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[cantera]: adding and updating spectra tests

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This commit is contained in:
Nicholas Malaya 2012-02-07 17:45:05 +00:00
parent 483bcab744
commit 2f197f0dc0
5 changed files with 76 additions and 5 deletions
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4
Cantera/cxx/include/spectra.h
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@ -1,8 +1,8 @@
#ifndef CT_SPECTRA_H_INCL
#define CT_SECTRA_H_INCL
#include "kernel/LineBroadener.h"
#include "kernel/rotor.h"
#include "LineBroadener.h"
#include "rotor.h"
//#include "kernel/AbsorptionLine.h"
#endif

1
configure.ac
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@ -106,6 +106,7 @@ AC_OUTPUT(Makefile \
test_problems/printUtilUnitTest/Makefile \
test_problems/pureFluidTest/Makefile \
test_problems/silane_equil/Makefile \
test_problems/spectroscopy/Makefile \
test_problems/cathermo/Makefile \
test_problems/cathermo/DH_graph_1/Makefile \
test_problems/cathermo/DH_graph_acommon/Makefile \

1
test_problems/Makefile.am
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@ -6,6 +6,7 @@ SUBDIRS = cathermo mixGasTransport ChemEquil_gri_matrix ChemEquil_gri_pairs
SUBDIRS += ChemEquil_ionizedGas ChemEquil_red1 CpJump cxx_ex diamondSurf
SUBDIRS += diamondSurf_dupl fracCoeff multiGasTransport NASA9poly_test
SUBDIRS += negATest printUtilUnitTest pureFluidTest silane_equil
SUBDIRS += spectroscopy
# skipped:

23
test_problems/spectroscopy/Makefile.am Normal file
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@ -0,0 +1,23 @@
cc_sources = spectratest.cpp
INC = -I. -I$(top_builddir)/build/include/
AM_CPPFLAGS = $(INC)
AM_CXXFLAGS = $(AM_CPPFLAGS)
LINK = -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo
LINK += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode
LINK += -lctlapack -lctblas -lctf2c -lctcxx -lm -lctf2c -lstdc++
AM_LDFLAGS = -L$(top_builddir)/build/lib/
LIBS = $(LINK)
bin_PROGRAMS = spectroscopy
library_includedir = $(INC)
#-----------------------
# Cantera DH graph test
#-----------------------
spectroscopy_SOURCES = $(cc_sources)
TESTS_ENVIRONMENT =
TESTS = spectroscopy

52
test_problems/spectroscopy/spectratest.cpp
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@ -1,7 +1,16 @@
/**
* @file spectratest.cpp
*
* $Author: $
* $Date: 2007/05/04 15:18:45 $
* $Revision: 1.3 $
*
* nick adding more useful on 2/7/12
*/
#include "Cantera.h"
#include "spectra.h"
#include "kernel/Nuclei.h"
#include "Nuclei.h"
#include <iostream>
using namespace std;
using namespace CanteraSpectra;
@ -13,6 +22,11 @@ int main() {
if (*a == *b) {
cout << "a and b and indistinguishable" << endl;
}
else
{
cout << "\nwhy are a and b not indistinguishable?\n";
return 1;
}
// test line broading classes
double gam = 2.0e0;
@ -32,10 +46,42 @@ int main() {
sumg += gaus->profile(nu)*dnu;
sum += voig->profile(nu)*dnu;
sumlor += lor->profile(nu)*dnu;
cout << nu << ", " << (*lor)(nu) << ", " << (*gaus)(nu)
<< ", " << (*voig)(nu) << endl;
//cout << nu << ", " << (*lor)(nu) << ", " << (*gaus)(nu)
// << ", " << (*voig)(nu) << endl;
}
/* old output
cout << "Voigt area = " << sum << endl;
cout << "Gaussian area = " << sumg << endl;
cout << "Lorentzian area = " << sumlor << endl;
*/
// 'blessed' output:
// Voigt area = 0.99363
// Gaussian area = 1
// Lorentzian area = 0.993634
// guessing a sane tolerance
double TOL = .0001;
if(abs(sum-.99363) > TOL)
{
cout << "\nVOIGT AREA REGRESSION TEST FAILURE\n";
return 1;
}
if(abs(sumg-1.0) > TOL)
{
cout << "\nGAUSSIAN AREA REGRESSION TEST FAILURE\n";
return 1;
}
if(abs(sumlor-.993634) > TOL)
{
cout << "\nLORENTZIAN AREA REGRESSION TEST FAILURE\n";
return 1;
}
// steady as she goes
return 0;
}