[CHNOSZ-commits] r396 - in pkg/CHNOSZ: . tests/testthat

[noreply at r-forge.r-project.org]

Author: jedick
Date: 2019-02-15 04:27:44 +0100 (Fri, 15 Feb 2019)
New Revision: 396

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/tests/testthat/test-wjd.R
Log:
test-wjd.R: workaround for "Additional issues" on CRAN (alternative BLAS implementations)


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2019-02-15 00:53:56 UTC (rev 395)
+++ pkg/CHNOSZ/DESCRIPTION	2019-02-15 03:27:44 UTC (rev 396)
@@ -1,6 +1,6 @@
 Date: 2019-02-15
 Package: CHNOSZ
-Version: 1.2.0-2
+Version: 1.2.0-3
 Title: Thermodynamic Calculations and Diagrams for Geochemistry
 Authors at R: c(
     person("Jeffrey", "Dick", , "j3ffdick at gmail.com", role = c("aut", "cre"),

Modified: pkg/CHNOSZ/tests/testthat/test-wjd.R
===================================================================
--- pkg/CHNOSZ/tests/testthat/test-wjd.R	2019-02-15 00:53:56 UTC (rev 395)
+++ pkg/CHNOSZ/tests/testthat/test-wjd.R	2019-02-15 03:27:44 UTC (rev 396)
@@ -19,8 +19,10 @@
 })
 
 test_that("open-system equilibrium distributions reproduce the results of wjd()", {
-#  ### FIXME: equil.potentials(w) returns NULL unless we use parameters for [Gly] from DLH06 20190206
-#  add.obigt("OldAA")
+  ### FIXME: equil.potentials(w) returns NULL unless we use group additivity parameters from DLH06 20190206
+  ### (issue appears with MKL and OpenBLAS CRAN checks)
+  reset()
+  add.obigt("OldAA")
   ### set up system
   # use proteins in the lipid particle (n=19)
   y <- yeastgfp("lipid.particle")
@@ -60,11 +62,9 @@
   # the test: abundances calculated both ways are equal
   expect_equal(X.closed, X.open, tolerance=0.018)
   # seems that we could do better than that 1.8% mean difference!
+  reset()
 })
 
-# see also test-swap.basis.R for an example using run.wjd() and 
-# equil.potentials() to generate chemical potentials of elements
-
 # references
 
 # White, W. B., Johnson, S. M. and Dantzig, G. B. (1958)