From f4d6969b1172e0ade576d52dcbb2f97c344049cc Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Wed, 3 Sep 2003 20:00:37 +0000 Subject: [PATCH] Rebaselined due to change in units --- test_problems/diamondSurf/runDiamond.cpp | 7 ++--- .../diamondSurf/runDiamond_blessed.out | 28 +++++++++---------- 2 files changed, 17 insertions(+), 18 deletions(-) diff --git a/test_problems/diamondSurf/runDiamond.cpp b/test_problems/diamondSurf/runDiamond.cpp index 738490ed9..648fb3598 100644 --- a/test_problems/diamondSurf/runDiamond.cpp +++ b/test_problems/diamondSurf/runDiamond.cpp @@ -49,18 +49,18 @@ int main(int argc, char** argv) { string path = findInputFile(infile); ctml::get_CTML_Tree(xc, path); - XML_Node * const xg = (XML_Node *) findXMLPhase(xc, "gas"); + XML_Node * const xg = xc->findNameID("phase", "gas"); ThermoPhase *gasTP = newPhase(*xg); int nsp = gasTP->nSpecies(); cout << "Number of species = " << nsp << endl; - XML_Node * const xd = (XML_Node *) findXMLPhase(xc, "diamond"); + XML_Node * const xd = xc->findNameID("phase", "diamond"); ThermoPhase *diamondTP = newPhase(*xd); int nsp_diamond = diamondTP->nSpecies(); cout << "Number of species in diamond = " << nsp_diamond << endl; - XML_Node * const xs = (XML_Node *) findXMLPhase(xc, "diamond_100"); + XML_Node * const xs = xc->findNameID("phase", "diamond_100"); ThermoPhase *diamond100TP = newPhase(*xs); int nsp_d100 = diamond100TP->nSpecies(); cout << "Number of species in diamond_100 = " << nsp_d100 << endl; @@ -133,7 +133,6 @@ int main(int argc, char** argv) { diamond100TP->getMoleFractions(x); cout << "Coverages:" << endl; for (k = 0; k < 8; k++) { - int iii = 3; cout << k << " " << diamond100TP->speciesName(k) << " " << x[k] << endl; diff --git a/test_problems/diamondSurf/runDiamond_blessed.out b/test_problems/diamondSurf/runDiamond_blessed.out index b874439cc..99b87bec7 100644 --- a/test_problems/diamondSurf/runDiamond_blessed.out +++ b/test_problems/diamondSurf/runDiamond_blessed.out @@ -2,11 +2,11 @@ Number of species = 4 Number of species in diamond = 1 Number of species in diamond_100 = 8 Number of reactions = 20 -0 1 -8.95751e-05 -1 2 4.48403e-05 -2 3 -3.51539e-08 +0 1 -8.96125e-05 +1 2 4.48274e-05 +2 3 -1.41433e-08 3 4 nil -4 0 3.51539e-08 +4 0 1.41433e-08 5 2 nil 6 1 nil 7 1 nil @@ -15,14 +15,14 @@ Number of reactions = 20 10 3 nil 11 3 nil 12 2 nil -sum = -2.53573e-21 -growth rate = 0.43183 microns per hour +sum = -1.6718e-20 +growth rate = 0.173736 microns per hour Coverages: -0 c6HH 0.462262 -1 c6H* 0.037052 -2 c6*H 0.474283 -3 c6** 0.0219445 -4 c6HM 0.00174648 -5 c6HM* 2.56272e-05 -6 c6*M 0.00264858 -7 c6B 3.8171e-05 +0 c6HH 0.46339 +1 c6H* 0.0371799 +2 c6*H 0.47592 +3 c6** 0.0223553 +4 c6HM 4.1206e-05 +5 c6HM* 1.03105e-05 +6 c6*M 0.00106559 +7 c6B 3.82635e-05