From 7a72431eb9e4d80820a22e8b4e551c8ef55cf374 Mon Sep 17 00:00:00 2001
From: Dave Goodwin <dgg@caltech.edu>
Date: Mon, 24 Dec 2007 16:01:51 +0000
Subject: [PATCH] *** empty log message ***

---
 configure                                  |  6 +--
 configure.in                               |  6 +--
 test_problems/spectroscopy/spectratest.cpp | 61 ++++++++++++++++------
 3 files changed, 52 insertions(+), 21 deletions(-)

diff --git a/configure b/configure
index 45948fdab..b4bef57a9 100755
--- a/configure
+++ b/configure
@@ -2465,10 +2465,10 @@ fi
 #
 # DEBUG_MODE: Specify that additional code be compiled in
 #             that allows more debug printing where available.
-#  default = "y"
+#  default = "n"
 #
-DEBUG_MODE=${DEBUG_MODE:="y"}
-CANTERA_DEBUG_MODE=1
+DEBUG_MODE=${DEBUG_MODE:="n"}
+CANTERA_DEBUG_MODE=0
 if test "$DEBUG_MODE" = "y" -o "$DEBUG_MODE" = "Y" ; then
   cat >>confdefs.h <<\_ACEOF
 #define DEBUG_MODE 1
diff --git a/configure.in b/configure.in
index 687dfdee0..42c07c9e1 100755
--- a/configure.in
+++ b/configure.in
@@ -396,10 +396,10 @@ AC_SUBST(sundials_include)
 #
 # DEBUG_MODE: Specify that additional code be compiled in
 #             that allows more debug printing where available.
-#  default = "y"
+#  default = "n"
 #
-DEBUG_MODE=${DEBUG_MODE:="y"}
-CANTERA_DEBUG_MODE=1
+DEBUG_MODE=${DEBUG_MODE:="n"}
+CANTERA_DEBUG_MODE=0
 if test "$DEBUG_MODE" = "y" -o "$DEBUG_MODE" = "Y" ; then
   AC_DEFINE(DEBUG_MODE)
   CANTERA_DEBUG_MODE="1"
diff --git a/test_problems/spectroscopy/spectratest.cpp b/test_problems/spectroscopy/spectratest.cpp
index dc997ea0b..f72244bc9 100644
--- a/test_problems/spectroscopy/spectratest.cpp
+++ b/test_problems/spectroscopy/spectratest.cpp
@@ -6,20 +6,51 @@ using namespace std;
 using namespace Cantera;
 
 int main() {
-    double B;
-    double T;
-    cout << "enter B, T: ";
-    cin >> B >> T;
-    Rotor* r = new Rotor(B);
-    double theta = wnum_to_J(B)/Boltzmann;
-    cout << "theta = " << theta << endl;
-    double pop, cpop = 0.0;
-    for (int j = 0; j < 50; j++) {
-        pop = r->population(j, T);
-        cpop += pop;
-        if (cpop > 0.999) break;
-        cout << j << ", " << r->energy_w(j) << ", " 
-             << r->frequency(j, j+1) << ", " 
-             << pop << ", " << cpop << ", " << r->partitionFunction(T) << ", " << T/theta << endl;
+//     double B;
+//     double T;
+//     cout << "enter B, T: ";
+//     cin >> B >> T;
+//     Rotor* r = new Rotor(B);
+//     double theta = wnum_to_J(B)/Boltzmann;
+//     cout << "theta = " << theta << endl;
+//     double pop, cpop = 0.0;
+//     for (int j = 0; j < 50; j++) {
+//         pop = r->population(j, T);
+//         cpop += pop;
+//         if (cpop > 0.999) break;
+//         cout << j << ", " << r->energy_w(j) << ", " 
+//              << r->frequency(j, j+1) << ", " 
+//              << pop << ", " << cpop << ", " << r->partitionFunction(T) << ", " << T/theta << endl;
+//     }
+
+    // test line broading classes
+    double gam = 2.0; 
+    double sigma = 10.0;
+
+    LineBroadener* lor = new Lorentzian(gam);
+    LineBroadener* gaus = new Gaussian(sigma);
+    LineBroadener* voig = new Voigt(sigma, gam);
+
+    double nu0 = 1000.0;
+    double dnu = 0.2;
+    double nu;
+    double gw = gaus->width();
+    double sum = 0.0, sumg = 0.0, sumlor = 0.0;
+    for (int n = -1000; n < 1000; n++) {
+        //cout << n << endl;
+        nu = n*dnu;
+        sumg += gaus->profile(nu)*dnu;
+        sum += voig->profile(nu)*dnu;
+        sumlor += lor->profile(nu)*dnu;
+        try {
+            cout << nu << ", " << (*lor)(nu) << ", " << (*gaus)(nu) 
+                 << ", " << (*voig)(nu) << endl;
+        }
+        catch (CanteraError) {
+            showErrors();
+        }
     }
+    cout << "Voigt area = " << sum << endl;
+    cout << "Gaussian area = " << sumg << endl;
+    cout << "Lorentzian area = " << sumlor << endl;
 }