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2017-05-16Add TWA concentrations for days > 1, fix linkJohannes Ranke2-6/+11
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 Ranke8-16/+111
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/+58
2017-01-31Small documentation fixJohannes Ranke1-1/+1
2017-01-30Correct psm file in the example with metabolitesJohannes Ranke1-1/+26
2017-01-30Test reproducing the FOCUS Summary informationJohannes Ranke2-1/+10
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 Ranke7-30/+70
It all works!
2017-01-27Set up FOCUS PELMO runs and run them in parallelJohannes Ranke8-1/+169
- 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 Ranke1-6/+14
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 Ranke3-3/+3
2017-01-19Move mkin::twa to pfm::max_twa.mkinfitJohannes Ranke2-4/+27
- 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 Ranke1-1/+5
2017-01-19Documentation updatesJohannes Ranke1-4/+3
2017-01-19Fix order of arguments to one_box, correct docsJohannes Ranke2-6/+7
2017-01-19Predict parent decline without fitting for non-SFO modelsJohannes Ranke2-3/+14
2017-01-19Switch sawtooth plotting example to FOMCJohannes Ranke2-2/+7
as this it is claimed in the README that an mkinfit prediction is used. - Add another seealso link - Delete trailing whitespace
2017-01-18Update static docs using pkgdownJohannes Ranke4-5/+5
- Add _pkgdown.yml for a structured function/data reference - Make seealso links active - Make mkinfit calls quiet - Use pkgdown branch from pull request hadley/pkgdown#229 to have topics ordered
2017-01-18One box time series and twa valuesJohannes Ranke5-0/+167
- 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
2016-12-14Changelog update and roxygen runJohannes Ranke16-25/+11
2016-12-12Fix reading .out for acronyms containing numbersJohannes Ranke2-2/+2
2016-09-27Reorganise repository using standard package layoutJohannes Ranke16-0/+791

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