[CHNOSZ-commits] r963 - in pkg/CHNOSZ: . inst/tinytest

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

Author: jedick
Date: 2026-02-10 00:08:58 +0100 (Tue, 10 Feb 2026)
New Revision: 963

Added:
   pkg/CHNOSZ/inst/tinytest/test-util.protein.R
Modified:
   pkg/CHNOSZ/DESCRIPTION
Log:
Add missing tests for MP90.cp()


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2026-01-12 11:12:01 UTC (rev 962)
+++ pkg/CHNOSZ/DESCRIPTION	2026-02-09 23:08:58 UTC (rev 963)
@@ -1,6 +1,6 @@
 Date: 2026-01-12
 Package: CHNOSZ
-Version: 2.2.0-29
+Version: 2.2.0-30
 Title: Thermodynamic Calculations and Diagrams for Geochemistry
 Authors at R: c(
     person("Jeffrey", "Dick", , "j3ffdick at gmail.com", role = c("aut", "cre"),

Added: pkg/CHNOSZ/inst/tinytest/test-util.protein.R
===================================================================
--- pkg/CHNOSZ/inst/tinytest/test-util.protein.R	                        (rev 0)
+++ pkg/CHNOSZ/inst/tinytest/test-util.protein.R	2026-02-09 23:08:58 UTC (rev 963)
@@ -0,0 +1,10 @@
+# Load default settings for CHNOSZ
+reset()
+
+# Test added on 20260112
+
+info <- "MP90.cp() gives expected results"
+# Reference values from Fig. 11 of Dick et al. (2006)
+expect_equal(round(convert(MP90.cp("AMYA_PYRFU", 100), "cal") / 1e3), 44, info = info)
+expect_equal(round(convert(MP90.cp("RNH_ECOLI", 100), "cal") / 1e3, 1), 9.8, info = info)
+expect_equal(round(convert(MP90.cp("RNH_THET8", 100), "cal") / 1e3, 1), 10.3, info = info)