Modified the cxx_ex tests to generate consistent output
This commit is contained in:
Ray Speth
parent
d7a384e25d
commit
9ff2c93615
8 changed files with 141 additions and 55 deletions
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@ -17,7 +17,6 @@
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#endif
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#include <cantera/Cantera.h>
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#include <time.h>
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#include "example_utils.h"
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#include <cantera/equilibrium.h>
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@ -84,7 +83,6 @@ int equil_example1(int job) {
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doublereal tlow = 500.0;
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doublereal dt = (thigh - tlow)/(ntemps);
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doublereal pres = 0.01*OneAtm;
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clock_t t0 = clock();
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for (int i = 0; i < ntemps; i++) {
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temp = tlow + dt*i;
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if (temp > gas.maxTemp()) break;
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@ -97,7 +95,6 @@ int equil_example1(int job) {
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gas.getMoleFractions(&output(2,i));
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}
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clock_t t1 = clock();
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// make a Tecplot data file and an Excel spreadsheet
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string plotTitle = "equilibrium example 1: "
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@ -105,10 +102,6 @@ int equil_example1(int job) {
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plotEquilSoln("eq1.dat", "TEC", plotTitle, gas, output);
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plotEquilSoln("eq1.csv", "XL", plotTitle, gas, output);
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// print timing data
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doublereal tmm = 1.0*(t1 - t0)/CLOCKS_PER_SEC;
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cout << " time = " << tmm << endl << endl;
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cout << "Output files:" << endl
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<< " eq1.csv (Excel CSV file)" << endl
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<< " eq1.dat (Tecplot data file)" << endl;
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@ -19,7 +19,6 @@
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#include <cantera/Cantera.h>
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#include <cantera/zerodim.h>
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#include <cantera/IdealGasMix.h>
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#include <time.h>
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#include "example_utils.h"
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using namespace Cantera;
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using namespace Cantera_CXX;
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@ -101,29 +100,21 @@ int kinetics_example1(int job) {
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saveSoln(0, 0.0, gas, soln);
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// main loop
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clock_t t0 = clock();
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for (int i = 1; i <= nsteps; i++) {
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tm = i*dt;
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sim_ptr->advance(tm);
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saveSoln(tm, gas, soln);
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}
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clock_t t1 = clock();
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// make a Tecplot data file and an Excel spreadsheet
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string plotTitle = "kinetics example 1: constant-pressure ignition";
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plotSoln("kin1.dat", "TEC", plotTitle, gas, soln);
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plotSoln("kin1.csv", "XL", plotTitle, gas, soln);
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// print final temperature and timing data
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doublereal tmm = 1.0*(t1 - t0)/CLOCKS_PER_SEC;
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// print final temperature
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cout << " Tfinal = " << r.temperature() << endl;
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cout << " time = " << tmm << endl;
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cout << " number of residual function evaluations = "
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<< sim_ptr->integrator().nEvals() << endl;
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cout << " time per evaluation = " << tmm/sim_ptr->integrator().nEvals()
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<< endl << endl;
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cout << "Output files:" << endl
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<< " kin1.csv (Excel CSV file)" << endl
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<< " kin1.dat (Tecplot data file)" << endl;
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@ -19,7 +19,6 @@
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#include <cantera/Cantera.h>
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#include <cantera/GRI30.h>
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#include <cantera/zerodim.h>
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#include <time.h>
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#include "example_utils.h"
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using namespace Cantera;
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@ -91,14 +90,11 @@ int kinetics_example2(int job) {
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saveSoln(0, 0.0, gas, soln);
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// main loop
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clock_t t0 = clock();
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for (int i = 1; i <= nsteps; i++) {
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tm = i*dt;
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sim.advance(tm);
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saveSoln(tm, gas, soln);
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}
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clock_t t1 = clock();
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// make a Tecplot data file and an Excel spreadsheet
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string plotTitle = "kinetics example 2: constant-pressure ignition";
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@ -106,14 +102,10 @@ int kinetics_example2(int job) {
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plotSoln("kin2.csv", "XL", plotTitle, gas, soln);
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// print final temperature and timing data
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doublereal tmm = 1.0*(t1 - t0)/CLOCKS_PER_SEC;
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// print final temperature
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cout << " Tfinal = " << r.temperature() << endl;
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cout << " time = " << tmm << endl;
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cout << " number of residual function evaluations = "
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<< sim.integrator().nEvals() << endl;
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cout << " time per evaluation = " << tmm/sim.integrator().nEvals()
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<< endl << endl;
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cout << "Output files:" << endl
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<< " kin2.csv (Excel CSV file)" << endl
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@ -19,7 +19,6 @@
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#include <cantera/Cantera.h>
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#include <cantera/zerodim.h>
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#include <cantera/IdealGasMix.h>
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#include <time.h>
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#include "example_utils.h"
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using namespace Cantera;
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@ -96,14 +95,11 @@ int kinetics_example3(int job) {
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saveSoln(0, 0.0, gas, soln);
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// main loop
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clock_t t0 = clock();
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for (int i = 1; i <= nsteps; i++) {
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tm = i*dt;
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sim.advance(tm);
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saveSoln(tm, gas, soln);
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}
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clock_t t1 = clock();
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// make a Tecplot data file and an Excel spreadsheet
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string plotTitle = "kinetics example 3: constant-pressure ignition";
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@ -111,14 +107,10 @@ int kinetics_example3(int job) {
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plotSoln("kin3.csv", "XL", plotTitle, gas, soln);
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// print final temperature and timing data
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doublereal tmm = 1.0*(t1 - t0)/CLOCKS_PER_SEC;
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// print final temperature
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cout << " Tfinal = " << r.temperature() << endl;
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cout << " time = " << tmm << endl;
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cout << " number of residual function evaluations = "
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<< sim.integrator().nEvals() << endl;
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cout << " time per evaluation = " << tmm/sim.integrator().nEvals()
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<< endl << endl;
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cout << "Output files:" << endl
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<< " kin3.csv (Excel CSV file)" << endl
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<< " kin3.dat (Tecplot data file)" << endl;
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135
test_problems/cxx_ex/output_blessed.txt
Normal file
135
test_problems/cxx_ex/output_blessed.txt
Normal file
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@ -0,0 +1,135 @@
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-----------------------------------
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Cantera C++ examples
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-----------------------------------
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>>>>> example 1
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Description:
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Ignition simulation using class IdealGasMix with file gri30.cti.
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Constant-pressure ignition of a hydrogen/oxygen/nitrogen mixture
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beginning at T = 1001 K and P = 1 atm.
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Cantera version 1.8.x
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Copyright California Institute of Technology, 2002.
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http://www.cantera.org
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Tfinal = 2663.78
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number of residual function evaluations = 1876
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Output files:
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kin1.csv (Excel CSV file)
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kin1.dat (Tecplot data file)
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>>>>> example 2
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Description:
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Ignition simulation using class GRI30.
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Constant-pressure ignition of a hydrogen/oxygen/nitrogen mixture
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beginning at T = 1001 K and P = 1 atm.
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Cantera version 1.8.x
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Copyright California Institute of Technology, 2002.
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http://www.cantera.org
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Tfinal = 2663.78
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number of residual function evaluations = 1970
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Output files:
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kin2.csv (Excel CSV file)
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kin2.dat (Tecplot data file)
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>>>>> example 3
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Description:
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Ignition simulation using class IdealGasMix with file gri30.cti.
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Constant-pressure ignition of a hydrogen/oxygen/nitrogen mixture
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beginning at T = 1001 K and P = 1 atm.
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Cantera version 1.8.x
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Copyright California Institute of Technology, 2002.
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http://www.cantera.org
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Tfinal = 2663.78
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number of residual function evaluations = 1980
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Output files:
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kin3.csv (Excel CSV file)
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kin3.dat (Tecplot data file)
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>>>>> example 4
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Description:
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Chemical equilibrium.
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Equilibrium composition and pressure for a range of temperatures at constant density.
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Cantera version 1.8.x
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Copyright California Institute of Technology, 2002.
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http://www.cantera.org
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**** WARNING ****
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For species SI2H6, discontinuity in s/R detected at Tmid = 1000
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Value computed using low-temperature polynomial: 49.5493.
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Value computed using high-temperature polynomial: 49.7214.
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**** WARNING ****
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For species SI3H8, discontinuity in s/R detected at Tmid = 1000
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Value computed using low-temperature polynomial: 65.9731.
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Value computed using high-temperature polynomial: 66.2781.
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**** WARNING ****
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For species SI2, discontinuity in s/R detected at Tmid = 1000
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Value computed using low-temperature polynomial: 32.8813.
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Value computed using high-temperature polynomial: 32.9489.
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Output files:
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eq1.csv (Excel CSV file)
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eq1.dat (Tecplot data file)
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>>>>> example 5
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Description:
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Mixture-averaged transport properties.
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Viscosity, thermal conductivity, and mixture-averaged
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diffusion coefficients at 2 atm for a range of temperatures
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Cantera version 1.8.x
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Copyright California Institute of Technology, 2002.
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http://www.cantera.org
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Output files:
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tr1.csv (Excel CSV file)
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tr1.dat (Tecplot data file)
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>>>>> example 6
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Description:
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Multicomponent transport properties.
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Viscosity, thermal conductivity, and thermal diffusion
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coefficients at 2 atm for a range of temperatures
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Cantera version 1.8.x
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Copyright California Institute of Technology, 2002.
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http://www.cantera.org
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Output files:
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tr2.csv (Excel CSV file)
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tr2.dat (Tecplot data file)
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@ -18,7 +18,6 @@
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#include <cantera/Cantera.h>
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#include <cantera/zerodim.h>
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#include <time.h>
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#include "example_utils.h"
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#include <cantera/reactionpaths.h>
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#include <cantera/IdealGasMix.h>
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@ -142,17 +141,13 @@ int rxnpath_example1(int job) {
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b.init(rplog, gas); // initialize
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// main loop
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clock_t t0 = clock();
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for (int i = 1; i <= nsteps; i++) {
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tm = i*dt;
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sim.advance(tm);
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writeRxnPathDiagram(tm, b, gas, rplog, rplot);
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}
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clock_t t1 = clock();
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// print final temperature and timing data
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doublereal tmm = 1.0*(t1 - t0)/CLOCKS_PER_SEC;
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cout << " time = " << tmm << endl;
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// print final temperature
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cout << "Output files:" << endl
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<< " rp1.log (log file)" << endl
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<< " rp1.dot (input file for dot)" << endl;
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@ -18,7 +18,6 @@
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#include <cantera/Cantera.h>
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#include <cantera/transport.h>
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#include <time.h>
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#include "example_utils.h"
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#include <cantera/IdealGasMix.h>
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@ -81,7 +80,6 @@ int transport_example1(int job) {
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Array2D output(nsp+3, ntemps);
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// main loop
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clock_t t0 = clock();
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for (int i = 0; i < ntemps; i++) {
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temp = 500.0 + 100.0*i;
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gas.setState_TP(temp, pres);
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@ -90,7 +88,6 @@ int transport_example1(int job) {
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output(2,i) = tr->thermalConductivity();
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tr->getMixDiffCoeffs(&output(3,i));
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}
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clock_t t1 = clock();
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// make a Tecplot data file and an Excel spreadsheet
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string plotTitle = "transport example 1: "
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@ -98,10 +95,7 @@ int transport_example1(int job) {
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plotTransportSoln("tr1.dat", "TEC", plotTitle, gas, output);
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plotTransportSoln("tr1.csv", "XL", plotTitle, gas, output);
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// print final temperature and timing data
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doublereal tmm = 1.0*(t1 - t0)/CLOCKS_PER_SEC;
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cout << " time = " << tmm << endl << endl;
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// print final temperature
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cout << "Output files:" << endl
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<< " tr1.csv (Excel CSV file)" << endl
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<< " tr1.dat (Tecplot data file)" << endl;
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@ -18,7 +18,6 @@
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#include <cantera/Cantera.h>
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#include <cantera/transport.h>
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#include <time.h>
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#include "example_utils.h"
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#include <cantera/equilibrium.h>
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#include <cantera/IdealGasMix.h>
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@ -83,7 +82,6 @@ int transport_example2(int job) {
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Array2D output(nsp+3, ntemps);
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// main loop
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clock_t t0 = clock();
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for (int i = 0; i < ntemps; i++) {
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temp = 500.0 + 100.0*i;
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gas.setState_TP(temp, pres);
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@ -92,7 +90,6 @@ int transport_example2(int job) {
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output(2,i) = tr->thermalConductivity();
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tr->getThermalDiffCoeffs(&output(3,i));
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}
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clock_t t1 = clock();
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// make a Tecplot data file and an Excel spreadsheet
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string plotTitle = "transport example 2: "
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@ -100,10 +97,7 @@ int transport_example2(int job) {
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plotTransportSoln("tr2.dat", "TEC", plotTitle, gas, output);
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plotTransportSoln("tr2.csv", "XL", plotTitle, gas, output);
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// print final temperature and timing data
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doublereal tmm = 1.0*(t1 - t0)/CLOCKS_PER_SEC;
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cout << " time = " << tmm << endl << endl;
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// print final temperature
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cout << "Output files:" << endl
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<< " tr2.csv (Excel CSV file)" << endl
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<< " tr2.dat (Tecplot data file)" << endl;
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