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2018-09-22Add test and update docsJohannes Ranke1-3/+3
2018-09-21Support FOMC in PEC_soilJohannes Ranke1-10/+64
2018-07-10EFSA PEC soil guidance from 2017Johannes Ranke4-50/+192
- Implement the new guidance as well as possible - Maintenance work addressing CRAN checks
2018-07-04Some documentation updatesJohannes Ranke2-7/+8
Document that TOXSWA 5.5.3 is supported in the help files
2018-06-11Adapt to TOXSWA 5.5.3Johannes Ranke1-5/+13
2018-06-08Enable PEC porewater for the default scenarioJohannes Ranke1-1/+1
The default scenario uses soil parameters from the REACH guidance R.16, Table R.16-9.
2018-06-08Add actual/twa calcs for FOMC, typoJohannes Ranke2-2/+38
2018-03-01Rebuild static docs using current pkdownJohannes Ranke1-1/+4
Process PELMO runs in example using 15 (hyperthreading) cores and show processor info.
2018-01-29Documentation fixes and updatesJohannes Ranke2-6/+7
2018-01-29Correction of return value documentation for PEC_sw_exposit_runoffJohannes Ranke1-1/+1
Rebuild pkgdown documentation
2017-12-15Improve handling of ยต in y axis for plot.TOXSWA_cwaJohannes Ranke1-1/+7
2017-12-14Update copyright dateJohannes Ranke1-1/+1
2017-11-04Option to thin low TOXSWA PECsw data for plottingJohannes Ranke1-36/+60
to reduce the file size of plots e.g. as PDF files
2017-11-03Also return runoff percentagesJohannes Ranke1-4/+5
2017-10-27Exposit runoff calculations for surface waterJohannes Ranke1-0/+119
2017-10-23Typos, rebuild static docsJohannes Ranke1-1/+1
2017-10-09Write Step 2 input files on windowsJohannes Ranke1-2/+3
2017-10-06Update docs, small bugfixJohannes Ranke1-2/+2
2017-07-21New Option for Step 1, fix example, update docsJohannes Ranke1-1/+2
Also add the reference file for testing Step12 input file generation
2017-06-22Merge branch 'master' of kolab:pfmJohannes Ranke1-2/+11
2017-06-22Add scenario, region and season to run nameJohannes Ranke1-4/+11
2017-06-20Possibility to turn off formation in waterJohannes Ranke1-2/+11
This makes it possible to compare the Step 1 output with earlier versions of the Steps 12 tool.
2017-06-20Fix line endings and allow all interception classesJohannes Ranke1-2/+4
2017-06-20Fix generation of input filesJohannes Ranke1-18/+21
- Write header only if not appending - Write max_soil and max_ws for metabolites - Formatting
2017-06-19Single line of generated Step12 input file partially validatedJohannes Ranke1-39/+122
2017-06-17Start with the generation of an input fileJohannes Ranke1-3/+56
2017-05-24Fix for the sawtooth function for repeated applicationsJohannes Ranke1-1/+1
For n > 2, the second application was made at 2 * i instead of i.
2017-05-24Re-enable PELMO examples and testsJohannes Ranke1-3/+0
- Add .gitattributes to make sure CRLF line endings are kept for PELMO .psm files - Update static docs
2017-05-17Documentation fixJohannes Ranke1-2/+2
2017-05-16Add TWA concentrations for days > 1, fix linkJohannes Ranke2-8/+25
Now we have seven test calculations for the Step 1 calculator, all perfectly passing. This provides confidence that this is a correct reimplementation of the Step 1 part of the Step 1/2 calculator.
2017-05-16Finish the Step 1 calculator including testsJohannes Ranke4-27/+113
Some cleaning up. PELMO facilities do not currently work at my end, as I have no working wine installation on this computer
2017-05-15Start of an Steps 1/2 calculator in RJohannes Ranke2-0/+146
2017-03-29Make it possible to use expressions in axis labelsJohannes Ranke1-2/+2
2017-01-31Small documentation fixJohannes Ranke1-1/+1
2017-01-30Correct psm file in the example with metabolitesJohannes Ranke1-4/+26
2017-01-30Test reproducing the FOCUS Summary informationJohannes Ranke1-26/+56
generated from the FOCUS PELMO GUI, as copied into the text files in the testdata directory.
2017-01-30Better documentation of PELMO_runs().Johannes Ranke1-4/+6
2017-01-29Setting up PELMO runs, execution and evaluationJohannes Ranke2-29/+148
It all works!
2017-01-27Also test run with metabolitesJohannes Ranke1-2/+3
2017-01-27Set up FOCUS PELMO runs and run them in parallelJohannes Ranke3-2/+446
- This works on Linux using wine - PELMO runs (including pelmo.inp files) are correctly generated - The PLM files for FOCUS Pesticide_D in the test data archive are correctly reproduced - The data files (including FOCUS groundwater scenario data) are now created and documented in R files
2017-01-19Another correction of the docsJohannes Ranke1-5/+5
2017-01-19Corrections in the documentationJohannes Ranke1-10/+16
2017-01-19Correct default y axis label for plot.one_boxJohannes Ranke1-1/+1
2017-01-19Fix one_box for ini = 1, use in sawtooth examplesJohannes Ranke1-6/+5
2017-01-19Move mkin::twa to pfm::max_twa.mkinfitJohannes Ranke1-7/+81
- Add max_twa.mkinfit() recently introduced to mkin as mkin::twa() but never released with it - Add a test to check max_twa.one_box() against analytical solutions in max_twa.mkinfit(). - Clean up R CMD check - Update docs
2017-01-19Make max_twa() a bit saferJohannes Ranke1-3/+13
2017-01-19Documentation updatesJohannes Ranke1-4/+3
2017-01-19Fix order of arguments to one_box, correct docsJohannes Ranke1-7/+8
2017-01-19Predict parent decline without fitting for non-SFO modelsJohannes Ranke1-3/+37
2017-01-19Switch sawtooth plotting example to FOMCJohannes Ranke1-8/+11
as this it is claimed in the README that an mkinfit prediction is used. - Add another seealso link - Delete trailing whitespace

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