[CHNOSZ-commits] r404 - in pkg/CHNOSZ: . inst inst/extdata/OBIGT tests/testthat vignettes

noreply at r-forge.r-project.org noreply at r-forge.r-project.org
Fri Feb 22 02:18:45 CET 2019


Author: jedick
Date: 2019-02-22 02:18:45 +0100 (Fri, 22 Feb 2019)
New Revision: 404

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/inst/NEWS
   pkg/CHNOSZ/inst/extdata/OBIGT/AkDi.csv
   pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv
   pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz
   pkg/CHNOSZ/inst/extdata/OBIGT/refs.csv
   pkg/CHNOSZ/tests/testthat/test-eos.R
   pkg/CHNOSZ/vignettes/anintro.Rmd
   pkg/CHNOSZ/vignettes/obigt.bib
Log:
OBIGT/inorganic_aq.csv: re-add Au+3, AuCl3-2, AuCl4-3


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2019-02-21 15:33:37 UTC (rev 403)
+++ pkg/CHNOSZ/DESCRIPTION	2019-02-22 01:18:45 UTC (rev 404)
@@ -1,6 +1,6 @@
-Date: 2019-02-21
+Date: 2019-02-22
 Package: CHNOSZ
-Version: 1.2.0-11
+Version: 1.2.0-12
 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/inst/NEWS
===================================================================
--- pkg/CHNOSZ/inst/NEWS	2019-02-21 15:33:37 UTC (rev 403)
+++ pkg/CHNOSZ/inst/NEWS	2019-02-22 01:18:45 UTC (rev 404)
@@ -1,4 +1,4 @@
-CHANGES IN CHNOSZ 1.2.0-11 (2019-02-21)
+CHANGES IN CHNOSZ 1.2.0-12 (2019-02-22)
 ---------------------------------------
 
 CRAN COMPLIANCE
@@ -38,6 +38,8 @@
 - Add gaseous HF and HCl to as requirements for the Akinfiev-Diamond
   model for dissolved gases.
 
+- Move Au+3, AuCl3-2, and AuCl4-3 back into default database.
+
 DOCUMENTATION
 
 - In demo/NaCl.R, indicate region not considered by Shock et al., 1992

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/AkDi.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/AkDi.csv	2019-02-21 15:33:37 UTC (rev 403)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/AkDi.csv	2019-02-22 01:18:45 UTC (rev 404)
@@ -15,7 +15,6 @@
 propane,NA,C3H8,aq,AD03.2,NA,21.Feb.19,-2021,NA,33.49,NA,67,-25.3879,28.2616,-1.1471,NA,NA,NA,NA,NA
 butane,NA,C4H10,aq,AD03.2,NA,21.Feb.19,99,NA,39.66,NA,82.8,-33.8492,36.1457,-1.6849,NA,NA,NA,NA,NA
 benzene,NA,C6H6,aq,AD03.2,NA,21.Feb.19,32000,NA,35.62,NA,83.5,-39.109,37.5421,-1.9046,NA,NA,NA,NA,NA
-H3BO3,NA,H3BO3,aq,AD03.2,NA,21.Feb.19,-231540,NA,38.79,NA,39.6,-3.5423,3.4693,-1.085,NA,NA,NA,NA,NA
 HF,NA,HF,aq,AD03.2,NA,21.Feb.19,-71662,NA,22.5,NA,12.5,3.0888,-3.5714,0.1008,NA,NA,NA,NA,NA
 SO2,NA,SO2,aq,AD03.2,NA,21.Feb.19,-71980,NA,38.7,NA,38.5,-14.5223,14.3512,-0.4295,NA,NA,NA,NA,NA
 B(OH)3,NA,B(OH)3,aq,AP14,NA,22.Feb.19,NA,NA,NA,NA,NA,-4.2561,4.0194,-1.057,NA,NA,NA,NA,NA

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv	2019-02-21 15:33:37 UTC (rev 403)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/SLOP98.csv	2019-02-22 01:18:45 UTC (rev 404)
@@ -1,11 +1,8 @@
 name,abbrv,formula,state,ref1,ref2,date,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
 AuCl,AuCl,AuCl,aq,"SSH97.1 [S98]",NA,2.Oct.97,-3184,-2140,41.47,-9.83,38.61,7.0357,9.4008,2.0481,-3.1676,0.0551,-5.0371,-0.038,0
 AuCl2-,AuCl2-,AuCl2-,aq,"SSH97.1 [S98]",NA,2.Oct.97,-36781,-44725,53.6,-24.52,69.26,11.5192,20.3482,-2.2547,-3.6201,-0.6764,-8.03,0.8173,-1
-AuCl3-2,AuCl3-2,AuCl3-2,aq,"SSH97.1 [S98]",NA,2.Oct.97,-67811,-86023,61.39,-43.48,103.42,16.6878,32.9687,-7.2151,-4.1419,1.7155,-11.891,2.2827,-2
-AuCl4-3,AuCl4-3,AuCl4-3,aq,"SSH97.1 [S98]",CHNOSZ.3,2.Oct.97,-35332,23573,-32.72,-1.36,-20.66,-0.5361,-9.0876,9.3148,-2.4033,19.7251,-3.3107,1.5579,-3
 Au(HS)2-,Au(HS)2-,Au(HS)2-,aq,"SSH97.1 [S98]",NA,9.Oct.97,2429,-2509,56.77,6.06,75.39,12.342,22.3572,-3.0443,-3.7032,16.8038,-1.8007,0.7693,-1
 Au+,Au+,Au+,aq,"SSWS97.2 [S98]",SH88.1,13.Nov.97,39000,47900,25.6,-0.3,12.5,3.5312,0.8428,5.4139,-2.8137,7.5089,-3.0956,0.1648,1
-Au+3,Au+3,Au+3,aq,"SSWS97.2 [S98]",SH88.1,13.Nov.97,103600,97800,-54.8,-8.2,-31.4,-1.7167,-11.9654,10.4352,-2.2843,23.5775,-4.7048,2.4115,3
 Au(Ac),NA,AuCH3COO,aq,"SK93.1 [S98]",NA,10.Sep.92,-49870,-68310,48,56.1,61.8,10.213,17.1576,-0.9969,-3.4882,38.7432,8.3843,-0.03,0
 Au(Ac)2-,NA,Au(CH3COO)2-,aq,"SK93.1 [S98]",NA,10.Sep.92,-138240,-186750,61.3,132.8,118.3,18.1917,36.6392,-8.6534,-4.2936,90.461,24.0193,0.701,-1
 AsO4-3,AsO4-3,AsO4-3,aq,"SSWS97.3 [S98]",NA,11.Nov.97,-154970,-212270,-38.9,-116.1,-18.7,1.0308,-5.2609,7.8091,-2.5614,-12.1352,-26.6841,5.399,-3

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz	2019-02-21 15:33:37 UTC (rev 403)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_aq.csv.xz	2019-02-22 01:18:45 UTC (rev 404)
@@ -1,4 +1,4 @@
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 L4›„)Gìúɯ¦mL’ø¾ðÒUVÉäôCŸC¤‚ÍÚMwÄNe œ%EBs…3_HͪK7O"L»Ù!+6Ë:lµ`³pŸÈþ…þ}²ÍõÞašo"æv¢9AÆ÷~…I}¾¢‰ÞÏÞ.Q–’äÏ/gc+˜ñf$E»)ÉLaՍ|«!«×RŠ_T".ƱãÆ« LVšêYÈjWÀ¢Ð…£Ž‹pë3?7¡t¡
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[TRUNCATED]

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    svnlook diff /svnroot/chnosz -r 404


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