diff --git a/test_problems/cathermo/HMW_graph_GvT/runtest b/test_problems/cathermo/HMW_graph_GvT/runtest new file mode 100755 index 000000000..24b9f0075 --- /dev/null +++ b/test_problems/cathermo/HMW_graph_GvT/runtest @@ -0,0 +1,45 @@ +#!/bin/sh +# +# +temp_success="1" +/bin/rm -f output.txt outputa.txt + +########################################################################## +prog=HMW_graph_GvT +if test ! -x $prog ; then + echo $prog ' does not exist' + exit 1 +fi +########################################################################## +/bin/rm -f test.out test.diff output.txt + +################################################################# +# +CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA +CANTERA_BIN=${CANTERA_BIN:=../../../bin} + +################################################################# + +./$prog HMW_NaCl_sp1977_alt.xml > output.txt +retnStat=$? +if [ $retnStat != "0" ] +then + temp_success="0" + echo "$prog returned with bad status, $retnStat, check output" + exit 1 +fi + +$CANTERA_BIN/exp3to2.sh output.txt > outputa.txt +diff -w outputa.txt output_blessed.txt > diff_test.out +retnStat=$? +if [ $retnStat = "0" ] +then + echo "successful diff comparison on $prog test" + exit 0 +else + echo "unsuccessful diff comparison on $prog test" + echo "FAILED" > csvCode.txt + temp_success="0" + exit 0 +fi + diff --git a/test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp b/test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp index 1db7a0bda..a87973c40 100644 --- a/test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp +++ b/test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp @@ -225,8 +225,8 @@ int main(int argc, char** argv) } if (i != TTable.NPoints+1) { - printf("%13g, %13g, %13g, %13g, %13g, %13g, " - "%13.5g, %13g, %13g, %13g\n", + printf("%13.4g, %13.4g, %13.4g, %13.4g, %13.4g, %13.4g, " + "%13.5g, %13.4g, %13.4g, %13.4g\n", T, pres*1.0E-5, Aphi, Av, Delta_V0s*1.0E3, Delta_Vs*1.0E3, Vex*1.0E3, phiV*1.0E3, molarV*1.0E3 , molarV0*1.0E3); #ifdef DEBUG_HKM @@ -242,13 +242,13 @@ int main(int argc, char** argv) printf(" Species MoleFrac Molal V0 " " partV (partV - V0)\n"); printf(" H2O(L)"); - printf("%13g %13g %13g %13g %13g\n", Xmol[0], moll[0], V0_H2O*1.E3, V_H2O*1.E3, + printf("%13.4g %13.4g %13.4g %13.4g %13.4g\n", Xmol[0], moll[0], V0_H2O*1.E3, V_H2O*1.E3, (V_H2O-V0_H2O)*1.E3); printf(" Na+ "); - printf("%13g %13g %13g %13g %13g\n", Xmol[i1], moll[i1], + printf("%13.4g %13.4g %13.4g %13.4g %13.4g\n", Xmol[i1], moll[i1], V0_Naplus*1.E3 , V_Naplus*1.E3, (V_Naplus -V0_Naplus)*1.E3); printf(" Cl- "); - printf("%13g %13g %13g %13g %13g\n", Xmol[i2], moll[i2], + printf("%13.4g %13.4g %13.4g %13.4g %13.4g\n", Xmol[i2], moll[i2], V0_Clminus*1.E3, V_Clminus*1.E3, (V_Clminus - V0_Clminus)*1.E3); printf(" NaCl(s)"); @@ -256,7 +256,7 @@ int main(int argc, char** argv) if (fabs(dd) < 1.0E-12) { dd = 0.0; } - printf("%13g %13g %13g %13g\n", 1.0, + printf("%13.4g %13.4g %13.4g %13.4g\n", 1.0, V0_NaCl*1.E3 , V_NaCl*1.E3, dd); diff --git a/test_problems/cathermo/HMW_graph_VvT/output_blessed.txt b/test_problems/cathermo/HMW_graph_VvT/output_blessed.txt index 0098a2e23..41394c727 100644 --- a/test_problems/cathermo/HMW_graph_VvT/output_blessed.txt +++ b/test_problems/cathermo/HMW_graph_VvT/output_blessed.txt @@ -15,25 +15,25 @@ phiV: phiV, calculated from the program, is checked T, Pres, Aphi, A_V, Delta_V0, Delta_Vs, Vex, phiV, MolarV, MolarV0 Kelvin, bar, sqrt(kg/gmol),sqrt(kg/gmol)cm3/gmol,cm**3/gmolSalt,cm**3/gmolSalt,cm**3/gmolSoln,cm**3/gmolSalt,cm**3/gmol, cm**3/gmol - 273.15, 1.01325, 0.376717, 1.50615, -10.3142, -8.58213, 0.15701, 1.73208, 16.4205, 16.2635 - 298.15, 1.01325, 0.391447, 1.87431, -10.3142, -8.15874, 0.19539, 2.15547, 16.5002, 16.3049 - 323.15, 1.01325, 0.410293, 2.37345, -10.3142, -7.58473, 0.24742, 2.72949, 16.6872, 16.4398 - 348.15, 1.01325, 0.433273, 3.06975, -10.3142, -6.78398, 0.32001, 3.53023, 16.9618, 16.6418 - 373.15, 1.01418, 0.460559, 4.05157, -10.3142, -5.65488, 0.42236, 4.65934, 17.3246, 16.9022 - 398.15, 2.32238, 0.492454, 5.45118, -10.3142, -4.04532, 0.56826, 6.26889, 17.7872, 17.2189 - 423.15, 4.76165, 0.529514, 7.4808, -10.3142, -1.71124, 0.77985, 8.60297, 18.3759, 17.596 - 448.15, 8.92602, 0.572549, 10.4889, -10.3142, 1.74814, 1.0934, 12.0624, 19.1352, 18.0417 - 473.15, 15.5493, 0.622769, 15.0761, -10.3142, 7.02345, 1.5716, 17.3377, 20.1414, 18.5698 - 498.15, 25.4972, 0.682036, 22.3385, -10.3142, 15.3752, 2.3287, 25.6894, 21.5309, 19.2022 - 523.15, 39.7617, 0.753389, 34.431, -10.3142, 29.2817, 3.5893, 39.5959, 23.5633, 19.974 - 548.15, 59.4639, 0.842213, 56.0329, -10.3142, 54.124, 5.8412, 64.4382, 26.7855, 20.9443 - 573.15, 85.879, 0.959258, 98.8122, -10.3142, 103.321, 10.301, 113.635, 32.524, 22.2232 - 598.15, 120.51, 1.13023, 198.465, -10.3142, 217.922, 20.689, 228.237, 44.7422, 24.053 - 623.15, 165.294, 1.43872, 494.917, -10.3142, 558.844, 51.593, 569.158, 78.7691, 27.1758 - 323.15, 1.01325, 0.410293, 2.37345, -10.3142, -7.58473, 0.24742, 2.72949, 16.6872, 16.4398 + 273.1, 1.013, 0.3767, 1.506, -10.31, -8.582, 0.15701, 1.732, 16.42, 16.26 + 298.1, 1.013, 0.3914, 1.874, -10.31, -8.159, 0.19539, 2.155, 16.5, 16.3 + 323.1, 1.013, 0.4103, 2.373, -10.31, -7.585, 0.24742, 2.729, 16.69, 16.44 + 348.1, 1.013, 0.4333, 3.07, -10.31, -6.784, 0.32001, 3.53, 16.96, 16.64 + 373.1, 1.014, 0.4606, 4.052, -10.31, -5.655, 0.42236, 4.659, 17.32, 16.9 + 398.1, 2.322, 0.4925, 5.451, -10.31, -4.045, 0.56827, 6.269, 17.79, 17.22 + 423.1, 4.762, 0.5295, 7.481, -10.31, -1.711, 0.77985, 8.603, 18.38, 17.6 + 448.1, 8.926, 0.5726, 10.49, -10.31, 1.748, 1.0934, 12.06, 19.14, 18.04 + 473.1, 15.55, 0.6228, 15.08, -10.31, 7.023, 1.5716, 17.34, 20.14, 18.57 + 498.1, 25.5, 0.682, 22.34, -10.31, 15.38, 2.3287, 25.69, 21.53, 19.2 + 523.1, 39.76, 0.7534, 34.43, -10.31, 29.28, 3.5893, 39.6, 23.56, 19.97 + 548.1, 59.46, 0.8422, 56.03, -10.31, 54.12, 5.8412, 64.44, 26.79, 20.94 + 573.1, 85.88, 0.9593, 98.81, -10.31, 103.3, 10.301, 113.6, 32.52, 22.22 + 598.1, 120.5, 1.13, 198.5, -10.31, 217.9, 20.689, 228.2, 44.74, 24.05 + 623.1, 165.3, 1.439, 494.9, -10.31, 558.8, 51.593, 569.2, 78.77, 27.18 + 323.1, 1.013, 0.4103, 2.373, -10.31, -7.585, 0.24742, 2.729, 16.69, 16.44 Breakdown of Volume Calculation at 323.15 K, 1atm: Species MoleFrac Molal V0 partV (partV - V0) - H2O(L) 0.818703 0 18.2334 18.1515 -0.0819503 - Na+ 0.0906484 6.146 8.34 10.0748 1.73482 - Cl- 0.0906484 6.146 8.34 10.0748 1.73482 - NaCl(s) 1 26.9942 26.9942 0 + H2O(L) 0.8187 0 18.23 18.15 -0.08195 + Na+ 0.09065 6.146 8.34 10.07 1.735 + Cl- 0.09065 6.146 8.34 10.07 1.735 + NaCl(s) 1 26.99 26.99 0 diff --git a/test_problems/cathermo/HMW_graph_VvT/runtest b/test_problems/cathermo/HMW_graph_VvT/runtest new file mode 100755 index 000000000..c3edce8bc --- /dev/null +++ b/test_problems/cathermo/HMW_graph_VvT/runtest @@ -0,0 +1,45 @@ +#!/bin/sh +# +# +temp_success="1" +/bin/rm -f output.txt outputa.txt + +########################################################################## +prog=HMW_graph_VvT +if test ! -x $prog ; then + echo $prog ' does not exist' + exit 1 +fi +########################################################################## +/bin/rm -f test.out test.diff output.txt + +################################################################# +# +CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA +CANTERA_BIN=${CANTERA_BIN:=../../../bin} + +################################################################# + +./$prog HMW_NaCl_sp1977_alt.xml > output.txt +retnStat=$? +if [ $retnStat != "0" ] +then + temp_success="0" + echo "$prog returned with bad status, $retnStat, check output" + exit 1 +fi + +$CANTERA_BIN/exp3to2.sh output.txt > outputa.txt +diff -w outputa.txt output_blessed.txt > diff_test.out +retnStat=$? +if [ $retnStat = "0" ] +then + echo "successful diff comparison on $prog test" + exit 0 +else + echo "unsuccessful diff comparison on $prog test" + echo "FAILED" > csvCode.txt + temp_success="0" + exit 1 +fi +