mkin/tests/testthat, branch v0.9.43 Fitting kinetic models to chemical degradation data (also on github) https://cgit.jrwb.de/mkin/atom?h=v0.9.43 2016-04-21T15:37:54Z Avoid unnecessary stop in edge case, improve warnings 2016-04-21T15:37:54Z Johannes Ranke jranke@uni-bremen.de 2016-04-21T15:34:38Z urn:sha1:0b36fb666b84321814eabbc1a25687ee70d789e6 mkinfit: Do not error out in cases where the fit converges, but the Jacobian for the untransformed model cost can not be estimated. Give a warning instead and return NA for the t-test results. summary.mkinfit: Give a warning message when the covariance matrix can not be obtained. A test has been added to containing such an edge case to check that the warnings are correctly issued and the fit does not terminate. Do the t-test for untransformed parameters 2015-06-21T13:23:20Z Johannes Ranke jranke@uni-bremen.de 2015-06-20T23:46:51Z urn:sha1:6733555d7a9315c55001770bacc4c61c4d4f39d5 Include output in README, use mkinsub() in example code 2015-05-19T08:46:30Z Johannes Ranke jranke@uni-bremen.de 2015-05-19T08:46:30Z urn:sha1:e338c9a5a8da42e5f7b8940b96d150752767d75a Make mkinmod quiet in tests 2015-05-15T12:04:49Z Johannes Ranke jranke@uni-bremen.de 2015-05-15T12:04:49Z urn:sha1:ffc12f79fdb283bc59f073208c883b84271be121 Add synthetic data generated for UBA expertise, tests 2015-05-15T11:04:36Z Johannes Ranke jranke@uni-bremen.de 2015-05-15T11:04:36Z urn:sha1:9a5d2378845e584a2a2c6c09f7ef99a82d09273b The new tests are based on the results documented in the expertise I wrote for the UBA (currently unpublished). Relax test tolerance for SFORB, FOCUS B and deSolve 2015-05-15T09:45:12Z Johannes Ranke jranke@uni-bremen.de 2015-05-15T09:45:12Z urn:sha1:ded6e62ad7d1a4aa565a06f33964db0af8c7d78b While this was OK on my local windows machine, the test failed on winbuilder Make FOMC test for FOCUS A robust towards non-convergence 2015-05-15T09:03:43Z Johannes Ranke jranke@uni-bremen.de 2015-05-15T09:03:43Z urn:sha1:4fa48c8ef79d75c008fe5cbd0f57b3d96db0b888 Also migrate test for mkinpredict 2015-05-15T09:03:16Z Johannes Ranke jranke@uni-bremen.de 2015-05-15T09:02:19Z urn:sha1:fbf43bbfd6e7ed265fea1cfd0e6b0004dbb6cde2 Skip testing FOMC with FOCUS A Windows 2015-05-15T08:39:55Z Johannes Ranke jranke@uni-bremen.de 2015-05-15T08:39:55Z urn:sha1:25a9e7b1014d0b9bc956b45a5da61496a7b37ccf Testing the package on winbuilder shows that the Port algorithm does not converge on Windows with this combination, which is not a problem as the FOMC model is not appropriate for the dataset anyways. Finished migration from RUnit to testthat 2015-05-15T06:51:06Z Johannes Ranke jranke@uni-bremen.de 2015-05-15T06:49:40Z urn:sha1:656466946f093617ababebe5ec3b36809234112a