From 778347d6dc6ac467d850feb0987fed2d6d05772e Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Sun, 20 May 2007 22:22:28 +0000 Subject: [PATCH] Change some input files to ensure that charge and the element composition of E are in line with each other. --- .../cathermo/DH_graph_1/DH_NaCl_dilute.xml | 12 ++++++------ test_problems/cathermo/DH_graph_NM/DH_NaCl_NM.xml | 12 ++++++------ .../cathermo/DH_graph_Pitzer/DH_NaCl_Pitzer.xml | 12 ++++++------ .../cathermo/DH_graph_acommon/DH_NaCl_acommon.xml | 12 ++++++------ test_problems/cathermo/DH_graph_acommon/runtest | 4 ++-- .../cathermo/DH_graph_bdotak/DH_NaCl_bdotak.xml | 12 ++++++------ .../HMW_graph_CpvT/HMW_NaCl_sp1977_alt.xml | 10 +++++----- test_problems/cathermo/HMW_graph_GvI/HMW_NaCl.xml | 10 +++++----- .../cathermo/HMW_graph_GvT/HMW_NaCl_sp1977_alt.xml | 14 +++++++------- .../cathermo/HMW_graph_HvT/HMW_NaCl_sp1977_alt.xml | 14 +++++++------- .../cathermo/HMW_graph_VvT/HMW_NaCl_sp1977_alt.xml | 14 +++++++------- test_problems/cathermo/HMW_test_1/HMW_NaCl.xml | 10 +++++----- test_problems/cathermo/HMW_test_3/HMW_NaCl_tc.xml | 10 +++++----- 13 files changed, 73 insertions(+), 73 deletions(-) diff --git a/test_problems/cathermo/DH_graph_1/DH_NaCl_dilute.xml b/test_problems/cathermo/DH_graph_1/DH_NaCl_dilute.xml index 826575880..462ac77d1 100644 --- a/test_problems/cathermo/DH_graph_1/DH_NaCl_dilute.xml +++ b/test_problems/cathermo/DH_graph_1/DH_NaCl_dilute.xml @@ -40,7 +40,7 @@ H2O(L) - O H C Fe Si N Na Cl + O H C E Fe Si N Na Cl H2O(L) Na+ Cl- H+ OH- NaCl(aq) NaOH(aq) SiO2(aq) NaH3SiO4(aq) H3SiO4- @@ -69,7 +69,7 @@ - Na:1 + Na:1 E:-1 +1 @@ -89,7 +89,7 @@ - Cl:1 + Cl:1 E:1 -1 1.3 @@ -109,7 +109,7 @@ - H:1 + H:1 E:-1 +1 0.0 @@ -129,7 +129,7 @@ - O:1 H:1 + O:1 H:1 E:1 -1 1.3 @@ -236,7 +236,7 @@ - Si:1 O:4 H:3 + Si:1 O:4 H:3 E:1 -1 -1.0 chargedSpecies diff --git a/test_problems/cathermo/DH_graph_NM/DH_NaCl_NM.xml b/test_problems/cathermo/DH_graph_NM/DH_NaCl_NM.xml index ef084e6ff..3497178d2 100644 --- a/test_problems/cathermo/DH_graph_NM/DH_NaCl_NM.xml +++ b/test_problems/cathermo/DH_graph_NM/DH_NaCl_NM.xml @@ -50,7 +50,7 @@ H2O(L) - O H C Fe Si N Na Cl + O H C E Fe Si N Na Cl @@ -72,7 +72,7 @@ - Na:1 + Na:1 E:-1 +1 @@ -92,7 +92,7 @@ - Cl:1 + Cl:1 E:1 -1 1.3 @@ -112,7 +112,7 @@ - H:1 + H:1 E:-1 +1 1.3 @@ -132,7 +132,7 @@ - O:1 H:1 + O:1 H:1 E:1 -1 1.3 @@ -220,7 +220,7 @@ - Si:1 O:4 H:3 + Si:1 O:4 H:3 E:1 -1 -1.0 chargedSpecies diff --git a/test_problems/cathermo/DH_graph_Pitzer/DH_NaCl_Pitzer.xml b/test_problems/cathermo/DH_graph_Pitzer/DH_NaCl_Pitzer.xml index f2814426f..8b612ff14 100644 --- a/test_problems/cathermo/DH_graph_Pitzer/DH_NaCl_Pitzer.xml +++ b/test_problems/cathermo/DH_graph_Pitzer/DH_NaCl_Pitzer.xml @@ -50,7 +50,7 @@ H2O(L) - O H C Fe Si N Na Cl + O H C E Fe Si N Na Cl @@ -72,7 +72,7 @@ - Na:1 + Na:1 E:-1 +1 @@ -92,7 +92,7 @@ - Cl:1 + Cl:1 E:1 -1 1.3 @@ -112,7 +112,7 @@ - H:1 + H:1 E:-1 +1 1.3 @@ -132,7 +132,7 @@ - O:1 H:1 + O:1 H:1 E:1 -1 1.3 @@ -220,7 +220,7 @@ - Si:1 O:4 H:3 + Si:1 O:4 H:3 E:1 -1 -1.0 chargedSpecies diff --git a/test_problems/cathermo/DH_graph_acommon/DH_NaCl_acommon.xml b/test_problems/cathermo/DH_graph_acommon/DH_NaCl_acommon.xml index cfdba87c9..69b4a8363 100644 --- a/test_problems/cathermo/DH_graph_acommon/DH_NaCl_acommon.xml +++ b/test_problems/cathermo/DH_graph_acommon/DH_NaCl_acommon.xml @@ -40,7 +40,7 @@ H2O(L) - O H C Fe Si N Na Cl + O H C E Fe Si N Na Cl H2O(L) Na+ Cl- H+ OH- NaCl(aq) NaOH(aq) SiO2(aq) NaH3SiO4(aq) H3SiO4- @@ -69,7 +69,7 @@ - Na:1 + Na:1 E:-1 +1 @@ -89,7 +89,7 @@ - Cl:1 + Cl:1 E:1 -1 1.3 @@ -109,7 +109,7 @@ - H:1 + H:1 E:-1 +1 0.0 @@ -129,7 +129,7 @@ - O:1 H:1 + O:1 H:1 E:1 -1 1.3 @@ -236,7 +236,7 @@ - Si:1 O:4 H:3 + Si:1 O:4 H:3 E:1 -1 -1.0 chargedSpecies diff --git a/test_problems/cathermo/DH_graph_acommon/runtest b/test_problems/cathermo/DH_graph_acommon/runtest index 04c250b9e..16198696c 100755 --- a/test_problems/cathermo/DH_graph_acommon/runtest +++ b/test_problems/cathermo/DH_graph_acommon/runtest @@ -31,9 +31,9 @@ retnStat=$? diff DH_NaCl_acommon.csv DH_NaCl_acommon_blessed.csv > output.txt zres=$? if test "$zres" = "0" -a "$retnStat" = "0"; then - echo "successful diff comparison on $prog acommon test" + echo "successful diff comparison on $prog _acommon test" else - echo "unsuccessful diff comparison on $prog acommon test" + echo "unsuccessful diff comparison on $prog _acommon test" echo "FAILED" > csvCode.txt temp_success="0" fi diff --git a/test_problems/cathermo/DH_graph_bdotak/DH_NaCl_bdotak.xml b/test_problems/cathermo/DH_graph_bdotak/DH_NaCl_bdotak.xml index 0a6427394..874682771 100644 --- a/test_problems/cathermo/DH_graph_bdotak/DH_NaCl_bdotak.xml +++ b/test_problems/cathermo/DH_graph_bdotak/DH_NaCl_bdotak.xml @@ -40,7 +40,7 @@ H2O(L) - O H C Fe Si N Na Cl + O H C E Fe Si N Na Cl H2O(L) Na+ Cl- H+ OH- NaCl(aq) NaOH(aq) SiO2(aq) NaH3SiO4(aq) H3SiO4- @@ -69,7 +69,7 @@ - Na:1 + Na:1 E:-1 +1 @@ -89,7 +89,7 @@ - Cl:1 + Cl:1 E:1 -1 1.3 @@ -109,7 +109,7 @@ - H:1 + H:1 E:-1 +1 0.0 @@ -129,7 +129,7 @@ - O:1 H:1 + O:1 H:1 E:1 -1 1.3 @@ -236,7 +236,7 @@ - Si:1 O:4 H:3 + Si:1 O:4 H:3 E:1 -1 -1.0 chargedSpecies diff --git a/test_problems/cathermo/HMW_graph_CpvT/HMW_NaCl_sp1977_alt.xml b/test_problems/cathermo/HMW_graph_CpvT/HMW_NaCl_sp1977_alt.xml index 48aef28df..a42c8cb9a 100644 --- a/test_problems/cathermo/HMW_graph_CpvT/HMW_NaCl_sp1977_alt.xml +++ b/test_problems/cathermo/HMW_graph_CpvT/HMW_NaCl_sp1977_alt.xml @@ -93,7 +93,7 @@ H2O(L) - O H C Fe Si N Na Cl + O H C E Fe Si N Na Cl @@ -129,7 +129,7 @@ - Na:1 + Na:1 E:-1 +1 @@ -162,7 +162,7 @@ Notes: the order of the polynomials can be decreased by dropping terms from the complete Shomate poly. --> - Cl:1 + Cl:1 E:1 -1 @@ -189,7 +189,7 @@ The H+ standard state is set to zeroes by convention. This includes it's contribution to the molar volume of solution. --> - H:1 + H:1 E:-1 +1 0.0 @@ -219,7 +219,7 @@ Notes: the order of the polynomials can be decreased by dropping terms from the complete Shomate poly. --> - O:1 H:1 + O:1 H:1 E:1 -1 - Na:1 + Na:1 E:-1 +1 @@ -162,7 +162,7 @@ Notes: the order of the polynomials can be decreased by dropping terms from the complete Shomate poly. --> - Cl:1 + Cl:1 E:1 -1 @@ -189,7 +189,7 @@ The H+ standard state is set to zeroes by convention. This includes it's contribution to the molar volume of solution. --> - H:1 + H:1 E:-1 +1 0.0 @@ -219,7 +219,7 @@ Notes: the order of the polynomials can be decreased by dropping terms from the complete Shomate poly. --> - O:1 H:1 + O:1 H:1 E:1 -1 @@ -129,7 +129,7 @@ - Na:1 + Na:1 E:-1 +1 @@ -162,7 +162,7 @@ Notes: the order of the polynomials can be decreased by dropping terms from the complete Shomate poly. --> - Cl:1 + Cl:1 E:1 -1 @@ -189,7 +189,7 @@ The H+ standard state is set to zeroes by convention. This includes it's contribution to the molar volume of solution. --> - H:1 + H:1 E:-1 +1 0.0 @@ -219,7 +219,7 @@ Notes: the order of the polynomials can be decreased by dropping terms from the complete Shomate poly. --> - O:1 H:1 + O:1 H:1 E:1 -1 @@ -129,7 +129,7 @@ - Na:1 + Na:1 E:-1 +1 @@ -162,7 +162,7 @@ Notes: the order of the polynomials can be decreased by dropping terms from the complete Shomate poly. --> - Cl:1 + Cl:1 E:1 -1 @@ -189,7 +189,7 @@ The H+ standard state is set to zeroes by convention. This includes it's contribution to the molar volume of solution. --> - H:1 + H:1 E:-1 +1 0.0 @@ -219,7 +219,7 @@ Notes: the order of the polynomials can be decreased by dropping terms from the complete Shomate poly. --> - O:1 H:1 + O:1 H:1 E:1 -1 @@ -129,7 +129,7 @@ - Na:1 + Na:1 E:-1 +1 @@ -162,7 +162,7 @@ Notes: the order of the polynomials can be decreased by dropping terms from the complete Shomate poly. --> - Cl:1 + Cl:1 E:1 -1 @@ -189,7 +189,7 @@ The H+ standard state is set to zeroes by convention. This includes it's contribution to the molar volume of solution. --> - H:1 + H:1 E:-1 +1 0.0 @@ -219,7 +219,7 @@ Notes: the order of the polynomials can be decreased by dropping terms from the complete Shomate poly. --> - O:1 H:1 + O:1 H:1 E:1 -1