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2020-07-23PEC_sw_drift: Rautmann formula (1 app, Ackerbau)Johannes Ranke1-4/+19
This makes it possible to calculate drift PECsw for other distances than present in the JKI data or the Rautmann paper.
2020-07-07Remove copyright headers, update TOXSWA_cwa testJohannes Ranke5-3/+3
- The window column of the windows component of a TOXSWA_cwa object is not a factor any more, but a character vector. - testthat::expect_equal_to_reference is replaced by testthat::expect_known_output, so we can have git diff show what has changed
2020-04-16Make na.rm = FALSE the default for geomean()Johannes Ranke1-2/+2
This makes more sense and is in line with mean() from base R. Adapt tests and update docs.
2019-10-15Residue processing for depth profiles over timeJohannes Ranke1-11/+53
2019-10-10Fix set_nd for metabolites, handle zero at time zeroJohannes Ranke1-0/+2
2019-10-10Finish documentation of set_nd and test itJohannes Ranke1-0/+42
2019-09-27Fix for UK drainage, some EFSA interception and washoffJohannes Ranke1-2/+5
- PEC_sw_drainage_UK() gave results that were a little bit too high for the substances with the highest Koc (>4000), as I used 0.01% instead of 0.008% for them. This must have come from an old vesion of the UK data requirements handbook, at least I do not have another explanation - Add EFSA interception (from 2014 DegT50 guidance) and tier 1 crop wash-off factors (from 2017 PEC soil guidance) for some major arable crops - Update docs
2019-02-19Add another test for Exposit drainageJohannes Ranke1-0/+8
to test overriding the mobility group derived from Koc
2019-02-19Add German drainage calculations using Exposit 3.02Johannes Ranke2-19/+75
2019-01-31Separate out PELMO utilities into rPELMOJohannes Ranke1-201/+0
2018-09-22Add test and update docsJohannes Ranke1-0/+20
2018-07-11Improve PELMO testsJohannes Ranke1-19/+15
2018-07-10EFSA PEC soil guidance from 2017Johannes Ranke3-36/+91
- Implement the new guidance as well as possible - Maintenance work addressing CRAN checks
2017-10-27Exposit runoff calculations for surface waterJohannes Ranke1-0/+25
2017-06-22Add scenario, region and season to run nameJohannes Ranke1-19/+23
2017-06-20Tests for Step 1 and 2 (input file only) pass, PELMO failsJohannes Ranke1-28/+88
There are spurious errors in the output PELMO generates. Two examples are in the test.log
2017-06-19Single line of generated Step12 input file partially validatedJohannes Ranke1-68/+104
2017-06-17Start with the generation of an input fileJohannes Ranke1-2/+13
2017-05-24Re-enable PELMO examples and testsJohannes Ranke1-6/+20
- Add .gitattributes to make sure CRLF line endings are kept for PELMO .psm files - Update static docs
2017-05-17Simplify tests where possibleJohannes Ranke1-11/+6
2017-05-16Add TWA concentrations for days > 1, fix linkJohannes Ranke1-14/+14
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 Ranke2-16/+88
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 Ranke1-0/+52
2017-01-30Test reproducing the FOCUS Summary informationJohannes Ranke1-1/+35
generated from the FOCUS PELMO GUI, as copied into the text files in the testdata directory.
2017-01-30Use relative tolerance of 1e-6 for flux testJohannes Ranke1-1/+3
to pass test also for more extreme situations as in the current test data.
2017-01-29Setting up PELMO runs, execution and evaluationJohannes Ranke1-18/+56
It all works!
2017-01-27Also test run with metabolitesJohannes Ranke1-30/+33
2017-01-27Set up FOCUS PELMO runs and run them in parallelJohannes Ranke2-0/+101
- 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
2017-01-19Move mkin::twa to pfm::max_twa.mkinfitJohannes Ranke1-0/+11
- 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
2016-09-27Reorganise repository using standard package layoutJohannes Ranke12-0/+262

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