting po4 concentration

New features

  • convert_watermg for cleaner water exports
  • bromate formation models
  • ammonia in pH chemistry
  • new water slots for F, Fe, Al, etc
  • helper functions for chemdose_dbp
  • PAC models (incomplete)

Breaking changes

  • treatment slot renamed “applied_treatments”
  • solve_ph changes. Should only see different values when po4 is in the water.
  • Added hydration to ferric sulfate and renamed coagulants for consistency.
  • pluck_water doesn’t allow specification of output_column. It is named by default from the input and parameters. Improved pluck does allow multiple parameters and waters in one function.

tidywater 0.3.0

Fixes

  • Raw water DBP models do not require UVA
  • Updated incorrect DBP model coefficients

New features

  • CaCl2 now included in possible chemical addition.

Breaking changes

  • define_water now has arguments for “ca” and “mg” and no longer has “ca_hard”.
  • summarize_dbp and summarize_corrosion removed. summarize_wq now takes arguments to summarize general, ions, dbps, or corrosion

tidywater 0.2.1

Bug fixes

  • Small vignette changes to fix package build.

tidywater 0.2.0

New features

  • TOC removal through coagulation, chemdose_toc and matching _chain and _once helper functions.
  • DBP formation from coagulation, chemdose_dbp. No helper functions yet except summarise_dbp
  • Calculation of corrosion indices, calculate_corrosion and summarise_corrosion with helper functions.
  • Theoretical lead solubility dissolve_pb with helper functions.
  • Helper function pluck_water to pull one slot from a water column in a data frame.

Breaking changes

  • Changes in S4 water class and define_water to handle more water quality parameters.

Calculation changes

  • Activity is calculated from ionic strength and used in pH calculations.
  • Ionic strength is based on TDS or conductivity and is recalculated when appropriate in balance_ions and chemdose_ph

tidywater 0.1.0

  • Initial release
  • Acid/base equilibrium with assumption activity = concentration
  • Helper functions _chain and _once for applying models to data frames.