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2017-06-20Tests for Step 1 and 2 (input file only) pass, PELMO failsJohannes Ranke1-0/+16
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 Ranke1-0/+24
2017-05-24Re-enable PELMO examples and testsJohannes Ranke1-0/+12
- Add .gitattributes to make sure CRLF line endings are kept for PELMO .psm files - Update static docs
2017-05-17Simplify tests where possibleJohannes Ranke1-0/+28
2017-05-16Add TWA concentrations for days > 1, fix linkJohannes Ranke1-0/+9
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 Ranke1-0/+18
Some cleaning up. PELMO facilities do not currently work at my end, as I have no working wine installation on this computer
2017-03-28Update ChangelogJohannes Ranke1-0/+18
2017-01-31Small documentation fixJohannes Ranke1-0/+12
2017-01-30Correct psm file in the example with metabolitesJohannes Ranke1-0/+15
2017-01-30Test reproducing the FOCUS Summary informationJohannes Ranke1-0/+14
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 Ranke1-0/+12
to pass test also for more extreme situations as in the current test data.
2017-01-30Better documentation of PELMO_runs().Johannes Ranke1-1/+7
2017-01-29Setting up PELMO runs, execution and evaluationJohannes Ranke1-0/+29
It all works!
2017-01-27Also test run with metabolitesJohannes Ranke1-2/+9
2017-01-27Set up FOCUS PELMO runs and run them in parallelJohannes Ranke1-0/+48
- 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
2017-01-19Corrections in the documentationJohannes Ranke1-0/+12
2017-01-19Fix one_box for ini = 1, use in sawtooth examplesJohannes Ranke1-0/+13
2017-01-19Move mkin::twa to pfm::max_twa.mkinfitJohannes Ranke1-0/+6
- 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 Ranke1-0/+12
2017-01-19Fix order of arguments to one_box, correct docsJohannes Ranke1-0/+56
2017-01-18One box time series and twa valuesJohannes Ranke1-0/+17
- one_box() creates decline time series from mkinfit objects or simply from a half-life - sawtooth() generates sawtooth curves for arbitrary application patterns and decline models - twa() calculates moving window averages - max_twa() gives their maxima and - plot.one_box() can plot series generated by one_box() or sawtooth(), optionally adding a greay rectangle to illustrate the maximum moving window time weighted average
2016-12-22Fix reading in times from .out filesJohannes Ranke1-0/+17
The code from the previous commit was broken. Also, the time zone for the times that are read is now wet to 'UTC', in order to avoid setting different time zones due to daylight savings, which introduces artificial one-hour offsets on changeover days.
2016-12-12Fix reading .out for acronyms containing numbersJohannes Ranke1-0/+12
2016-09-27Reorganise repository using standard package layoutJohannes Ranke1-0/+392

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