R Under development (unstable) (2024-02-10 r85885 ucrt) -- "Unsuffered Consequences"
Copyright (C) 2024 The R Foundation for Statistical Computing
Platform: x86_64-w64-mingw32/x64

R is free software and comes with ABSOLUTELY NO WARRANTY.
You are welcome to redistribute it under certain conditions.
Type 'license()' or 'licence()' for distribution details.

R is a collaborative project with many contributors.
Type 'contributors()' for more information and
'citation()' on how to cite R or R packages in publications.

Type 'demo()' for some demos, 'help()' for on-line help, or
'help.start()' for an HTML browser interface to help.
Type 'q()' to quit R.

> # Changed to tinytest 20220129
> 
> if ( requireNamespace("tinytest", quietly = TRUE) ){
+   # Use 4-number package versioning while developing and 3-number versioning for CRAN release
+   # https://stackoverflow.com/questions/36166288/skip-tests-on-cran-but-run-locally
+   # (mentioned in tinytest/vignettes/using_tinytest.pdf)
+   at_home <- length(unclass(packageVersion("CHNOSZ"))[[1]]) == 4
+   tinytest::test_package("CHNOSZ", at_home = at_home)
+ }
CHNOSZ version 2.1.0 (2024-02-11)
reset: creating "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-AD.R.....................    0 tests    
test-AD.R.....................    0 tests    add.OBIGT: read 24 rows; made 20 replacements, 4 additions [energy units: J and cal]

test-AD.R.....................    0 tests    info.numeric: H of benzene(aq) is NA; set to -84534.91 J mol-1
info.numeric: H of Ne(aq) is NA; set to -34071.66 J mol-1
info.numeric: H of ethylene(aq) is NA; set to -53340.34 J mol-1
info.numeric: H of ethane(aq) is NA; set to -116474.98 J mol-1
info.numeric: H of propane(aq) is NA; set to -153019.07 J mol-1
info.numeric: H of butane(aq) is NA; set to -189733.11 J mol-1
info.numeric: H of benzene(aq) is NA; set to -84534.91 J mol-1
info.numeric: H of HF(aq) is NA; set to -114665.81 J mol-1
info.numeric: H of SO2(aq) is NA; set to -131164.56 J mol-1
info.numeric: H of B(OH)3(gas) is NA; set to -238987.68 cal mol-1
info.numeric: Cp° of B(OH)3(gas) is NA; set by EOS parameters to 17.15 cal K-1 mol-1
info.numeric: H of Si(OH)4(gas) is NA; set to -320806.72 cal mol-1
info.numeric: Cp° of Si(OH)4(gas) is NA; set by EOS parameters to 26.94 cal K-1 mol-1
info.numeric: H of As(OH)3(gas) is NA; set to -159567.33 cal mol-1
info.numeric: Cp° of As(OH)3(gas) is NA; set by EOS parameters to 12.74 cal K-1 mol-1

test-AD.R.....................    0 tests    info.numeric: H of benzene(aq) is NA; set to -84534.91 J mol-1
info.numeric: H of Ne(aq) is NA; set to -34071.66 J mol-1
info.numeric: H of ethylene(aq) is NA; set to -53340.34 J mol-1
info.numeric: H of ethane(aq) is NA; set to -116474.98 J mol-1
info.numeric: H of propane(aq) is NA; set to -153019.07 J mol-1
info.numeric: H of butane(aq) is NA; set to -189733.11 J mol-1
info.numeric: H of benzene(aq) is NA; set to -84534.91 J mol-1
info.numeric: H of HF(aq) is NA; set to -114665.81 J mol-1
info.numeric: H of SO2(aq) is NA; set to -131164.56 J mol-1

test-AD.R.....................    1 tests OK info.numeric: H of benzene(aq) is NA; set to -84534.91 J mol-1
info.numeric: H of Ne(aq) is NA; set to -34071.66 J mol-1
info.numeric: H of ethylene(aq) is NA; set to -53340.34 J mol-1
info.numeric: H of ethane(aq) is NA; set to -116474.98 J mol-1
info.numeric: H of propane(aq) is NA; set to -153019.07 J mol-1
info.numeric: H of butane(aq) is NA; set to -189733.11 J mol-1
info.numeric: H of benzene(aq) is NA; set to -84534.91 J mol-1
info.numeric: H of HF(aq) is NA; set to -114665.81 J mol-1
info.numeric: H of SO2(aq) is NA; set to -131164.56 J mol-1
info.numeric: H of B(OH)3(gas) is NA; set to -238987.68 cal mol-1
info.numeric: Cp° of B(OH)3(gas) is NA; set by EOS parameters to 17.15 cal K-1 mol-1
info.numeric: H of Si(OH)4(gas) is NA; set to -320806.72 cal mol-1
info.numeric: Cp° of Si(OH)4(gas) is NA; set by EOS parameters to 26.94 cal K-1 mol-1
info.numeric: H of As(OH)3(gas) is NA; set to -159567.33 cal mol-1
info.numeric: Cp° of As(OH)3(gas) is NA; set by EOS parameters to 12.74 cal K-1 mol-1

test-AD.R.....................    1 tests OK 
test-AD.R.....................    2 tests OK 
test-AD.R.....................    2 tests OK 
test-AD.R.....................    2 tests OK 
test-AD.R.....................    2 tests OK 
test-AD.R.....................    2 tests OK 
test-AD.R.....................    2 tests OK 
test-AD.R.....................    2 tests OK 
test-AD.R.....................    2 tests OK info.character: found CO2(aq); also available in gas
subcrt: 1 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]
AD: Akinfiev-Diamond model for CO2 gas to aq

test-AD.R.....................    2 tests OK 
test-AD.R.....................    3 tests OK 
test-AD.R.....................    4 tests OK 
test-AD.R.....................    5 tests OK 
test-AD.R.....................    6 tests OK 
test-AD.R.....................    6 tests OK 
test-AD.R.....................    6 tests OK 
test-AD.R.....................    6 tests OK 
test-AD.R.....................    6 tests OK 
test-AD.R.....................    6 tests OK 
test-AD.R.....................    6 tests OK 
test-AD.R.....................    6 tests OK info.character: found CO2(aq); also available in gas
subcrt: 1 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]
AD: Akinfiev-Diamond model for CO2 gas to aq

test-AD.R.....................    6 tests OK 
test-AD.R.....................    7 tests OK 
test-AD.R.....................    8 tests OK 
test-AD.R.....................    9 tests OK 
test-AD.R.....................    9 tests OK 
test-AD.R.....................    9 tests OK 
test-AD.R.....................    9 tests OK 
test-AD.R.....................   10 tests OK 
test-AD.R.....................   10 tests OK 
test-AD.R.....................   11 tests OK 
test-AD.R.....................   12 tests OK 
test-AD.R.....................   13 tests OK 
test-AD.R.....................   14 tests OK 
test-AD.R.....................   15 tests OK 
test-AD.R.....................   15 tests OK info.numeric: H of benzene(aq) is NA; set to -84534.91 J mol-1
info.numeric: H of Ne(aq) is NA; set to -34071.66 J mol-1
info.numeric: H of ethylene(aq) is NA; set to -53340.34 J mol-1
info.numeric: H of ethane(aq) is NA; set to -116474.98 J mol-1
info.numeric: H of propane(aq) is NA; set to -153019.07 J mol-1
info.numeric: H of butane(aq) is NA; set to -189733.11 J mol-1
info.numeric: H of benzene(aq) is NA; set to -84534.91 J mol-1
info.numeric: H of HF(aq) is NA; set to -114665.81 J mol-1
info.numeric: H of SO2(aq) is NA; set to -131164.56 J mol-1

test-AD.R.....................   15 tests OK subcrt: 19 species at 25 ºC and 1 bar (wet) [energy units: J]
AD: Akinfiev-Diamond model for Ar gas to aq
AD: Akinfiev-Diamond model for H2S gas to aq
AD: Akinfiev-Diamond model for O2 gas to aq
AD: Akinfiev-Diamond model for N2 gas to aq
AD: Akinfiev-Diamond model for NH3 gas to aq
AD: Akinfiev-Diamond model for H2 gas to aq
AD: Akinfiev-Diamond model for CH4 gas to aq
AD: Akinfiev-Diamond model for CO2 gas to aq
AD: Akinfiev-Diamond model for benzene gas to aq
AD: Akinfiev-Diamond model for HCl gas to aq
AD: Akinfiev-Diamond model for Ne gas to aq
AD: Akinfiev-Diamond model for ethylene gas to aq
AD: Akinfiev-Diamond model for ethane gas to aq
AD: Akinfiev-Diamond model for propane gas to aq
AD: Akinfiev-Diamond model for butane gas to aq
AD: Akinfiev-Diamond model for benzene gas to aq
AD: Akinfiev-Diamond model for HF gas to aq
AD: Akinfiev-Diamond model for SO2 gas to aq
AD: Akinfiev-Diamond model for B(OH)3 gas to aq

test-AD.R.....................   15 tests OK 
test-AD.R.....................   15 tests OK OBIGT: loading default database with 1940 aqueous, 3486 total species

test-AD.R.....................   15 tests OK subcrt: 19 species at 25 ºC and 1 bar (wet) [energy units: J]

test-AD.R.....................   15 tests OK 
test-AD.R.....................   15 tests OK 
test-AD.R.....................   16 tests OK 
test-AD.R.....................   17 tests OK 
test-AD.R.....................   17 tests OK 0.7s [Exited at #90: Skipping tests on CRAN]
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-Berman.R.................    0 tests    
test-Berman.R.................    0 tests    
test-Berman.R.................    0 tests    
test-Berman.R.................    0 tests    
test-Berman.R.................    1 tests OK 
test-Berman.R.................    1 tests OK 
test-Berman.R.................    1 tests OK 
test-Berman.R.................    1 tests OK 
test-Berman.R.................    1 tests OK 
test-Berman.R.................    1 tests OK subcrt: 1 species at 4 values of T (ºC) and P (bar) [energy units: J]

test-Berman.R.................    1 tests OK 
test-Berman.R.................    2 tests OK 
test-Berman.R.................    2 tests OK subcrt: 1 species at 4 values of T (ºC) and P (bar) [energy units: J]

test-Berman.R.................    2 tests OK 
test-Berman.R.................    3 tests OK 
test-Berman.R.................    4 tests OK 
test-Berman.R.................    4 tests OK subcrt: 1 species at 4 values of T (ºC) and P (bar) [energy units: J]

test-Berman.R.................    4 tests OK 
test-Berman.R.................    5 tests OK 
test-Berman.R.................    6 tests OK 
test-Berman.R.................    6 tests OK 
test-Berman.R.................    6 tests OK 
test-Berman.R.................    7 tests OK 
test-Berman.R.................    7 tests OK 
test-Berman.R.................    8 tests OK 
test-Berman.R.................    8 tests OK 
test-Berman.R.................    9 tests OK 
test-Berman.R.................    9 tests OK water.SUPCRT92: errors calculating 2 of 6 points; for Psat we need 273.16 < T < 647.067 K
info.character: found H2O(liq) [water]; also available in cr
subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]

test-Berman.R.................    9 tests OK 
test-Berman.R.................    9 tests OK 
test-Berman.R.................    9 tests OK 
test-Berman.R.................    9 tests OK 
test-Berman.R.................   10 tests OK 
test-Berman.R.................   10 tests OK 
test-Berman.R.................   11 tests OK 
test-Berman.R.................   11 tests OK 
test-Berman.R.................   11 tests OK 
test-Berman.R.................   11 tests OK 
test-Berman.R.................   12 tests OK 
test-Berman.R.................   12 tests OK 
test-Berman.R.................   12 tests OK 
test-Berman.R.................   12 tests OK add.OBIGT: read 177 rows; made 65 replacements, 112 additions [energy units: cal]

test-Berman.R.................   12 tests OK 
test-Berman.R.................   12 tests OK 
test-Berman.R.................   12 tests OK 
test-Berman.R.................   12 tests OK 
test-Berman.R.................   12 tests OK 
test-Berman.R.................   12 tests OK 
test-Berman.R.................   12 tests OK 
test-Berman.R.................   12 tests OK 
test-Berman.R.................   12 tests OK 
test-Berman.R.................   13 tests OK 
test-Berman.R.................   13 tests OK 
test-Berman.R.................   13 tests OK 
test-Berman.R.................   14 tests OK 
test-Berman.R.................   14 tests OK 
test-Berman.R.................   14 tests OK 
test-Berman.R.................   15 tests OK 
test-Berman.R.................   15 tests OK 
test-Berman.R.................   15 tests OK 
test-Berman.R.................   16 tests OK 
test-Berman.R.................   16 tests OK 
test-Berman.R.................   16 tests OK 
test-Berman.R.................   17 tests OK 0.8s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-DEW.R....................    0 tests    water: setting water model to DEW

test-DEW.R....................    0 tests    add.OBIGT: read 210 rows; made 193 replacements, 17 additions [energy units: cal]

test-DEW.R....................    0 tests    
test-DEW.R....................    0 tests    
test-DEW.R....................    0 tests    
test-DEW.R....................    0 tests    
test-DEW.R....................    0 tests    
test-DEW.R....................    0 tests    
test-DEW.R....................    1 tests OK 
test-DEW.R....................    1 tests OK 
test-DEW.R....................    1 tests OK 
test-DEW.R....................    1 tests OK 
test-DEW.R....................    1 tests OK 
test-DEW.R....................    1 tests OK 
test-DEW.R....................    2 tests OK 
test-DEW.R....................    2 tests OK 
test-DEW.R....................    2 tests OK 
test-DEW.R....................    2 tests OK 
test-DEW.R....................    2 tests OK 
test-DEW.R....................    2 tests OK 
test-DEW.R....................    3 tests OK 
test-DEW.R....................    3 tests OK 
test-DEW.R....................    3 tests OK 
test-DEW.R....................    3 tests OK 
test-DEW.R....................    3 tests OK 
test-DEW.R....................    3 tests OK 
test-DEW.R....................    4 tests OK 
test-DEW.R....................    4 tests OK 
test-DEW.R....................    4 tests OK 
test-DEW.R....................    4 tests OK 
test-DEW.R....................    4 tests OK 
test-DEW.R....................    4 tests OK 
test-DEW.R....................    4 tests OK 
test-DEW.R....................    5 tests OK changed energy units to cal

test-DEW.R....................    5 tests OK 
test-DEW.R....................    5 tests OK 
test-DEW.R....................    5 tests OK 
test-DEW.R....................    5 tests OK info.character: found HCl(aq); also available in gas
subcrt: 1 species at 8 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................    5 tests OK 
test-DEW.R....................    5 tests OK 
test-DEW.R....................    6 tests OK subcrt: 1 species at 8 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................    6 tests OK 
test-DEW.R....................    6 tests OK 
test-DEW.R....................    7 tests OK 
test-DEW.R....................    7 tests OK 
test-DEW.R....................    7 tests OK 
test-DEW.R....................    7 tests OK info.character: found H2O(liq) [water]; also available in cr
info.character: found CO2(aq); also available in gas
subcrt: 4 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................    7 tests OK subcrt: 3 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................    7 tests OK info.character: found acetic acid(aq); also available in liq
subcrt: 3 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................    7 tests OK info.character: found H2O(liq) [water]; also available in cr
info.character: found CO2(aq); also available in gas
info.character: found acetic acid(aq); also available in liq
subcrt: 4 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................    7 tests OK info.character: found CH4(aq); also available in gas, liq
info.character: found acetic acid(aq); also available in liq
info.character: found H2O(liq) [water]; also available in cr
subcrt: 4 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................    7 tests OK 
test-DEW.R....................    7 tests OK 
test-DEW.R....................    8 tests OK 
test-DEW.R....................    9 tests OK 
test-DEW.R....................    9 tests OK 
test-DEW.R....................   10 tests OK 
test-DEW.R....................   10 tests OK 
test-DEW.R....................   11 tests OK 
test-DEW.R....................   11 tests OK 
test-DEW.R....................   11 tests OK 
test-DEW.R....................   11 tests OK 
test-DEW.R....................   11 tests OK info.character: found H2O(liq) [water]; also available in cr
info.character: found CO2(aq); also available in gas
subcrt: 3 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK info.character: found H2O(liq) [water]; also available in cr
info.character: found SiO2(aq); also available in cr
subcrt: 5 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK subcrt: 3 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK subcrt: 3 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK info.character: found H2O(liq) [water]; also available in cr
info.character: found SiO2(aq); also available in cr
subcrt: 5 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK subcrt: 3 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK info.character: found H2O(liq) [water]; also available in cr
info.character: found SiO2(aq); also available in cr
subcrt: 5 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK info.character: found H2O(liq) [water]; also available in cr
info.character: found SiO2(aq); also available in cr
subcrt: 4 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK info.character: found MgO(aq); also available in cr
info.character: found H2O(liq) [water]; also available in cr
subcrt: 4 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK info.character: found SiO2(aq); also available in cr
subcrt: 4 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK subcrt: 3 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK info.character: found SiO2(aq); also available in cr
subcrt: 2 species at 2 values of T (ºC) and P (bar) (wet) [energy units: cal]
water.DEW: using SUPCRT calculations for Pr,Tr

test-DEW.R....................   11 tests OK 
test-DEW.R....................   12 tests OK 
test-DEW.R....................   13 tests OK 
test-DEW.R....................   14 tests OK 
test-DEW.R....................   15 tests OK 
test-DEW.R....................   16 tests OK 
test-DEW.R....................   17 tests OK 
test-DEW.R....................   18 tests OK 
test-DEW.R....................   19 tests OK 
test-DEW.R....................   20 tests OK 
test-DEW.R....................   21 tests OK 
test-DEW.R....................   22 tests OK 
test-DEW.R....................   23 tests OK 1.1s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-EOSregress.R.............    0 tests    
test-EOSregress.R.............    0 tests    
test-EOSregress.R.............    1 tests OK 
test-EOSregress.R.............    1 tests OK 
test-EOSregress.R.............    1 tests OK 
test-EOSregress.R.............    1 tests OK changed temperature units to K

test-EOSregress.R.............    1 tests OK changed energy units to cal

test-EOSregress.R.............    1 tests OK info.character: found CH4(aq); also available in gas, liq
subcrt: 1 species at 135 values of T (K) and P (bar) (wet) [energy units: cal]

test-EOSregress.R.............    1 tests OK 
test-EOSregress.R.............    1 tests OK 
test-EOSregress.R.............    1 tests OK 
test-EOSregress.R.............    1 tests OK 
test-EOSregress.R.............    1 tests OK 
test-EOSregress.R.............    1 tests OK 
test-EOSregress.R.............    1 tests OK info.character: found CH4(aq); also available in gas, liq
check.EOS: calculated Cp° of CH4(aq) differs by -2.61 cal K-1 mol-1 from database value

test-EOSregress.R.............    1 tests OK 
test-EOSregress.R.............    2 tests OK 
test-EOSregress.R.............    3 tests OK 
test-EOSregress.R.............    4 tests OK 
test-EOSregress.R.............    5 tests OK 
test-EOSregress.R.............    6 tests OK 
test-EOSregress.R.............    7 tests OK 
test-EOSregress.R.............    8 tests OK 
test-EOSregress.R.............    9 tests OK 0.2s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    0 tests    
test-IAPWS95.R................    1 tests OK 
test-IAPWS95.R................    2 tests OK 
test-IAPWS95.R................    3 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    4 tests OK 
test-IAPWS95.R................    5 tests OK 
test-IAPWS95.R................    6 tests OK 
test-IAPWS95.R................    7 tests OK 
test-IAPWS95.R................    8 tests OK 
test-IAPWS95.R................    9 tests OK 
test-IAPWS95.R................   10 tests OK 
test-IAPWS95.R................   11 tests OK 
test-IAPWS95.R................   12 tests OK 
test-IAPWS95.R................   13 tests OK 
test-IAPWS95.R................   14 tests OK 
test-IAPWS95.R................   14 tests OK water.IAPWS95: calculating 14 values for rho rho

test-IAPWS95.R................   15 tests OK water.IAPWS95: calculating 16 values for rho rho

test-IAPWS95.R................   16 tests OK 0.3s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-add.protein.R............    0 tests    
test-add.protein.R............    0 tests    
test-add.protein.R............    0 tests    
test-add.protein.R............    0 tests    add.protein: added 11 new protein(s) to thermo()$protein

test-add.protein.R............    0 tests    add.protein: replaced 11 existing protein(s) in thermo()$protein

test-add.protein.R............    0 tests    
test-add.protein.R............    1 tests OK 
test-add.protein.R............    1 tests OK 
test-add.protein.R............    2 tests OK 
test-add.protein.R............    3 tests OK 
test-add.protein.R............    3 tests OK 
test-add.protein.R............    3 tests OK 
test-add.protein.R............    3 tests OK 
test-add.protein.R............    3 tests OK 
test-add.protein.R............    3 tests OK mod.OBIGT: updated [Met](aq)

test-add.protein.R............    3 tests OK mod.OBIGT: updated [Gly](aq)

test-add.protein.R............    3 tests OK mod.OBIGT: updated [UPBB](aq)

test-add.protein.R............    3 tests OK protein.OBIGT: found LYSC_CHICK (C613H959N193O185S10, 129 residues)

test-add.protein.R............    3 tests OK 
test-add.protein.R............    4 tests OK 
test-add.protein.R............    5 tests OK 
test-add.protein.R............    6 tests OK 
test-add.protein.R............    7 tests OK 
test-add.protein.R............    7 tests OK 
test-add.protein.R............    7 tests OK read.fasta: reading EF-Tu.aln ... 64 lines ... 8 sequences

test-add.protein.R............    7 tests OK read.fasta: reading EF-Tu.aln ... 64 lines ... 8 sequences

test-add.protein.R............    8 tests OK read.fasta: reading EF-Tu.aln ... 64 lines ... 8 sequences

test-add.protein.R............    9 tests OK 
test-add.protein.R............   10 tests OK 
test-add.protein.R............   11 tests OK 
test-add.protein.R............   12 tests OK 0.2s

test-affinity.R...............    0 tests    3ms [Exited at #5: Skipping long test]
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-basis.R..................    0 tests    
test-basis.R..................    0 tests    
test-basis.R..................    1 tests OK 
test-basis.R..................    2 tests OK 
test-basis.R..................    3 tests OK 
test-basis.R..................    4 tests OK 
test-basis.R..................    5 tests OK 
test-basis.R..................    6 tests OK 
test-basis.R..................    7 tests OK 
test-basis.R..................    7 tests OK 
test-basis.R..................    8 tests OK 
test-basis.R..................    9 tests OK 
test-basis.R..................   10 tests OK 
test-basis.R..................   10 tests OK 
test-basis.R..................   10 tests OK 
test-basis.R..................   11 tests OK 
test-basis.R..................   11 tests OK 
test-basis.R..................   12 tests OK info.character: found CH4(aq); also available in gas, liq

test-basis.R..................   12 tests OK 
test-basis.R..................   13 tests OK 
test-basis.R..................   14 tests OK 
test-basis.R..................   15 tests OK 
test-basis.R..................   16 tests OK 
test-basis.R..................   16 tests OK 
test-basis.R..................   16 tests OK 
test-basis.R..................   16 tests OK 
test-basis.R..................   17 tests OK 
test-basis.R..................   18 tests OK 
test-basis.R..................   18 tests OK 
test-basis.R..................   19 tests OK 
test-basis.R..................   20 tests OK 
test-basis.R..................   20 tests OK 
test-basis.R..................   20 tests OK 
test-basis.R..................   20 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is pH at 256 values from 0 to 14
subcrt: 7 species at 25 ºC and 1 bar (wet) [energy units: J]
subcrt: 4 polymorphs for iron ... polymorph 1 is stable
subcrt: 4 polymorphs for iron ... polymorph 1 is stable

test-basis.R..................   20 tests OK 
test-basis.R..................   21 tests OK 
test-basis.R..................   22 tests OK 
test-basis.R..................   23 tests OK 
test-basis.R..................   24 tests OK 
test-basis.R..................   25 tests OK 
test-basis.R..................   25 tests OK 
test-basis.R..................   26 tests OK 
test-basis.R..................   27 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is pH at 256 values from 0 to 14
subcrt: 9 species at 25 ºC and 1 bar (wet) [energy units: J]
subcrt: 4 polymorphs for iron ... polymorph 1 is stable
subcrt: 4 polymorphs for iron ... polymorph 1 is stable

test-basis.R..................   27 tests OK 
test-basis.R..................   28 tests OK 0.4s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-buffer.R.................    0 tests    
test-buffer.R.................    0 tests    add.OBIGT: read 177 rows; made 65 replacements, 112 additions [energy units: cal]

test-buffer.R.................    0 tests    
test-buffer.R.................    0 tests    info.character: found quartz(cr) with 1 polymorphic transition
info.character: found SiO2(aq); also available in cr
subcrt: 2 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]
subcrt: 2 polymorphs for quartz ... polymorph 1 is stable

test-buffer.R.................    0 tests    
test-buffer.R.................    0 tests    
test-buffer.R.................    0 tests    
test-buffer.R.................    0 tests    affinity: temperature is 200 ºC
affinity: pressure is 1000 bar
affinity: loading buffer species
subcrt: 13 species at 200 ºC and 1000 bar (wet) [energy units: J]
subcrt: 2 polymorphs for albite ... polymorph 2 is stable
subcrt: 2 polymorphs for quartz ... polymorph 1 is stable
buffer: 'quartz' for activity of SiO2 (active)

test-buffer.R.................    0 tests    
test-buffer.R.................    1 tests OK affinity: pressure is 1000 bar
affinity: variable 1 is T at 4 values from 473.15 to 773.15 K
affinity: loading buffer species
subcrt: 13 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]
subcrt: 2 polymorphs for albite ... polymorph 2 is stable
subcrt: 2 polymorphs for quartz ... polymorph 1 is stable
buffer: 'quartz' for activity of SiO2 (active)

test-buffer.R.................    1 tests OK 
test-buffer.R.................    2 tests OK affinity: pressure is 1000 bar
affinity: variable 1 is T at 4 values from 473.15 to 773.15 K
affinity: variable 2 is log10(a_Na+) at 5 values from 1 to 5
affinity: loading buffer species
subcrt: 13 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]
subcrt: 2 polymorphs for albite ... polymorph 2 is stable
subcrt: 2 polymorphs for quartz ... polymorph 1 is stable
buffer: 'quartz' for activity of SiO2 (active)

test-buffer.R.................    2 tests OK 
test-buffer.R.................    3 tests OK affinity: temperature is 200 ºC
affinity: pressure is 1000 bar
affinity: variable 1 is log10(a_K+) at 5 values from 1 to 5
affinity: variable 2 is log10(a_Na+) at 5 values from 1 to 5
affinity: loading buffer species
subcrt: 13 species at 200 ºC and 1000 bar (wet) [energy units: J]
subcrt: 2 polymorphs for albite ... polymorph 2 is stable
subcrt: 2 polymorphs for quartz ... polymorph 1 is stable
buffer: 'quartz' for activity of SiO2 (active)

test-buffer.R.................    3 tests OK 
test-buffer.R.................    4 tests OK 
test-buffer.R.................    4 tests OK 
test-buffer.R.................    4 tests OK 
test-buffer.R.................    4 tests OK 
test-buffer.R.................    4 tests OK 
test-buffer.R.................    4 tests OK affinity: temperature is 400 ºC
affinity: pressure is 1000 bar
affinity: loading buffer species
subcrt: 4 species at 400 ºC and 1000 bar [energy units: J]
subcrt: 4 polymorphs for iron ... polymorph 1 is stable
subcrt: 3 polymorphs for hematite ... polymorph 1 is stable
subcrt: 2 polymorphs for magnetite ... polymorph 1 is stable
buffer: 'HM' for activity of O2 (active), Fe (conserved)

test-buffer.R.................    4 tests OK info.character: found hematite(cr) with 2 polymorphic transitions
info.character: found magnetite(cr) with 1 polymorphic transition
subcrt: 2 species at 400 ºC and 1000 bar [energy units: J]
subcrt: reaction is not balanced; it is missing this composition:
O 
2 
subcrt: adding missing composition from basis definition and restarting...
subcrt: 3 species at 400 ºC and 1000 bar [energy units: J]
subcrt: 3 polymorphs for hematite ... polymorph 1 is stable
subcrt: 2 polymorphs for magnetite ... polymorph 1 is stable

test-buffer.R.................    4 tests OK 
test-buffer.R.................    5 tests OK 0.6s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-diagram.R................    0 tests    
test-diagram.R................    0 tests    
test-diagram.R................    1 tests OK 
test-diagram.R................    1 tests OK 
test-diagram.R................    1 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 7 species at 25 ºC and 1 bar (wet) [energy units: J]

test-diagram.R................    1 tests OK 
test-diagram.R................    2 tests OK balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 2 3
equilibrate: loga.balance is -2.30102999566398
equilibrate: using reaction method

test-diagram.R................    2 tests OK 
test-diagram.R................    3 tests OK 
test-diagram.R................    3 tests OK 
test-diagram.R................    3 tests OK 
test-diagram.R................    3 tests OK 
test-diagram.R................    3 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: loading buffer species
subcrt: 11 species at 25 ºC and 1 bar (wet) [energy units: J]
buffer: 'CO2-AC' for activity of O2 (active), CO2 (conserved)

test-diagram.R................    3 tests OK 
test-diagram.R................    4 tests OK 
test-diagram.R................    5 tests OK 
test-diagram.R................    6 tests OK balance: on supplied numeric argument (1) [1 means balance on formula units]
diagram: plotting A/(2.303RT) / n.balance

test-diagram.R................    6 tests OK balance: on moles of CO2 in formation reactions
diagram: plotting A/(2.303RT) / n.balance

test-diagram.R................    6 tests OK 
test-diagram.R................    7 tests OK 
test-diagram.R................    7 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is log10(f_O2) at 256 values from -80 to -70
subcrt: 10 species at 25 ºC and 1 bar (wet) [energy units: J]

test-diagram.R................    7 tests OK 
test-diagram.R................    8 tests OK 
test-diagram.R................    9 tests OK 
test-diagram.R................    9 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is log10(f_O2) at 256 values from -80 to -70
affinity: variable 2 is log10(a_CO2) at 256 values from -8.17908291782754 to 1.82091708217246
subcrt: 10 species at 25 ºC and 1 bar (wet) [energy units: J]

test-diagram.R................    9 tests OK 
test-diagram.R................   10 tests OK 
test-diagram.R................   10 tests OK 
test-diagram.R................   10 tests OK 
test-diagram.R................   10 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is log10(f_O2) at 256 values from -80 to -60
subcrt: 10 species at 25 ºC and 1 bar (wet) [energy units: J]

test-diagram.R................   10 tests OK balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 1 1 2 2
equilibrate: loga.balance is -2.22184874961636
equilibrate: using reaction method

test-diagram.R................   10 tests OK 
test-diagram.R................   10 tests OK balance: on moles of CO2 in formation reactions

test-diagram.R................   10 tests OK 
test-diagram.R................   11 tests OK 
test-diagram.R................   12 tests OK 
test-diagram.R................   12 tests OK 
test-diagram.R................   13 tests OK 
test-diagram.R................   13 tests OK 
test-diagram.R................   13 tests OK 
test-diagram.R................   13 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is log10(f_O2) at 256 values from -80 to -70
subcrt: 9 species at 25 ºC and 1 bar (wet) [energy units: J]

test-diagram.R................   13 tests OK balance: on protein length
diagram: plotting A/(2.303RT) / n.balance

test-diagram.R................   14 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is log10(a_H2O) at 256 values from -10 to 0
affinity: variable 2 is log10(f_O2) at 256 values from -80 to -70
subcrt: 9 species at 25 ºC and 1 bar (wet) [energy units: J]

test-diagram.R................   14 tests OK balance: on protein length
diagram: using maximum affinity method for 2-D diagram
diagram: using 'normalize' in calculation of predominant species

test-diagram.R................   14 tests OK balance: on protein length
equilibrate: n.balance is 129 153 124 104
equilibrate: loga.balance is -0.292429823902064
equilibrate: using 'normalize' for molar formulas
equilibrate: using boltzmann method

test-diagram.R................   14 tests OK 
test-diagram.R................   14 tests OK 
test-diagram.R................   15 tests OK 
test-diagram.R................   16 tests OK balance: on protein length
diagram: using maximum affinity method for 2-D diagram
diagram: using 'as.residue' in calculation of predominant species

test-diagram.R................   16 tests OK balance: on protein length
equilibrate: n.balance is 129 153 124 104
equilibrate: loga.balance is -0.292429823902064
equilibrate: using 'as.residue' for molar formulas
equilibrate: using boltzmann method

test-diagram.R................   16 tests OK 
test-diagram.R................   16 tests OK 
test-diagram.R................   17 tests OK 
test-diagram.R................   17 tests OK 
test-diagram.R................   17 tests OK 
test-diagram.R................   17 tests OK affinity: temperature is 30 ºC
affinity: pressure is Psat
affinity: variable 1 is log10(a_H2) at 256 values from -12 to 0
affinity: variable 2 is log10(a_O2) at 256 values from -90 to -50
subcrt: 7 species at 30 ºC and 1 bar (wet) [energy units: J]

test-diagram.R................   17 tests OK balance: on supplied numeric argument (1) [1 means balance on formula units]
equilibrate: n.balance is 1 1 1 1
equilibrate: loga.balance is 0.602059991327962
equilibrate: using boltzmann method

test-diagram.R................   17 tests OK 
test-diagram.R................   17 tests OK 
test-diagram.R................   18 tests OK 
test-diagram.R................   19 tests OK 
test-diagram.R................   19 tests OK 
test-diagram.R................   19 tests OK 
test-diagram.R................   19 tests OK affinity: variable 1 is T at 50 values from 473.15 to 1173.15 K
affinity: variable 2 is P at 51 values from 0 to 9000 bar
subcrt: 6 species at 2550 values of T (ºC) and P (bar) [energy units: J]

test-diagram.R................   19 tests OK balance: on moles of Al2O3 in formation reactions
diagram: using maximum affinity method for 2-D diagram

test-diagram.R................   19 tests OK 
test-diagram.R................   20 tests OK 
test-diagram.R................   21 tests OK 
test-diagram.R................   22 tests OK 
test-diagram.R................   22 tests OK 
test-diagram.R................   22 tests OK 
test-diagram.R................   22 tests OK 
test-diagram.R................   22 tests OK 
test-diagram.R................   22 tests OK 
test-diagram.R................   22 tests OK 
test-diagram.R................   22 tests OK affinity: pressure is Psat
affinity: variable 1 is log10(f_O2) at 4 values from -85 to -70
affinity: variable 2 is T at 4 values from 298.15 to 373.15 K
subcrt: 6 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]

test-diagram.R................   22 tests OK 
test-diagram.R................   22 tests OK 
test-diagram.R................   22 tests OK 
test-diagram.R................   22 tests OK mod.buffer: changed state and/or logact of acetic acid in AC buffer

test-diagram.R................   22 tests OK affinity: pressure is Psat
affinity: variable 1 is log10(f_O2) at 4 values from -85 to -70
affinity: variable 2 is T at 4 values from 298.15 to 373.15 K
affinity: loading buffer species
subcrt: 6 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]
buffer: 'AC' for activity of CO2 (active)

test-diagram.R................   22 tests OK 
test-diagram.R................   22 tests OK 
test-diagram.R................   23 tests OK 1.0s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-eos.R....................    0 tests    
test-eos.R....................    0 tests    
test-eos.R....................    0 tests    info.numeric: Cp° of melanterite(cr) is NA; set by EOS parameters to 0 cal K-1 mol-1

test-eos.R....................    1 tests OK subcrt: 1 species at 4 values of T (ºC) and P (bar) [energy units: J]

test-eos.R....................    1 tests OK 
test-eos.R....................    2 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    3 tests OK 
test-eos.R....................    4 tests OK 
test-eos.R....................    5 tests OK 
test-eos.R....................    6 tests OK 
test-eos.R....................    7 tests OK 
test-eos.R....................    7 tests OK 
test-eos.R....................    7 tests OK 
test-eos.R....................    7 tests OK 
test-eos.R....................    7 tests OK 
test-eos.R....................    8 tests OK 
test-eos.R....................    9 tests OK 
test-eos.R....................   10 tests OK 
test-eos.R....................   11 tests OK 
test-eos.R....................   11 tests OK 
test-eos.R....................   11 tests OK 
test-eos.R....................   11 tests OK 
test-eos.R....................   11 tests OK 
test-eos.R....................   12 tests OK 
test-eos.R....................   13 tests OK 
test-eos.R....................   14 tests OK 
test-eos.R....................   15 tests OK 
test-eos.R....................   15 tests OK 
test-eos.R....................   15 tests OK 
test-eos.R....................   15 tests OK 
test-eos.R....................   15 tests OK 
test-eos.R....................   16 tests OK 
test-eos.R....................   17 tests OK 
test-eos.R....................   18 tests OK 
test-eos.R....................   19 tests OK 
test-eos.R....................   19 tests OK add.OBIGT: read 2 rows; made 1 replacements, 1 additions [energy units: cal]

test-eos.R....................   19 tests OK mod.OBIGT: updated SiO2(aq)
mod.OBIGT: updated Si2O4(aq)

test-eos.R....................   19 tests OK 
test-eos.R....................   19 tests OK 
test-eos.R....................   19 tests OK info.character: found SiO2(aq); also available in cr

test-eos.R....................   19 tests OK 
test-eos.R....................   19 tests OK mod.OBIGT: updated CO3-2(aq)
subcrt: 1 species at 25 ºC and 1 bar (wet) [energy units: J]
mod.OBIGT: updated BO2-(aq)
subcrt: 1 species at 25 ºC and 1 bar (wet) [energy units: J]
mod.OBIGT: updated MgCl+(aq)
subcrt: 1 species at 25 ºC and 1 bar (wet) [energy units: J]
mod.OBIGT: updated SiO2(aq)
info.character: found SiO2(aq); also available in cr
subcrt: 1 species at 25 ºC and 1 bar (wet) [energy units: J]
mod.OBIGT: updated HCO3-(aq)
subcrt: 1 species at 25 ºC and 1 bar (wet) [energy units: J]
mod.OBIGT: updated Si2O4(aq)
subcrt: 1 species at 25 ºC and 1 bar (wet) [energy units: J]

test-eos.R....................   19 tests OK 
test-eos.R....................   20 tests OK 0.3s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-equilibrate.R............    0 tests    
test-equilibrate.R............    0 tests    
test-equilibrate.R............    0 tests    
test-equilibrate.R............    0 tests    
test-equilibrate.R............    0 tests    
test-equilibrate.R............    0 tests    
test-equilibrate.R............    0 tests    
test-equilibrate.R............    0 tests    
test-equilibrate.R............    0 tests    
test-equilibrate.R............    0 tests    
test-equilibrate.R............    0 tests    balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 2
equilibrate: loga.balance is -2.69897000433602
equilibrate: using reaction method

test-equilibrate.R............    1 tests OK 
test-equilibrate.R............    2 tests OK 
test-equilibrate.R............    3 tests OK 
test-equilibrate.R............    4 tests OK 
test-equilibrate.R............    5 tests OK 
test-equilibrate.R............    6 tests OK 
test-equilibrate.R............    7 tests OK 
test-equilibrate.R............    8 tests OK 
test-equilibrate.R............    9 tests OK 
test-equilibrate.R............   10 tests OK balance: on moles of CO2 in formation reactions

test-equilibrate.R............   11 tests OK 
test-equilibrate.R............   12 tests OK 
test-equilibrate.R............   13 tests OK 
test-equilibrate.R............   14 tests OK 
test-equilibrate.R............   15 tests OK 
test-equilibrate.R............   15 tests OK balance: on moles of CO2 in formation reactions

test-equilibrate.R............   16 tests OK 
test-equilibrate.R............   16 tests OK 
test-equilibrate.R............   16 tests OK balance: on moles of CO2 in formation reactions

test-equilibrate.R............   17 tests OK 
test-equilibrate.R............   18 tests OK 
test-equilibrate.R............   18 tests OK balance: on protein length
equilibrate: n.balance is 129 153 124 104
equilibrate: loga.balance is -0.292429823902064
equilibrate: using 'normalize' for molar formulas
equilibrate: using boltzmann method

test-equilibrate.R............   18 tests OK balance: on protein length
equilibrate: n.balance is 129 153 124 104
equilibrate: loga.balance is -0.292429823902064
equilibrate: using reaction method

test-equilibrate.R............   18 tests OK 
test-equilibrate.R............   18 tests OK 
test-equilibrate.R............   18 tests OK 
test-equilibrate.R............   19 tests OK 
test-equilibrate.R............   19 tests OK 
test-equilibrate.R............   19 tests OK 
test-equilibrate.R............   19 tests OK 
test-equilibrate.R............   19 tests OK 
test-equilibrate.R............   19 tests OK 
test-equilibrate.R............   19 tests OK affinity: temperature is 325 ºC
affinity: pressure is 350 bar
subcrt: 17 species at 325 ºC and 350 bar (wet) [energy units: J]

test-equilibrate.R............   19 tests OK balance: on moles of H2S in formation reactions
equilibrate: n.balance is 1 2 3 2 2 3 5 2 1 1 1
equilibrate: loga.balance is -2
equilibrate: using reaction method

test-equilibrate.R............   19 tests OK 
test-equilibrate.R............   19 tests OK 
test-equilibrate.R............   20 tests OK 
test-equilibrate.R............   20 tests OK 
test-equilibrate.R............   20 tests OK 
test-equilibrate.R............   21 tests OK 
test-equilibrate.R............   21 tests OK 
test-equilibrate.R............   22 tests OK 
test-equilibrate.R............   22 tests OK 
test-equilibrate.R............   23 tests OK 
test-equilibrate.R............   23 tests OK 
test-equilibrate.R............   23 tests OK 
test-equilibrate.R............   23 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-equilibrate.R............   23 tests OK 
test-equilibrate.R............   24 tests OK 
test-equilibrate.R............   25 tests OK 
test-equilibrate.R............   26 tests OK 
test-equilibrate.R............   27 tests OK 
test-equilibrate.R............   27 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-equilibrate.R............   27 tests OK 
test-equilibrate.R............   28 tests OK 
test-equilibrate.R............   29 tests OK 
test-equilibrate.R............   29 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-equilibrate.R............   29 tests OK 
test-equilibrate.R............   30 tests OK balance: on supplied numeric argument (1.000001)
equilibrate: n.balance is 1.000001 1.000001 1.000001
equilibrate: loga.balance is -2.52287831098607
equilibrate: using boltzmann method

test-equilibrate.R............   31 tests OK 
test-equilibrate.R............   31 tests OK 
test-equilibrate.R............   31 tests OK 
test-equilibrate.R............   31 tests OK 
test-equilibrate.R............   31 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-equilibrate.R............   31 tests OK balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 1 2 3
equilibrate: loga.balance is -6
equilibrate: using reaction method

test-equilibrate.R............   31 tests OK 
test-equilibrate.R............   31 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-equilibrate.R............   31 tests OK balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 1 2 3
equilibrate: loga.balance is -8
equilibrate: using reaction method

test-equilibrate.R............   31 tests OK 
test-equilibrate.R............   31 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is log10(f_O2) at 21 values from -80 to -60
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-equilibrate.R............   31 tests OK balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 1 2 3
equilibrate: loga.balance is -6
equilibrate: using reaction method

test-equilibrate.R............   31 tests OK 
test-equilibrate.R............   32 tests OK balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 1 2 3
equilibrate: loga.balance is -8
equilibrate: using reaction method

test-equilibrate.R............   32 tests OK 
test-equilibrate.R............   33 tests OK 
test-equilibrate.R............   33 tests OK balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 1 2 3

test-equilibrate.R............   34 tests OK 
test-equilibrate.R............   34 tests OK balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 1 2 3
equilibrate: loga.balance has same length as affinity values (21)
equilibrate: using reaction method

test-equilibrate.R............   34 tests OK 
test-equilibrate.R............   35 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK affinity: temperature is 150 ºC
affinity: pressure is 830 bar
subcrt: 16 species at 150 ºC and 830 bar (wet) [energy units: J]
subcrt: showing G for hexane(liq) above its stability limit of 341.89 K (use exceed.Ttr = FALSE to prevent this)
subcrt: showing G for heptane(liq) above its stability limit of 371.57 K (use exceed.Ttr = FALSE to prevent this)
subcrt: showing G for octane(liq) above its stability limit of 398.82 K (use exceed.Ttr = FALSE to prevent this)
subcrt: showing G for 2-methylpentane(liq) above its stability limit of 333.42 K (use exceed.Ttr = FALSE to prevent this)
subcrt: showing G for 2-methylhexane(liq) above its stability limit of 363.2 K (use exceed.Ttr = FALSE to prevent this)
subcrt: showing G for 2-methylheptane(liq) above its stability limit of 390.8 K (use exceed.Ttr = FALSE to prevent this)
subcrt: showing G for 2-methyloctane(liq) above its stability limit of 416.31 K (use exceed.Ttr = FALSE to prevent this)

test-equilibrate.R............   36 tests OK balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 6 7 8 9 10 11 12 6 7 8 9
equilibrate: loga.balance is 1.96848294855394
equilibrate: using reaction method

test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 6 7 8 9 10 11 12 6 7 8 9
equilibrate: loga.balance is 1.96848294855394
equilibrate: using 'normalize' for molar formulas
equilibrate: using boltzmann method

test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK balance: on moles of CO2 in formation reactions
equilibrate: n.balance is 6 7 8 9 10 11 12 6 7 8 9
equilibrate: loga.balance is 1.96848294855394
equilibrate: using 'normalize' for molar formulas
equilibrate: using reaction method

test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   36 tests OK 
test-equilibrate.R............   37 tests OK 
test-equilibrate.R............   37 tests OK 
test-equilibrate.R............   37 tests OK 
test-equilibrate.R............   38 tests OK 
test-equilibrate.R............   39 tests OK 
test-equilibrate.R............   39 tests OK 
test-equilibrate.R............   39 tests OK 
test-equilibrate.R............   39 tests OK 
test-equilibrate.R............   39 tests OK 
test-equilibrate.R............   39 tests OK 
test-equilibrate.R............   39 tests OK 
test-equilibrate.R............   39 tests OK 
test-equilibrate.R............   39 tests OK affinity: temperature is 325 ºC
affinity: pressure is 500 bar
affinity: variable 1 is log10(a_Cl-) at 200 values from -3 to 0
affinity: variable 2 is log10(a_HS-) at 200 values from -10 to 0
subcrt: 15 species at 325 ºC and 500 bar (wet) [energy units: J]
subcrt: 3 polymorphs for chalcocite ... polymorph 2 is stable

test-equilibrate.R............   39 tests OK balance: on moles of Cu+ in formation reactions
diagram: using maximum affinity method for 2-D diagram

test-equilibrate.R............   39 tests OK balance: on moles of Cu+ in formation reactions
balance: on moles of Cu+ in formation reactions
diagram: using maximum affinity method for 2-D diagram
equilibrate: using 7 of 9 species
equilibrate: n.balance is 1 1 1 1 1 1 1
equilibrate: loga.balance is -2.15490195998574
equilibrate: using boltzmann method

test-equilibrate.R............   39 tests OK 
test-equilibrate.R............   39 tests OK 
test-equilibrate.R............   40 tests OK 
test-equilibrate.R............   40 tests OK affinity: temperature is 325 ºC
affinity: pressure is 500 bar
affinity: variable 1 is log10(a_Cl-) at 200 values from -3 to 0
affinity: variable 2 is log10(a_HS-) at 200 values from -10 to 0
subcrt: 8 species at 325 ºC and 500 bar (wet) [energy units: J]
subcrt: 3 polymorphs for chalcocite ... polymorph 2 is stable

test-equilibrate.R............   40 tests OK balance: on moles of Cu+ in formation reactions
balance: on moles of Cu+ in formation reactions
diagram: using maximum affinity method for 2-D diagram

test-equilibrate.R............   40 tests OK 
test-equilibrate.R............   41 tests OK 1.2s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-info.R...................    0 tests    
test-info.R...................    0 tests    info.character: requested state 'cr' for acetate but only 'aq' is available

test-info.R...................    1 tests OK 
test-info.R...................    2 tests OK 
test-info.R...................    3 tests OK 
test-info.R...................    4 tests OK 
test-info.R...................    5 tests OK 
test-info.R...................    6 tests OK 
test-info.R...................    7 tests OK 
test-info.R...................    7 tests OK 
test-info.R...................    8 tests OK 
test-info.R...................    8 tests OK 
test-info.R...................    9 tests OK info.character: found MgSO4(aq); also available in cr

test-info.R...................    9 tests OK 
test-info.R...................   10 tests OK 
test-info.R...................   10 tests OK 
test-info.R...................   11 tests OK 
test-info.R...................   12 tests OK 
test-info.R...................   13 tests OK 
test-info.R...................   14 tests OK 
test-info.R...................   14 tests OK protein.OBIGT: found LYSC_CHICK (C613H959N193O185S10, 129 residues)
protein.OBIGT: found LYSC_CHICK (C613H959N193O185S10, 129 residues)

test-info.R...................   14 tests OK 
test-info.R...................   15 tests OK check.GHS: calculated ΔG°f of LYSC_CHICK(cr) differs by 1332 cal mol-1 from database value
check.GHS: calculated ΔG°f of LYSC_CHICK(cr) differs by 1332 cal mol-1 from database value
check.GHS: calculated ΔG°f of LYSC_CHICK(aq) differs by -23860 cal mol-1 from database value

test-info.R...................   16 tests OK 
test-info.R...................   16 tests OK mod.OBIGT: updated CO2(aq)

test-info.R...................   16 tests OK 
test-info.R...................   16 tests OK 
test-info.R...................   17 tests OK 
test-info.R...................   18 tests OK 
test-info.R...................   19 tests OK 
test-info.R...................   19 tests OK subcrt: 1 species at 25 ºC and 1 bar [energy units: J]

test-info.R...................   19 tests OK 
test-info.R...................   19 tests OK 
test-info.R...................   20 tests OK 
test-info.R...................   21 tests OK 
test-info.R...................   22 tests OK 
test-info.R...................   23 tests OK 
test-info.R...................   24 tests OK 0.3s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-ionize.aa.R..............    0 tests    
test-ionize.aa.R..............    0 tests    
test-ionize.aa.R..............    2 tests OK 
test-ionize.aa.R..............    3 tests OK 
test-ionize.aa.R..............    4 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............    4 tests OK 
test-ionize.aa.R..............    5 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............    5 tests OK 
test-ionize.aa.R..............    6 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............    6 tests OK 
test-ionize.aa.R..............    7 tests OK 
test-ionize.aa.R..............    7 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]
subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............    8 tests OK 
test-ionize.aa.R..............    8 tests OK 
test-ionize.aa.R..............    8 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............    8 tests OK 
test-ionize.aa.R..............    9 tests OK 
test-ionize.aa.R..............   10 tests OK 
test-ionize.aa.R..............   10 tests OK 
test-ionize.aa.R..............   10 tests OK 
test-ionize.aa.R..............   10 tests OK 
test-ionize.aa.R..............   10 tests OK 
test-ionize.aa.R..............   10 tests OK 
test-ionize.aa.R..............   10 tests OK 
test-ionize.aa.R..............   10 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............   11 tests OK subcrt: 18 species at 100 ºC and 1.01 bar (wet) [energy units: J]

test-ionize.aa.R..............   12 tests OK subcrt: 18 species at 150 ºC and 4.76 bar (wet) [energy units: J]

test-ionize.aa.R..............   13 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............   14 tests OK 
test-ionize.aa.R..............   14 tests OK 
test-ionize.aa.R..............   14 tests OK 
test-ionize.aa.R..............   14 tests OK 
test-ionize.aa.R..............   14 tests OK 
test-ionize.aa.R..............   14 tests OK subcrt: 18 species at 5 values of T (ºC) and P (bar) (wet) [energy units: J]

test-ionize.aa.R..............   14 tests OK subcrt: 18 species at 5 values of T (ºC) and P (bar) (wet) [energy units: J]

test-ionize.aa.R..............   14 tests OK 
test-ionize.aa.R..............   15 tests OK 
test-ionize.aa.R..............   16 tests OK 
test-ionize.aa.R..............   16 tests OK 
test-ionize.aa.R..............   16 tests OK 
test-ionize.aa.R..............   16 tests OK mod.OBIGT: updated [Met](aq)

test-ionize.aa.R..............   16 tests OK mod.OBIGT: updated [Gly](aq)

test-ionize.aa.R..............   16 tests OK mod.OBIGT: updated [UPBB](aq)

test-ionize.aa.R..............   16 tests OK protein.OBIGT: found AMY_BACSU (C3006H4584N850O965S11, 619 residues)
subcrt: 1 species at 2 values of T (ºC) and P (bar) (wet) [energy units: J]

test-ionize.aa.R..............   16 tests OK 
test-ionize.aa.R..............   16 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............   16 tests OK subcrt: 18 species at 100 ºC and 1.01 bar (wet) [energy units: J]

test-ionize.aa.R..............   16 tests OK 
test-ionize.aa.R..............   17 tests OK 
test-ionize.aa.R..............   18 tests OK 
test-ionize.aa.R..............   18 tests OK info.character: found [Cys](aq); also available in cr
subcrt: 3 species at 2 values of T (ºC) and P (bar) (wet) [energy units: J]

test-ionize.aa.R..............   18 tests OK 
test-ionize.aa.R..............   18 tests OK info.character: found [His](aq); also available in cr
subcrt: 3 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............   18 tests OK 
test-ionize.aa.R..............   18 tests OK subcrt: 18 species at 2 values of T (ºC) and P (bar) (wet) [energy units: J]

test-ionize.aa.R..............   18 tests OK 
test-ionize.aa.R..............   18 tests OK 
test-ionize.aa.R..............   19 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............   19 tests OK 
test-ionize.aa.R..............   19 tests OK 
test-ionize.aa.R..............   20 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............   20 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............   20 tests OK 
test-ionize.aa.R..............   20 tests OK 
test-ionize.aa.R..............   20 tests OK 
test-ionize.aa.R..............   20 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............   21 tests OK 
test-ionize.aa.R..............   21 tests OK changed energy units to cal

test-ionize.aa.R..............   21 tests OK 
test-ionize.aa.R..............   21 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 27 species at 25 ºC and 1 bar (wet) [energy units: cal]
affinity: ionizing proteins ...
subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: cal]

test-ionize.aa.R..............   21 tests OK changed energy units to J

test-ionize.aa.R..............   21 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 27 species at 25 ºC and 1 bar (wet) [energy units: J]
affinity: ionizing proteins ...
subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-ionize.aa.R..............   21 tests OK 
test-ionize.aa.R..............   22 tests OK 
test-ionize.aa.R..............   22 tests OK 
test-ionize.aa.R..............   22 tests OK 
test-ionize.aa.R..............   23 tests OK 
test-ionize.aa.R..............   23 tests OK 
test-ionize.aa.R..............   24 tests OK 1.8s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-ionize.aa_pK.R...........    0 tests    
test-ionize.aa_pK.R...........    0 tests    
test-ionize.aa_pK.R...........    0 tests    subcrt: 18 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]

test-ionize.aa_pK.R...........    0 tests    
test-ionize.aa_pK.R...........    1 tests OK 
test-ionize.aa_pK.R...........    2 tests OK 
test-ionize.aa_pK.R...........    3 tests OK 
test-ionize.aa_pK.R...........    4 tests OK 
test-ionize.aa_pK.R...........    5 tests OK 
test-ionize.aa_pK.R...........    6 tests OK 
test-ionize.aa_pK.R...........    7 tests OK 
test-ionize.aa_pK.R...........    8 tests OK 
test-ionize.aa_pK.R...........    9 tests OK 
test-ionize.aa_pK.R...........    9 tests OK 
test-ionize.aa_pK.R...........    9 tests OK 
test-ionize.aa_pK.R...........    9 tests OK 
test-ionize.aa_pK.R...........    9 tests OK subcrt: 18 species at 11 values of T (ºC) and P (bar) (wet) [energy units: J]

test-ionize.aa_pK.R...........    9 tests OK 
test-ionize.aa_pK.R...........   10 tests OK 0.2s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-logmolality.R............    0 tests    
test-logmolality.R............    0 tests    
test-logmolality.R............    0 tests    
test-logmolality.R............    0 tests    info.character: found CO2(aq); also available in gas
subcrt: 3 species at 25 ºC and 1 bar (wet) [energy units: J]

test-logmolality.R............    0 tests    nonideal: calculations for HCO3- (Bdot equation)
nonideal: calculations for CO2 (Setchenow equation)

test-logmolality.R............    0 tests    
test-logmolality.R............    1 tests OK info.character: found CO2(aq); also available in gas
subcrt: 3 species at 25 ºC and 1 bar (wet) [energy units: J]
nonideal: calculations for HCO3- (Bdot equation)
nonideal: calculations for CO2 (Setchenow equation)

test-logmolality.R............    1 tests OK 
test-logmolality.R............    1 tests OK 
test-logmolality.R............    1 tests OK 
test-logmolality.R............    2 tests OK 
test-logmolality.R............    3 tests OK info.character: found CO2(aq); also available in gas
subcrt: 3 species at 25 ºC and 1 bar (wet) [energy units: J]

test-logmolality.R............    3 tests OK 
test-logmolality.R............    4 tests OK 
test-logmolality.R............    5 tests OK info.character: found CO2(aq); also available in gas
info.character: found H2O(liq) [water]; also available in cr
subcrt: 4 species at 25 ºC and 1 bar (wet) [energy units: J]

test-logmolality.R............    5 tests OK 
test-logmolality.R............    6 tests OK 
test-logmolality.R............    6 tests OK 
test-logmolality.R............    6 tests OK info.character: found CO2(aq); also available in gas
info.character: found H2O(liq) [water]; also available in cr
subcrt: 4 species at 25 ºC and 1 bar (wet) [energy units: J]

test-logmolality.R............    6 tests OK 
test-logmolality.R............    7 tests OK 
test-logmolality.R............    7 tests OK 
test-logmolality.R............    7 tests OK 
test-logmolality.R............    7 tests OK 
test-logmolality.R............    7 tests OK info.character: found CO2(aq); also available in gas
info.character: found H2O(liq) [water]; also available in cr
subcrt: 4 species at 25 ºC and 1 bar (wet) [energy units: J]
nonideal: calculations for HCO3- (Bdot equation)
nonideal: calculations for CO2 (Setchenow equation)

test-logmolality.R............    7 tests OK 
test-logmolality.R............    8 tests OK 
test-logmolality.R............    8 tests OK 
test-logmolality.R............    8 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-logmolality.R............    8 tests OK 
test-logmolality.R............    8 tests OK 
test-logmolality.R............    9 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: ionic strength is 1
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]
nonideal: calculations for HCO3- (Bdot equation)
nonideal: calculations for CO2, NH3, H2S, CO2 (Setchenow equation)

test-logmolality.R............    9 tests OK 
test-logmolality.R............    9 tests OK 
test-logmolality.R............   10 tests OK subcrt: 6 species at 25 ºC and 1 bar (wet) [energy units: J]
subcrt: 6 species at 25 ºC and 1 bar (wet) [energy units: J]

test-logmolality.R............   10 tests OK 
test-logmolality.R............   10 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-logmolality.R............   10 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: ionic strength is 1
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]
nonideal: calculations for HCO3-, HCO3- (Bdot equation)
nonideal: calculations for NH3, H2S, CO2 (Setchenow equation)

test-logmolality.R............   10 tests OK 
test-logmolality.R............   11 tests OK 
test-logmolality.R............   12 tests OK 
test-logmolality.R............   12 tests OK 
test-logmolality.R............   12 tests OK 
test-logmolality.R............   12 tests OK 
test-logmolality.R............   12 tests OK 
test-logmolality.R............   12 tests OK 
test-logmolality.R............   12 tests OK 
test-logmolality.R............   12 tests OK 
test-logmolality.R............   13 tests OK 
test-logmolality.R............   14 tests OK balance: on moles of HCO3- in formation reactions
equilibrate: n.balance is 1 1
equilibrate: loga.balance is -2.69897000433602
equilibrate: using boltzmann method

test-logmolality.R............   14 tests OK balance: on moles of HCO3- in formation reactions
equilibrate: n.balance is 1 1
equilibrate: loga.balance is -2.69897000433602
equilibrate: using boltzmann method

test-logmolality.R............   14 tests OK 
test-logmolality.R............   14 tests OK 
test-logmolality.R............   14 tests OK 
test-logmolality.R............   14 tests OK 
test-logmolality.R............   14 tests OK 
test-logmolality.R............   15 tests OK 
test-logmolality.R............   15 tests OK 
test-logmolality.R............   15 tests OK 
test-logmolality.R............   15 tests OK 
test-logmolality.R............   15 tests OK 
test-logmolality.R............   16 tests OK 
test-logmolality.R............   16 tests OK 
test-logmolality.R............   16 tests OK 
test-logmolality.R............   17 tests OK 0.5s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-makeup.R.................    0 tests    
test-makeup.R.................    0 tests    
test-makeup.R.................    1 tests OK 
test-makeup.R.................    1 tests OK 
test-makeup.R.................    2 tests OK 
test-makeup.R.................    3 tests OK 
test-makeup.R.................    4 tests OK 
test-makeup.R.................    5 tests OK 
test-makeup.R.................    5 tests OK 
test-makeup.R.................    6 tests OK 
test-makeup.R.................    7 tests OK 
test-makeup.R.................    8 tests OK 
test-makeup.R.................    8 tests OK 
test-makeup.R.................    9 tests OK 
test-makeup.R.................    9 tests OK 
test-makeup.R.................   10 tests OK 
test-makeup.R.................   11 tests OK 
test-makeup.R.................   12 tests OK 
test-makeup.R.................   12 tests OK 
test-makeup.R.................   13 tests OK 
test-makeup.R.................   13 tests OK 
test-makeup.R.................   13 tests OK 
test-makeup.R.................   13 tests OK 
test-makeup.R.................   14 tests OK 
test-makeup.R.................   14 tests OK 
test-makeup.R.................   15 tests OK 
test-makeup.R.................   16 tests OK 
test-makeup.R.................   16 tests OK 
test-makeup.R.................   17 tests OK 
test-makeup.R.................   18 tests OK 
test-makeup.R.................   18 tests OK info.character: found CH4(aq); also available in gas, liq

test-makeup.R.................   19 tests OK 
test-makeup.R.................   20 tests OK 
test-makeup.R.................   20 tests OK 
test-makeup.R.................   20 tests OK 
test-makeup.R.................   20 tests OK 
test-makeup.R.................   20 tests OK 
test-makeup.R.................   21 tests OK 
test-makeup.R.................   22 tests OK 
test-makeup.R.................   22 tests OK 
test-makeup.R.................   22 tests OK 
test-makeup.R.................   23 tests OK 0.3s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    info.character: found iron(cr) with 3 polymorphic transitions

test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    affinity: temperature is 300 ºC
affinity: pressure is Psat
affinity: variable 1 is pH at 50 values from 0 to 7
affinity: variable 2 is Eh at 50 values from -1 to 1 V
subcrt: 12 species at 300 ºC and 85.84 bar (wet) [energy units: J]
subcrt: 4 polymorphs for iron ... polymorph 1 is stable
subcrt: 4 polymorphs for iron ... polymorph 1 is stable

test-mix.R....................    0 tests    balance: on moles of Fe in formation reactions
diagram: using maximum affinity method for 2-D diagram

test-mix.R....................    0 tests    
test-mix.R....................    0 tests    affinity: temperature is 300 ºC
affinity: pressure is Psat
affinity: variable 1 is pH at 50 values from 0 to 7
affinity: variable 2 is Eh at 50 values from -1 to 1 V
subcrt: 11 species at 300 ºC and 85.84 bar (wet) [energy units: J]
subcrt: 4 polymorphs for iron ... polymorph 1 is stable

test-mix.R....................    0 tests    balance: on moles of Cu in formation reactions
diagram: using maximum affinity method for 2-D diagram

test-mix.R....................    0 tests    
test-mix.R....................    0 tests    balance: on moles of Cu in formation reactions
diagram: using maximum affinity method for 2-D diagram

test-mix.R....................    0 tests    
test-mix.R....................    0 tests    affinity: temperature is 300 ºC
affinity: pressure is Psat
affinity: variable 1 is pH at 50 values from 0 to 7
affinity: variable 2 is Eh at 50 values from -1 to 1 V
subcrt: 7 species at 300 ºC and 85.84 bar (wet) [energy units: J]
subcrt: 4 polymorphs for iron ... polymorph 1 is stable
subcrt: 3 polymorphs for bornite ... polymorph 3 is stable

test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    0 tests    info.character: found iron(cr) with 3 polymorphic transitions
affinity: temperature is 300 ºC
affinity: pressure is Psat
affinity: variable 1 is pH at 50 values from 0 to 7
affinity: variable 2 is Eh at 50 values from -1 to 1 V
subcrt: 18 species at 300 ºC and 85.84 bar (wet) [energy units: J]
subcrt: 4 polymorphs for iron ... polymorph 1 is stable
subcrt: 3 polymorphs for bornite ... polymorph 3 is stable
subcrt: 4 polymorphs for iron ... polymorph 1 is stable
mosaic: calculating affinities of basis species group 1: iron ferrous-oxide magnetite hematite Fe+2 FeOH+
mosaic: calculating affinities of basis species group 2: copper cuprite tenorite Cu+ CuOH
mosaic: calculating affinities of species for all 30 combinations of the basis species
balance: on moles of Fe in formation reactions
diagram: using maximum affinity method for 2-D diagram
balance: on moles of Cu in formation reactions
diagram: using maximum affinity method for 2-D diagram

test-mix.R....................    0 tests    
test-mix.R....................    0 tests    
test-mix.R....................    1 tests OK 1.1s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-mod.OBIGT.R..............    0 tests    
test-mod.OBIGT.R..............    0 tests    
test-mod.OBIGT.R..............    1 tests OK 
test-mod.OBIGT.R..............    3 tests OK 
test-mod.OBIGT.R..............    4 tests OK subcrt: 1 species at 15 values of T (ºC) and P (bar) (wet) [energy units: J]

test-mod.OBIGT.R..............    5 tests OK mod.OBIGT: updated test(aq)

test-mod.OBIGT.R..............    5 tests OK subcrt: 1 species at 25 ºC and 1 bar (wet) [energy units: J]

test-mod.OBIGT.R..............    6 tests OK mod.OBIGT: updated test(aq)
subcrt: 1 species at 15 values of T (ºC) and P (bar) (wet) [energy units: J]

test-mod.OBIGT.R..............    6 tests OK mod.OBIGT: updated test(aq)
subcrt: 1 species at 15 values of T (ºC) and P (bar) (wet) [energy units: J]

test-mod.OBIGT.R..............    6 tests OK 
test-mod.OBIGT.R..............    7 tests OK 
test-mod.OBIGT.R..............    7 tests OK info.character: found CH4(aq); also available in gas, liq

test-mod.OBIGT.R..............    7 tests OK mod.OBIGT: updated CH4(aq)

test-mod.OBIGT.R..............    7 tests OK 
test-mod.OBIGT.R..............    8 tests OK check.EOS: calculated Cp° of methane(aq) differs by -2.61 cal K-1 mol-1 from database value

test-mod.OBIGT.R..............    9 tests OK 
test-mod.OBIGT.R..............    9 tests OK mod.OBIGT: added X(aq) with HKF model and energy units of J
mod.OBIGT: added Y(cr) with CGL model and energy units of J

test-mod.OBIGT.R..............    9 tests OK 
test-mod.OBIGT.R..............   10 tests OK 0.2s

test-mosaic.R.................    0 tests    4ms [Exited at #5: Skipping long test]
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-nonideal.R...............    0 tests    
test-nonideal.R...............    0 tests    nonideal: setting nonideal option to use Alberty equation

test-nonideal.R...............    0 tests    subcrt: 3 species at 25 ºC and 1 bar (wet) [energy units: J]

test-nonideal.R...............    0 tests    subcrt: 3 species at 25 ºC and 1 bar (wet) [energy units: J]
nonideal: calculations for Ca+2, SO4-2 (Alberty equation)

test-nonideal.R...............    0 tests    
test-nonideal.R...............    1 tests OK nonideal: setting nonideal option to use Bdot equation

test-nonideal.R...............    1 tests OK 
test-nonideal.R...............    1 tests OK 
test-nonideal.R...............    1 tests OK 
test-nonideal.R...............    1 tests OK 
test-nonideal.R...............    1 tests OK 
test-nonideal.R...............    1 tests OK 
test-nonideal.R...............    1 tests OK water.IAPWS95: calculating 6 values for rho A_DH B_DH

test-nonideal.R...............    1 tests OK 
test-nonideal.R...............    2 tests OK 
test-nonideal.R...............    3 tests OK 
test-nonideal.R...............    4 tests OK 
test-nonideal.R...............    5 tests OK 
test-nonideal.R...............    5 tests OK 
test-nonideal.R...............    5 tests OK 
test-nonideal.R...............    5 tests OK 
test-nonideal.R...............    5 tests OK water.IAPWS95: calculating 11 values for rho A_DH B_DH

test-nonideal.R...............    5 tests OK water.DEW: using SUPCRT calculations for 1 low-T or low-P condition(s)

test-nonideal.R...............    5 tests OK 
test-nonideal.R...............    6 tests OK 
test-nonideal.R...............    7 tests OK 
test-nonideal.R...............    8 tests OK 
test-nonideal.R...............    9 tests OK 
test-nonideal.R...............   10 tests OK 
test-nonideal.R...............   11 tests OK 
test-nonideal.R...............   11 tests OK 
test-nonideal.R...............   11 tests OK 
test-nonideal.R...............   11 tests OK 
test-nonideal.R...............   11 tests OK 
test-nonideal.R...............   12 tests OK 
test-nonideal.R...............   13 tests OK 
test-nonideal.R...............   13 tests OK 
test-nonideal.R...............   13 tests OK 
test-nonideal.R...............   13 tests OK 
test-nonideal.R...............   13 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 7 species at 25 ºC and 1 bar (wet) [energy units: J]

test-nonideal.R...............   13 tests OK 
test-nonideal.R...............   13 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: ionic strength is 1
subcrt: 7 species at 25 ºC and 1 bar (wet) [energy units: J]
nonideal: calculations for C2H3O2- (Bdot equation)
nonideal: calculations for CO2, NH3, H2S (Setchenow equation)

test-nonideal.R...............   13 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is log10(f_O2) at 4 values from -80 to -60
affinity: variable 2 is IS at 4 values from 0 to 1
subcrt: 7 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for C2H3O2- (Bdot equation)
nonideal: calculations for CO2, NH3, H2S (Setchenow equation)

test-nonideal.R...............   13 tests OK 
test-nonideal.R...............   14 tests OK 
test-nonideal.R...............   15 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 7 species at 25 ºC and 1 bar (wet) [energy units: J]

test-nonideal.R...............   15 tests OK affinity: temperature is 50 ºC
affinity: pressure is Psat
affinity: ionic strength is 1
subcrt: 7 species at 50 ºC and 1 bar (wet) [energy units: J]
nonideal: calculations for C2H3O2- (Bdot equation)
nonideal: calculations for CO2, NH3, H2S (Setchenow equation)

test-nonideal.R...............   15 tests OK affinity: pressure is Psat
affinity: variable 1 is T at 4 values from 298.15 to 323.15 K
affinity: variable 2 is IS at 4 values from 0 to 1
subcrt: 7 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for C2H3O2- (Bdot equation)
nonideal: calculations for CO2, NH3, H2S (Setchenow equation)

test-nonideal.R...............   15 tests OK 
test-nonideal.R...............   16 tests OK 
test-nonideal.R...............   17 tests OK 
test-nonideal.R...............   17 tests OK subcrt: 3 species at 200 ºC and 16 bar (wet) [energy units: J]
nonideal: calculations for Zn+2, Cl-, ZnCl+ (Bdot equation)

test-nonideal.R...............   18 tests OK 
test-nonideal.R...............   18 tests OK 
test-nonideal.R...............   18 tests OK 
test-nonideal.R...............   18 tests OK 
test-nonideal.R...............   18 tests OK 
test-nonideal.R...............   18 tests OK subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for Cl- (Bdot equation)

test-nonideal.R...............   18 tests OK subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for Cl- (Bdot equation)

test-nonideal.R...............   18 tests OK subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for Cl- (Bdot equation)

test-nonideal.R...............   18 tests OK 
test-nonideal.R...............   19 tests OK 
test-nonideal.R...............   20 tests OK 
test-nonideal.R...............   21 tests OK subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for Na+ (Bdot equation)

test-nonideal.R...............   21 tests OK subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for Na+ (Bdot equation)

test-nonideal.R...............   21 tests OK subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for Na+ (Bdot equation)

test-nonideal.R...............   21 tests OK 
test-nonideal.R...............   22 tests OK 
test-nonideal.R...............   23 tests OK 
test-nonideal.R...............   24 tests OK info.character: found NaCl(aq); also available in cr
subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for NaCl (Setchenow equation)

test-nonideal.R...............   24 tests OK info.character: found NaCl(aq); also available in cr
subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for NaCl (Setchenow equation)

test-nonideal.R...............   24 tests OK info.character: found NaCl(aq); also available in cr
subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for NaCl (Setchenow equation)

test-nonideal.R...............   24 tests OK 
test-nonideal.R...............   25 tests OK 
test-nonideal.R...............   26 tests OK 
test-nonideal.R...............   27 tests OK 
test-nonideal.R...............   27 tests OK nonideal: setting nonideal option to use Alberty equation

test-nonideal.R...............   27 tests OK 
test-nonideal.R...............   27 tests OK subcrt: 1 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]

test-nonideal.R...............   27 tests OK subcrt: 1 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for Na+ (Alberty equation)

test-nonideal.R...............   27 tests OK 
test-nonideal.R...............   27 tests OK 
test-nonideal.R...............   27 tests OK 
test-nonideal.R...............   28 tests OK 
test-nonideal.R...............   28 tests OK subcrt: 1 species at 50 ºC and 1 bar (wet) [energy units: J]

test-nonideal.R...............   28 tests OK subcrt: 1 species at 2 values of T (ºC) and P (bar) (wet) [energy units: J]

test-nonideal.R...............   28 tests OK 
test-nonideal.R...............   29 tests OK subcrt: 1 species at 50 ºC and 1 bar (wet) [energy units: J]
nonideal: calculations for Na+ (Alberty equation)

test-nonideal.R...............   29 tests OK subcrt: 1 species at 2 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for Na+ (Alberty equation)

test-nonideal.R...............   29 tests OK 
test-nonideal.R...............   30 tests OK 
test-nonideal.R...............   30 tests OK 
test-nonideal.R...............   30 tests OK 
test-nonideal.R...............   30 tests OK 
test-nonideal.R...............   30 tests OK 
test-nonideal.R...............   30 tests OK subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]

test-nonideal.R...............   30 tests OK subcrt: 1 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for Na+ (Alberty equation)

test-nonideal.R...............   30 tests OK 
test-nonideal.R...............   30 tests OK 
test-nonideal.R...............   30 tests OK 
test-nonideal.R...............   31 tests OK 
test-nonideal.R...............   32 tests OK 
test-nonideal.R...............   33 tests OK 
test-nonideal.R...............   33 tests OK 
test-nonideal.R...............   33 tests OK 
test-nonideal.R...............   33 tests OK affinity: temperature is 250 ºC
affinity: pressure is Psat
affinity: variable 1 is IS at 6 values from 0 to 1
subcrt: 11 species at 6 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for HS-, HSO4-, SO4-2 (Alberty equation)
nonideal: calculations for CO2, NH3, H2S, H2S, SO2 (Setchenow equation)

test-nonideal.R...............   33 tests OK 
test-nonideal.R...............   34 tests OK affinity: pressure is Psat
affinity: variable 1 is IS at 6 values from 0 to 1
affinity: variable 2 is T at 5 values from 463.15 to 583.15 K
subcrt: 11 species at 5 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for HS-, HSO4-, SO4-2 (Alberty equation)
nonideal: calculations for CO2, NH3, H2S, H2S, SO2 (Setchenow equation)

test-nonideal.R...............   34 tests OK 
test-nonideal.R...............   35 tests OK affinity: pressure is Psat
affinity: variable 1 is T at 5 values from 463.15 to 583.15 K
affinity: variable 2 is IS at 6 values from 0 to 1
subcrt: 11 species at 5 values of T (ºC) and P (bar) (wet) [energy units: J]
nonideal: calculations for HS-, HSO4-, SO4-2 (Alberty equation)
nonideal: calculations for CO2, NH3, H2S, H2S, SO2 (Setchenow equation)

test-nonideal.R...............   35 tests OK 
test-nonideal.R...............   36 tests OK 1.0s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-protein.info.R...........    0 tests    
test-protein.info.R...........    0 tests    
test-protein.info.R...........    1 tests OK 
test-protein.info.R...........    1 tests OK 
test-protein.info.R...........    2 tests OK 
test-protein.info.R...........    2 tests OK 
test-protein.info.R...........    3 tests OK 
test-protein.info.R...........    3 tests OK 
test-protein.info.R...........    3 tests OK mod.OBIGT: updated [Met](aq)

test-protein.info.R...........    3 tests OK mod.OBIGT: updated [Gly](aq)

test-protein.info.R...........    3 tests OK mod.OBIGT: updated [UPBB](aq)

test-protein.info.R...........    3 tests OK 
test-protein.info.R...........    3 tests OK 
test-protein.info.R...........    3 tests OK protein.equil: temperature from argument is 25 degrees C
protein.equil: energy units is J
protein.equil: pH from thermo$basis is 7
protein.equil: [Met] is from reference DLH06
protein.equil [1]: first protein is CSG_METVO with length 553
protein.equil [1]: reaction to form nonionized protein from basis species has G0(J/mol) of -199100000
protein.equil [1]: ionization reaction of protein has G0(J/mol) of -400900
protein.equil [1]: per residue, reaction to form ionized protein from basis species has G0/RT of -145.5
protein.equil [1]: per residue, logQstar is 63
protein.equil [1]: per residue, Astar/RT = -G0/RT - 2.303logQstar is 0.4377
check it!       per residue, Astar/RT calculated using affinity() is 0.4377
protein.equil [all]: lengths of all proteins are 553 530
protein.equil [all]: Astar/RT of all residue equivalents are 0.4377 1.367
protein.equil [all]: sum of exp(Astar/RT) of all residue equivalents is 5.472
protein.equil [all]: equilibrium degrees of formation (alphas) of residue equivalents are 0.2831 0.7169
check it!     alphas of residue equivalents from equilibrate() are 0.2831 0.7169
protein.equil [all]: for activity of proteins equal to 10^-3, total activity of residues is 10^0.03463
protein.equil [all]: log10 equilibrium activities of residue equivalents are -0.5134 -0.1099
protein.equil [all]: log10 equilibrium activities of proteins are -3.256 -2.834
check it!    log10 eq'm activities of proteins from equilibrate() are -3.256 -2.834

test-protein.info.R...........    3 tests OK 
test-protein.info.R...........    4 tests OK 
test-protein.info.R...........    5 tests OK 0.9s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-recalculate.R............    0 tests    
test-recalculate.R............    0 tests    info.character: found SiO2(aq); also available in cr

test-recalculate.R............    0 tests    
test-recalculate.R............    0 tests    
test-recalculate.R............    0 tests    
test-recalculate.R............    0 tests    add.OBIGT: read 172 rows; made 43 replacements, 129 additions [energy units: cal]

test-recalculate.R............    0 tests    
test-recalculate.R............    0 tests    
test-recalculate.R............    0 tests    
test-recalculate.R............    0 tests    
test-recalculate.R............    0 tests    
test-recalculate.R............    1 tests OK 0.1s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-retrieve.R...............    0 tests    
test-retrieve.R...............    0 tests    
test-retrieve.R...............    1 tests OK 
test-retrieve.R...............    1 tests OK 
test-retrieve.R...............    2 tests OK 
test-retrieve.R...............    3 tests OK add.OBIGT: read 177 rows; made 65 replacements, 112 additions [energy units: cal]

test-retrieve.R...............    3 tests OK 
test-retrieve.R...............    4 tests OK 
test-retrieve.R...............    4 tests OK 
test-retrieve.R...............    4 tests OK 
test-retrieve.R...............    4 tests OK 
test-retrieve.R...............    5 tests OK 0.4s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-solubility.R.............    0 tests    
test-solubility.R.............    0 tests    
test-solubility.R.............    0 tests    
test-solubility.R.............    0 tests    
test-solubility.R.............    0 tests    
test-solubility.R.............    0 tests    
test-solubility.R.............    0 tests    
test-solubility.R.............    0 tests    
test-solubility.R.............    0 tests    affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is pH at 100 values from 0 to 14
subcrt: 7 species at 25 ºC and 1 bar (wet) [energy units: J]

test-solubility.R.............    0 tests    balance: on moles of CO2 in formation reactions

test-solubility.R.............    0 tests    
test-solubility.R.............    0 tests    affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 7 species at 25 ºC and 1 bar (wet) [energy units: J]

test-solubility.R.............    1 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 7 species at 25 ºC and 1 bar (wet) [energy units: J]

test-solubility.R.............    2 tests OK 
test-solubility.R.............    2 tests OK 
test-solubility.R.............    2 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is pH at 100 values from 0 to 14
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-solubility.R.............    2 tests OK balance: on moles of CaCO3 in formation reactions

test-solubility.R.............    2 tests OK 
test-solubility.R.............    2 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-solubility.R.............    3 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-solubility.R.............    4 tests OK 
test-solubility.R.............    4 tests OK 
test-solubility.R.............    4 tests OK 
test-solubility.R.............    4 tests OK 
test-solubility.R.............    4 tests OK 
test-solubility.R.............    4 tests OK solubility: calculating for sulfur
balance: on moles of S2 in formation reactions

test-solubility.R.............    4 tests OK 
test-solubility.R.............    4 tests OK 
test-solubility.R.............    4 tests OK 
test-solubility.R.............    4 tests OK 
test-solubility.R.............    4 tests OK affinity: temperature is 125 ºC
affinity: pressure is Psat
affinity: variable 1 is log10(f_O2) at 256 values from -55 to -40
subcrt: 6 species at 125 ºC and 2.32 bar (wet) [energy units: J]

test-solubility.R.............    4 tests OK balance: on moles of S2 in formation reactions

test-solubility.R.............    4 tests OK 
test-solubility.R.............    4 tests OK 
test-solubility.R.............    4 tests OK 
test-solubility.R.............    5 tests OK 0.5s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-species.R................    0 tests    
test-species.R................    0 tests    
test-species.R................    1 tests OK 
test-species.R................    2 tests OK 
test-species.R................    2 tests OK 
test-species.R................    3 tests OK 
test-species.R................    4 tests OK 
test-species.R................    4 tests OK 
test-species.R................    4 tests OK 
test-species.R................    4 tests OK 
test-species.R................    4 tests OK 
test-species.R................    5 tests OK 
test-species.R................    6 tests OK 
test-species.R................    7 tests OK 
test-species.R................    7 tests OK 
test-species.R................    8 tests OK 
test-species.R................    8 tests OK 
test-species.R................    9 tests OK 
test-species.R................   10 tests OK 
test-species.R................   10 tests OK 
test-species.R................   11 tests OK 
test-species.R................   11 tests OK 
test-species.R................   11 tests OK 
test-species.R................   12 tests OK 
test-species.R................   12 tests OK 
test-species.R................   13 tests OK 
test-species.R................   14 tests OK 
test-species.R................   15 tests OK 
test-species.R................   16 tests OK info.character: found alanine(aq); also available in cr

test-species.R................   17 tests OK 
test-species.R................   18 tests OK 
test-species.R................   19 tests OK 
test-species.R................   20 tests OK 
test-species.R................   20 tests OK 
test-species.R................   20 tests OK 
test-species.R................   21 tests OK 
test-species.R................   22 tests OK 
test-species.R................   23 tests OK 
test-species.R................   24 tests OK 0.3s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-subcrt.R.................    0 tests    
test-subcrt.R.................    0 tests    
test-subcrt.R.................    0 tests    
test-subcrt.R.................    1 tests OK 
test-subcrt.R.................    1 tests OK info.character: found citric acid(aq); also available in cr
subcrt: 2 species at 15 values of T (ºC) and P (bar) (wet) [energy units: J]
subcrt: reaction is not balanced; it is missing this composition:
 C  H  O 
-2 -2 -2 
subcrt: adding missing composition from basis definition and restarting...
subcrt: 5 species at 15 values of T (ºC) and P (bar) (wet) [energy units: J]

test-subcrt.R.................    1 tests OK 
test-subcrt.R.................    2 tests OK 
test-subcrt.R.................    3 tests OK 
test-subcrt.R.................    3 tests OK 
test-subcrt.R.................    3 tests OK 
test-subcrt.R.................    3 tests OK info.character: found H2O(liq) [water]; also available in cr
subcrt: 3 species at 12 values of T (ºC) and P (bar) (wet) [energy units: J]

test-subcrt.R.................    3 tests OK 
test-subcrt.R.................    4 tests OK 
test-subcrt.R.................    4 tests OK subcrt: 3 species at 12 values of T (ºC) and P (bar) (wet) [energy units: J]

test-subcrt.R.................    4 tests OK 
test-subcrt.R.................    5 tests OK 
test-subcrt.R.................    5 tests OK subcrt: 6 species at 12 values of T (ºC) and P (bar) (wet) [energy units: J]
subcrt: 3 polymorphs for sulfur ... polymorphs 1,2,3 are stable

test-subcrt.R.................    5 tests OK 
test-subcrt.R.................    5 tests OK 
test-subcrt.R.................    6 tests OK 
test-subcrt.R.................    7 tests OK 
test-subcrt.R.................    7 tests OK water: setting water model to IAPWS95

test-subcrt.R.................    7 tests OK info.character: found H2O(liq) [water]; also available in cr
subcrt: 2 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]
water.IAPWS95: calculating 5 values for rho rho G H S V Cp QBorn XBorn YBorn epsilon NBorn UBorn

test-subcrt.R.................    8 tests OK 
test-subcrt.R.................    9 tests OK water: setting water model to SUPCRT92

test-subcrt.R.................    9 tests OK 
test-subcrt.R.................    9 tests OK 
test-subcrt.R.................   10 tests OK info.character: found bunsenite(cr) with 2 polymorphic transitions
info.character: found nickel(cr) with 1 polymorphic transition
subcrt: 3 species at 15 values of T (ºC) and P (bar) [energy units: J]
subcrt: 3 polymorphs for bunsenite ... polymorphs 1,2,3 are stable
subcrt: 2 polymorphs for nickel ... polymorph 1 is stable

test-subcrt.R.................   11 tests OK subcrt: G is set to NA for covellite(cr) above its stability limit of 780.5 K (use exceed.Ttr = TRUE to output G)

test-subcrt.R.................   11 tests OK 
test-subcrt.R.................   12 tests OK changed energy units to cal

test-subcrt.R.................   12 tests OK 
test-subcrt.R.................   12 tests OK add.OBIGT: read 1 rows; made 1 replacements, 0 additions [energy units: cal]

test-subcrt.R.................   12 tests OK 
test-subcrt.R.................   12 tests OK 
test-subcrt.R.................   12 tests OK 
test-subcrt.R.................   12 tests OK 
test-subcrt.R.................   12 tests OK 
test-subcrt.R.................   12 tests OK 
test-subcrt.R.................   12 tests OK 
test-subcrt.R.................   12 tests OK subcrt: 1 species at 4 values of T (ºC) and P (bar) [energy units: cal]

test-subcrt.R.................   12 tests OK 
test-subcrt.R.................   13 tests OK 
test-subcrt.R.................   14 tests OK 
test-subcrt.R.................   15 tests OK 
test-subcrt.R.................   16 tests OK 
test-subcrt.R.................   17 tests OK OBIGT: loading default database with 1940 aqueous, 3486 total species

test-subcrt.R.................   17 tests OK 
test-subcrt.R.................   17 tests OK add.OBIGT: read 177 rows; made 65 replacements, 112 additions [energy units: cal]

test-subcrt.R.................   17 tests OK 
test-subcrt.R.................   17 tests OK 
test-subcrt.R.................   17 tests OK 
test-subcrt.R.................   17 tests OK 
test-subcrt.R.................   17 tests OK 
test-subcrt.R.................   17 tests OK 
test-subcrt.R.................   17 tests OK 
test-subcrt.R.................   17 tests OK info.character: found quartz(cr) with 1 polymorphic transition
subcrt: 1 species at 4 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 2 polymorphs for quartz ... polymorphs 1,2 are stable

test-subcrt.R.................   17 tests OK 
test-subcrt.R.................   18 tests OK 
test-subcrt.R.................   19 tests OK 
test-subcrt.R.................   20 tests OK 
test-subcrt.R.................   21 tests OK 
test-subcrt.R.................   22 tests OK OBIGT: loading default database with 1940 aqueous, 3486 total species

test-subcrt.R.................   22 tests OK 
test-subcrt.R.................   22 tests OK add.OBIGT: read 177 rows; made 65 replacements, 112 additions [energy units: cal]

test-subcrt.R.................   22 tests OK 
test-subcrt.R.................   22 tests OK info.character: found quartz(cr) with 1 polymorphic transition
subcrt: 1 species at 4 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 2 polymorphs for quartz ... polymorphs 1,2 are stable

test-subcrt.R.................   22 tests OK 
test-subcrt.R.................   23 tests OK 
test-subcrt.R.................   24 tests OK 
test-subcrt.R.................   25 tests OK 
test-subcrt.R.................   26 tests OK 
test-subcrt.R.................   26 tests OK info.character: found quartz(cr) with 1 polymorphic transition
subcrt: 1 species at 4 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 2 polymorphs for quartz ... polymorphs 1,2 are stable

test-subcrt.R.................   26 tests OK 
test-subcrt.R.................   27 tests OK 
test-subcrt.R.................   28 tests OK 
test-subcrt.R.................   29 tests OK 
test-subcrt.R.................   30 tests OK OBIGT: loading default database with 1940 aqueous, 3486 total species

test-subcrt.R.................   30 tests OK 
test-subcrt.R.................   30 tests OK info.character: found chalcocite(cr) with 2 polymorphic transitions
subcrt: 1 species at 2 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 3 polymorphs for chalcocite ... polymorphs 1,3 are stable

test-subcrt.R.................   30 tests OK info.character: found chalcocite(cr) with 2 polymorphic transitions
info.character: found chalcocite(cr) with 2 polymorphic transitions
subcrt: 2 species at 2 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 3 polymorphs for chalcocite ... polymorphs 1,3 are stable
subcrt: 3 polymorphs for chalcocite ... polymorphs 1,3 are stable

test-subcrt.R.................   30 tests OK 
test-subcrt.R.................   31 tests OK 
test-subcrt.R.................   32 tests OK 
test-subcrt.R.................   32 tests OK 
test-subcrt.R.................   32 tests OK affinity: pressure is 1 bar
affinity: variable 1 is T at 2 values from 273.15 to 1273.15 K
subcrt: 3 species at 2 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 3 polymorphs for chalcocite ... polymorphs 1,3 are stable
subcrt: 3 polymorphs for chalcocite ... polymorphs 1,3 are stable

test-subcrt.R.................   32 tests OK 
test-subcrt.R.................   33 tests OK 
test-subcrt.R.................   33 tests OK info.character: found SiO2(aq); also available in cr
subcrt: 2 species at 15 values of T (ºC) and P (bar) (wet) [energy units: cal]

test-subcrt.R.................   33 tests OK 
test-subcrt.R.................   34 tests OK info.character: found pyrrhotite(cr) with 2 polymorphic transitions
info.character: found pyrrhotite(cr) with 2 polymorphic transitions
subcrt: 2 species at 15 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 3 polymorphs for pyrrhotite ... polymorphs 1,2,3 are stable
subcrt: 3 polymorphs for pyrrhotite ... polymorphs 1,2,3 are stable

test-subcrt.R.................   34 tests OK 
test-subcrt.R.................   35 tests OK info.character: found SiO2(aq); also available in cr
info.character: found SiO2(aq); also available in cr
subcrt: 2 species at 15 values of T (ºC) and P (bar) (wet) [energy units: cal]

test-subcrt.R.................   35 tests OK 
test-subcrt.R.................   36 tests OK info.character: found H2O(liq) [water]; also available in cr
info.character: found H2O(liq) [water]; also available in cr
info.character: found H2O(liq) [water]; also available in cr
info.character: found H2O(liq) [water]; also available in cr
info.character: found H2O(liq) [water]; also available in cr
subcrt: 5 species at 15 values of T (ºC) and P (bar) (wet) [energy units: cal]

test-subcrt.R.................   36 tests OK 
test-subcrt.R.................   37 tests OK 
test-subcrt.R.................   38 tests OK 
test-subcrt.R.................   38 tests OK 
test-subcrt.R.................   38 tests OK 
test-subcrt.R.................   39 tests OK 
test-subcrt.R.................   40 tests OK 
test-subcrt.R.................   41 tests OK subcrt: 2 species at 3 values of T (ºC) and P (bar) (wet) [energy units: cal]

test-subcrt.R.................   41 tests OK 
test-subcrt.R.................   42 tests OK 
test-subcrt.R.................   42 tests OK add.OBIGT: read 177 rows; made 65 replacements, 112 additions [energy units: cal]

test-subcrt.R.................   42 tests OK info.character: found quartz(cr) with 1 polymorphic transition
subcrt: 2 species at 25 ºC and 1 bar (wet) [energy units: cal]
nonideal: calculations for K+ (Bdot equation)
subcrt: 2 polymorphs for quartz ... polymorph 1 is stable

test-subcrt.R.................   42 tests OK info.character: found quartz(cr) with 1 polymorphic transition
subcrt: 2 species at 25 ºC and 1 bar (wet) [energy units: cal]
nonideal: calculations for K+ (Bdot equation)
subcrt: 2 polymorphs for quartz ... polymorph 1 is stable

test-subcrt.R.................   42 tests OK 
test-subcrt.R.................   43 tests OK 
test-subcrt.R.................   44 tests OK 
test-subcrt.R.................   45 tests OK 
test-subcrt.R.................   46 tests OK info.character: found iron(cr) with 3 polymorphic transitions
info.character: found pyrrhotite(cr) with 2 polymorphic transitions
subcrt: 5 species at 25 ºC and 1 bar (wet) [energy units: cal]
nonideal: calculations for Na+, Cl-, OH- (Bdot equation)
subcrt: 4 polymorphs for iron ... polymorph 1 is stable
subcrt: 3 polymorphs for pyrrhotite ... polymorph 1 is stable

test-subcrt.R.................   47 tests OK 
test-subcrt.R.................   47 tests OK 
test-subcrt.R.................   48 tests OK 
test-subcrt.R.................   49 tests OK 
test-subcrt.R.................   49 tests OK info.character: found pyrrhotite(cr) with 2 polymorphic transitions
subcrt: 1 species at 15 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 3 polymorphs for pyrrhotite ... polymorphs 1,2,3 are stable

test-subcrt.R.................   49 tests OK 
test-subcrt.R.................   50 tests OK 
test-subcrt.R.................   50 tests OK info.character: found pyrrhotite(cr) with 2 polymorphic transitions

test-subcrt.R.................   50 tests OK subcrt: 1 species at 15 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 3 polymorphs for pyrrhotite ... polymorphs 1,2,3 are stable

test-subcrt.R.................   50 tests OK 
test-subcrt.R.................   51 tests OK 
test-subcrt.R.................   51 tests OK info.character: found pyrrhotite(cr) with 2 polymorphic transitions
subcrt: 1 species at 15 values of T (ºC) and P (bar) [energy units: cal]
subcrt: G is set to NA for pyrrhotite(cr) above its stability limit of 411 K (use exceed.Ttr = TRUE to output G)

test-subcrt.R.................   51 tests OK 
test-subcrt.R.................   52 tests OK 
test-subcrt.R.................   52 tests OK 
test-subcrt.R.................   53 tests OK 
test-subcrt.R.................   53 tests OK info.character: found pyrrhotite(cr) with 2 polymorphic transitions
subcrt: 1 species at 15 values of T (ºC) and P (bar) [energy units: cal]
subcrt: showing G for pyrrhotite(cr) above its stability limit of 411 K (use exceed.Ttr = FALSE to prevent this)

test-subcrt.R.................   53 tests OK 
test-subcrt.R.................   54 tests OK 
test-subcrt.R.................   54 tests OK 
test-subcrt.R.................   55 tests OK 
test-subcrt.R.................   55 tests OK 
test-subcrt.R.................   55 tests OK subcrt: 1 species at 15 values of T (ºC) and P (bar) (wet) [energy units: cal]
subcrt: reaction is not balanced; it is missing this composition:
Ca  Z 
-1 -2 
subcrt: adding missing composition from basis definition and restarting...
subcrt: 4 species at 15 values of T (ºC) and P (bar) (wet) [energy units: cal]
subcrt: showing G for gypsum(cr) above its stability limit of 400 K (use exceed.Ttr = FALSE to prevent this)

test-subcrt.R.................   55 tests OK 
test-subcrt.R.................   56 tests OK info.character: found H2O(liq) [water]; also available in cr
subcrt: 4 species at 15 values of T (ºC) and P (bar) (wet) [energy units: cal]
subcrt: showing G for gypsum(cr) above its stability limit of 400 K (use exceed.Ttr = FALSE to prevent this)

test-subcrt.R.................   56 tests OK 
test-subcrt.R.................   57 tests OK 
test-subcrt.R.................   57 tests OK 
test-subcrt.R.................   58 tests OK 
test-subcrt.R.................   59 tests OK 
test-subcrt.R.................   59 tests OK 
test-subcrt.R.................   59 tests OK info.character: found pyrrhotite(cr) with 2 polymorphic transitions
subcrt: 1 species at 15 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 3 polymorphs for pyrrhotite ... polymorphs 1,2,3 are stable

test-subcrt.R.................   59 tests OK 
test-subcrt.R.................   60 tests OK info.character: found pyrrhotite(cr) with 2 polymorphic transitions
subcrt: 1 species at 15 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 3 polymorphs for pyrrhotite ... polymorphs 1,2,3 are stable

test-subcrt.R.................   60 tests OK 
test-subcrt.R.................   61 tests OK 
test-subcrt.R.................   61 tests OK 
test-subcrt.R.................   61 tests OK subcrt: 1 species at 15 values of T (ºC) and P (bar) (wet) [energy units: cal]
subcrt: reaction is not balanced; it is missing this composition:
 C  H  O  Z 
-2 -3 -2  1 
subcrt: adding missing composition from basis definition and restarting...
subcrt: 5 species at 15 values of T (ºC) and P (bar) (wet) [energy units: cal]
nonideal: calculations for C2H3O2- (Bdot equation)
nonideal: calculations for CO2 (Setchenow equation)

test-subcrt.R.................   61 tests OK 
test-subcrt.R.................   62 tests OK 
test-subcrt.R.................   62 tests OK 
test-subcrt.R.................   62 tests OK info.character: found carrollite(cr) with 1 polymorphic transition
subcrt: 1 species at 4 values of T (ºC) and P (bar) [energy units: cal]
subcrt: 2 polymorphs for carrollite ... polymorphs 1,2 are stable

test-subcrt.R.................   62 tests OK 
test-subcrt.R.................   63 tests OK 
test-subcrt.R.................   63 tests OK changed energy units to J

test-subcrt.R.................   63 tests OK info.character: found H2O(liq) [water]; also available in cr
subcrt: 1 species at 22 values of T (ºC) and P (bar) (wet) [energy units: J]
water.SUPCRT92: error calculating 1 of 22 points; T < Tfusion@P, T > 2250 degC, or P > 30kb.

test-subcrt.R.................   63 tests OK 
test-subcrt.R.................   64 tests OK 
test-subcrt.R.................   65 tests OK 
test-subcrt.R.................   65 tests OK 1.6s [Exited at #262: Skipping tests on CRAN]
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-swap.basis.R.............    0 tests    
test-swap.basis.R.............    0 tests    
test-swap.basis.R.............    1 tests OK 
test-swap.basis.R.............    1 tests OK 
test-swap.basis.R.............    2 tests OK 
test-swap.basis.R.............    3 tests OK 
test-swap.basis.R.............    4 tests OK 
test-swap.basis.R.............    5 tests OK 
test-swap.basis.R.............    6 tests OK 
test-swap.basis.R.............    6 tests OK 
test-swap.basis.R.............    6 tests OK 
test-swap.basis.R.............    7 tests OK 
test-swap.basis.R.............    7 tests OK 
test-swap.basis.R.............    7 tests OK 
test-swap.basis.R.............    7 tests OK 
test-swap.basis.R.............    7 tests OK 
test-swap.basis.R.............    8 tests OK 
test-swap.basis.R.............    8 tests OK 
test-swap.basis.R.............    8 tests OK 
test-swap.basis.R.............    8 tests OK subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-swap.basis.R.............    8 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 12 species at 25 ºC and 1 bar (wet) [energy units: J]

test-swap.basis.R.............    8 tests OK subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-swap.basis.R.............    8 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 12 species at 25 ºC and 1 bar (wet) [energy units: J]

test-swap.basis.R.............    8 tests OK subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]
subcrt: 8 species at 25 ºC and 1 bar (wet) [energy units: J]

test-swap.basis.R.............    8 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
subcrt: 12 species at 25 ºC and 1 bar (wet) [energy units: J]

test-swap.basis.R.............    8 tests OK 
test-swap.basis.R.............    9 tests OK 
test-swap.basis.R.............   10 tests OK 0.5s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-thermo.R.................    0 tests    
test-thermo.R.................    0 tests    
test-thermo.R.................    1 tests OK 
test-thermo.R.................    2 tests OK protein.OBIGT: found LYSC_CHICK (C613H959N193O185S10, 129 residues)
subcrt: 1 species at 15 values of T (ºC) and P (bar) [energy units: J]

test-thermo.R.................    3 tests OK mod.OBIGT: updated [Ala](cr)

test-thermo.R.................    3 tests OK protein.OBIGT: found RNAS1_BOVIN (C575H909N171O193S12, 124 residues)
subcrt: 1 species at 15 values of T (ºC) and P (bar) [energy units: J]

test-thermo.R.................    4 tests OK mod.OBIGT: updated [Ala](aq)

test-thermo.R.................    4 tests OK subcrt: 1 species at 15 values of T (ºC) and P (bar) (wet) [energy units: J]

test-thermo.R.................    5 tests OK 
test-thermo.R.................    5 tests OK 
test-thermo.R.................    5 tests OK 
test-thermo.R.................    5 tests OK 
test-thermo.R.................    6 tests OK 
test-thermo.R.................    6 tests OK 
test-thermo.R.................    7 tests OK 
test-thermo.R.................    7 tests OK 
test-thermo.R.................    7 tests OK 
test-thermo.R.................    7 tests OK 
test-thermo.R.................    8 tests OK 
test-thermo.R.................    8 tests OK 
test-thermo.R.................    9 tests OK 
test-thermo.R.................    9 tests OK 
test-thermo.R.................   10 tests OK 0.3s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-util.R...................    0 tests    
test-util.R...................    0 tests    
test-util.R...................    1 tests OK 
test-util.R...................    2 tests OK 
test-util.R...................    2 tests OK 
test-util.R...................    3 tests OK 
test-util.R...................    4 tests OK 
test-util.R...................    4 tests OK 
test-util.R...................    5 tests OK 
test-util.R...................    5 tests OK 
test-util.R...................    5 tests OK info.numeric: S of cystine(aq) is NA; set to 61.81 cal mol-1

test-util.R...................    5 tests OK 
test-util.R...................    5 tests OK 
test-util.R...................    6 tests OK 
test-util.R...................    6 tests OK 
test-util.R...................    7 tests OK 
test-util.R...................    7 tests OK 
test-util.R...................    7 tests OK 
test-util.R...................    7 tests OK 
test-util.R...................    8 tests OK 
test-util.R...................    9 tests OK 
test-util.R...................    9 tests OK 
test-util.R...................   10 tests OK 
test-util.R...................   10 tests OK 
test-util.R...................   11 tests OK 
test-util.R...................   12 tests OK 
test-util.R...................   13 tests OK 
test-util.R...................   13 tests OK 
test-util.R...................   14 tests OK 
test-util.R...................   14 tests OK add.OBIGT: read 177 rows; made 65 replacements, 112 additions [energy units: cal]

test-util.R...................   14 tests OK 
test-util.R...................   14 tests OK 
test-util.R...................   15 tests OK 0.2s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-util.affinity.R..........    0 tests    
test-util.affinity.R..........    0 tests    
test-util.affinity.R..........    0 tests    
test-util.affinity.R..........    0 tests    
test-util.affinity.R..........    0 tests    subcrt: 18 species at 3 values of T (ºC) and P (bar) (wet) [energy units: J]

test-util.affinity.R..........    0 tests    
test-util.affinity.R..........    1 tests OK 
test-util.affinity.R..........    2 tests OK 
test-util.affinity.R..........    2 tests OK 
test-util.affinity.R..........    2 tests OK affinity: pressure is Psat
affinity: variable 1 is log10(a_CO2) at 6 values from -5 to 0
affinity: variable 2 is pH at 2 values from 0 to 14
affinity: variable 3 is Eh at 3 values from -1 to 0 V
affinity: variable 4 is T at 4 values from 298.15 to 301.15 K

test-util.affinity.R..........    2 tests OK subcrt: 18 species at 4 values of T (ºC) and P (bar) (wet) [energy units: J]

test-util.affinity.R..........    2 tests OK 
test-util.affinity.R..........    3 tests OK affinity: temperature is 25 ºC
affinity: pressure is Psat
affinity: variable 1 is pH at 2 values from 0 to 14
affinity: variable 2 is Eh at 2 values from -1 to 0 V

test-util.affinity.R..........    3 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-util.affinity.R..........    3 tests OK 
test-util.affinity.R..........    4 tests OK subcrt: 18 species at 25 ºC and 1 bar (wet) [energy units: J]

test-util.affinity.R..........    4 tests OK 
test-util.affinity.R..........    5 tests OK 
test-util.affinity.R..........    5 tests OK 
test-util.affinity.R..........    5 tests OK 
test-util.affinity.R..........    5 tests OK affinity: pressure is Psat
affinity: variable 1 is T at 2 values from 298.15 to 323.15 K
affinity: variable 2 is log10(f_O2) at 3 values from -80 to -60

test-util.affinity.R..........    5 tests OK subcrt: 7 species at 2 values of T (ºC) and P (bar) (wet) [energy units: J]

test-util.affinity.R..........    5 tests OK 
test-util.affinity.R..........    5 tests OK 
test-util.affinity.R..........    5 tests OK 
test-util.affinity.R..........    5 tests OK affinity: pressure is Psat
affinity: variable 1 is T at 2 values from 298.15 to 323.15 K
affinity: variable 2 is log10(f_O2) at 3 values from -80 to -60

test-util.affinity.R..........    5 tests OK subcrt: 8 species at 2 values of T (ºC) and P (bar) (wet) [energy units: J]
affinity: ionizing proteins ...
subcrt: 18 species at 2 values of T (ºC) and P (bar) (wet) [energy units: J]

test-util.affinity.R..........    5 tests OK 
test-util.affinity.R..........    6 tests OK 
test-util.affinity.R..........    6 tests OK subcrt: 18 species at 2 values of T (ºC) and P (bar) (wet) [energy units: J]

test-util.affinity.R..........    6 tests OK 
test-util.affinity.R..........    7 tests OK 
test-util.affinity.R..........    8 tests OK 0.6s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-util.data.R..............    0 tests    
test-util.data.R..............    0 tests    
test-util.data.R..............    0 tests    OBIGT: loading default database with 1940 aqueous, 3486 total species

test-util.data.R..............    0 tests    
test-util.data.R..............    0 tests    
test-util.data.R..............    1 tests OK 
test-util.data.R..............    1 tests OK 
test-util.data.R..............    1 tests OK 
test-util.data.R..............    2 tests OK 
test-util.data.R..............    2 tests OK 
test-util.data.R..............    3 tests OK 
test-util.data.R..............    3 tests OK 
test-util.data.R..............    3 tests OK 
test-util.data.R..............    3 tests OK 
test-util.data.R..............    4 tests OK 
test-util.data.R..............    4 tests OK 
test-util.data.R..............    4 tests OK 
test-util.data.R..............    5 tests OK 
test-util.data.R..............    5 tests OK 
test-util.data.R..............    5 tests OK 
test-util.data.R..............    5 tests OK 
test-util.data.R..............    5 tests OK 
test-util.data.R..............    5 tests OK 
test-util.data.R..............    5 tests OK 
test-util.data.R..............    5 tests OK 
test-util.data.R..............    6 tests OK 
test-util.data.R..............    7 tests OK 
test-util.data.R..............    8 tests OK 
test-util.data.R..............    9 tests OK 
test-util.data.R..............   10 tests OK 
test-util.data.R..............   11 tests OK 
test-util.data.R..............   12 tests OK 
test-util.data.R..............   13 tests OK 
test-util.data.R..............   13 tests OK 
test-util.data.R..............   13 tests OK 
test-util.data.R..............   13 tests OK add.OBIGT: read 4 rows; made 4 replacements, 0 additions [energy units: cal]

test-util.data.R..............   13 tests OK 
test-util.data.R..............   14 tests OK 
test-util.data.R..............   14 tests OK 
test-util.data.R..............   15 tests OK 
test-util.data.R..............   15 tests OK 
test-util.data.R..............   15 tests OK 
test-util.data.R..............   16 tests OK 
test-util.data.R..............   16 tests OK 
test-util.data.R..............   17 tests OK 
test-util.data.R..............   18 tests OK 
test-util.data.R..............   19 tests OK 
test-util.data.R..............   20 tests OK 
test-util.data.R..............   21 tests OK 
test-util.data.R..............   21 tests OK add.OBIGT: read 6 rows; made 6 replacements, 0 additions [energy units: J and cal]

test-util.data.R..............   21 tests OK info.numeric: G of DMA_cal_NA(aq) is NA; set to 13933.84 cal mol-1
info.numeric: Cp° of DMA_cal_NA(aq) is NA; set by EOS parameters to 60.32 cal K-1 mol-1
info.numeric: V° of DMA_cal_NA(aq) is NA; set by EOS parameters to 58.19 cm3 mol-1

test-util.data.R..............   21 tests OK 
test-util.data.R..............   22 tests OK 
test-util.data.R..............   23 tests OK 
test-util.data.R..............   24 tests OK info.numeric: G of DMA_J_NA(aq) is NA; set to 58304.47 J mol-1
info.numeric: Cp° of DMA_J_NA(aq) is NA; set by EOS parameters to 252.38 J K-1 mol-1
info.numeric: V° of DMA_J_NA(aq) is NA; set by EOS parameters to 58.18 cm3 mol-1

test-util.data.R..............   24 tests OK 
test-util.data.R..............   25 tests OK 
test-util.data.R..............   26 tests OK 
test-util.data.R..............   27 tests OK 
test-util.data.R..............   27 tests OK add.OBIGT: read 6 rows; made 6 replacements, 0 additions [energy units: J and cal]

test-util.data.R..............   27 tests OK changed energy units to cal

test-util.data.R..............   27 tests OK subcrt: 1 species at 15 values of T (ºC) and P (bar) (wet) [energy units: cal]

test-util.data.R..............   27 tests OK subcrt: 1 species at 15 values of T (ºC) and P (bar) (wet) [energy units: cal]

test-util.data.R..............   27 tests OK 
test-util.data.R..............   28 tests OK 
test-util.data.R..............   29 tests OK 
test-util.data.R..............   30 tests OK 
test-util.data.R..............   31 tests OK 
test-util.data.R..............   32 tests OK changed energy units to J

test-util.data.R..............   32 tests OK subcrt: 1 species at 25 ºC and 1 bar (wet) [energy units: J]

test-util.data.R..............   32 tests OK check.EOS: calculated Cp° of DMA_J(aq) differs by -8.02 J K-1 mol-1 from database value

test-util.data.R..............   32 tests OK 
test-util.data.R..............   33 tests OK 
test-util.data.R..............   34 tests OK 
test-util.data.R..............   35 tests OK 
test-util.data.R..............   35 tests OK mod.OBIGT: added test_cal(cr) with CGL model and energy units of cal

test-util.data.R..............   35 tests OK mod.OBIGT: added test_J(cr) with CGL model and energy units of J

test-util.data.R..............   35 tests OK subcrt: 1 species at 25 ºC and 1 bar [energy units: J]
subcrt: 1 species at 25 ºC and 1 bar [energy units: J]

test-util.data.R..............   36 tests OK mod.OBIGT: added test_cal2(cr) with CGL model and energy units of cal

test-util.data.R..............   36 tests OK mod.OBIGT: added test_J2(cr) with CGL model and energy units of J

test-util.data.R..............   36 tests OK subcrt: 1 species at 25 ºC and 1 bar [energy units: J]
subcrt: 1 species at 25 ºC and 1 bar [energy units: J]

test-util.data.R..............   37 tests OK 
test-util.data.R..............   37 tests OK mod.OBIGT: added fake_cr(cr) with CGL model and energy units of J

test-util.data.R..............   37 tests OK mod.OBIGT: added fake_aq(aq) with CGL model and energy units of J

test-util.data.R..............   37 tests OK 
test-util.data.R..............   38 tests OK check.GHS: calculated ΔG°f of fake_aq(aq) differs by 94120 J mol-1 from database value

test-util.data.R..............   39 tests OK subcrt: 1 species at 15 values of T (ºC) and P (bar) [energy units: J]
subcrt: 1 species at 15 values of T (ºC) and P (bar) [energy units: J]

test-util.data.R..............   40 tests OK 0.6s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-util.expression.R........    0 tests    
test-util.expression.R........    0 tests    
test-util.expression.R........    1 tests OK 
test-util.expression.R........    1 tests OK 
test-util.expression.R........    1 tests OK 
test-util.expression.R........    2 tests OK 
test-util.expression.R........    2 tests OK 
test-util.expression.R........    2 tests OK 
test-util.expression.R........    3 tests OK 0.2s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-util.list.R..............    0 tests    
test-util.list.R..............    0 tests    
test-util.list.R..............    0 tests    
test-util.list.R..............    0 tests    
test-util.list.R..............    1 tests OK 
test-util.list.R..............    2 tests OK 
test-util.list.R..............    2 tests OK 
test-util.list.R..............    2 tests OK 
test-util.list.R..............    3 tests OK 0.2s

test-util.program.R...........    0 tests    2ms [Exited at #5: Skipping long test]
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-util.seq.R...............    0 tests    
test-util.seq.R...............    0 tests    
test-util.seq.R...............    1 tests OK 
test-util.seq.R...............    1 tests OK 
test-util.seq.R...............    2 tests OK 
test-util.seq.R...............    3 tests OK 
test-util.seq.R...............    4 tests OK 
test-util.seq.R...............    4 tests OK 
test-util.seq.R...............    5 tests OK 
test-util.seq.R...............    6 tests OK 
test-util.seq.R...............    6 tests OK 
test-util.seq.R...............    6 tests OK 
test-util.seq.R...............    6 tests OK 
test-util.seq.R...............    7 tests OK 0.3s
reset: resetting "thermo" object
OBIGT: loading default database with 1940 aqueous, 3486 total species

test-water.R..................    0 tests    
test-water.R..................    0 tests    
test-water.R..................    1 tests OK 
test-water.R..................    2 tests OK 
test-water.R..................    2 tests OK 
test-water.R..................    3 tests OK 
test-water.R..................    4 tests OK 
test-water.R..................    4 tests OK 
test-water.R..................    4 tests OK 
test-water.R..................    5 tests OK 
test-water.R..................    6 tests OK 
test-water.R..................    6 tests OK 
test-water.R..................    7 tests OK 
test-water.R..................    8 tests OK 
test-water.R..................    8 tests OK 
test-water.R..................    8 tests OK 
test-water.R..................    9 tests OK water.IAPWS95: calculating 1 values for rho G H S Cp

test-water.R..................   10 tests OK 0.2s

test-water.lines.R............    0 tests    3ms [Exited at #5: Skipping long test]
All ok, 567 results (19.0s)
> 
> proc.time()
   user  system elapsed 
  18.60    0.71   19.31