Merge pull request #5 from srebughini/api

C++ API and Elapsed time

.gitignore

@@ -4,6 +4,10 @@ Asali
 __*
 API/C/example
 API/C/database-generator
+API/Cpp/example
+API/Cpp/database-generator
 API/Fortran/example
 API/Fortran/database-generator
 API/Fortran/*.mod
+API/elapsedTimeComparison/*.mod
+API/elapsedTimeComparison/asali-*

API/C/Asali.c

@@ -64,7 +64,6 @@ void set_temperature(Asali* asali_, double T)
         asali_->hmole_mix_updated_  = false;
         asali_->hmass_mix_updated_  = false;
         asali_->smole_mix_updated_  = false;
-        asali_->smass_mix_updated_  = false;
     }
 }
 
@@ -90,7 +89,6 @@ void set_pressure(Asali* asali_, double P)
         asali_->hmole_mix_updated_  = false;
         asali_->hmass_mix_updated_  = false;
         asali_->smole_mix_updated_  = false;
-        asali_->smass_mix_updated_  = false;
     }
 }
 
@@ -116,7 +114,6 @@ void set_number_of_species(Asali* asali_,int NC)
         asali_->hmole_mix_updated_  = false;
         asali_->hmass_mix_updated_  = false;
         asali_->smole_mix_updated_  = false;
-        asali_->smass_mix_updated_  = false;
         resize(asali_,NC);
     }
 }
@@ -161,7 +158,6 @@ void set_species_names(Asali* asali_,AsaliVector names)
         asali_->hmole_mix_updated_  = false;
         asali_->hmass_mix_updated_  = false;
         asali_->smole_mix_updated_  = false;
-        asali_->smass_mix_updated_  = false;
     }
     else
     {
@@ -203,7 +199,6 @@ void set_mass_fraction(Asali* asali_,AsaliVector y)
         asali_->hmole_mix_updated_  = false;
         asali_->hmass_mix_updated_  = false;
         asali_->smole_mix_updated_  = false;
-        asali_->smass_mix_updated_  = false;
     }
     else
     {
@@ -244,7 +239,6 @@ void set_mole_fraction(Asali* asali_,AsaliVector x)
         asali_->hmole_mix_updated_  = false;
         asali_->hmass_mix_updated_  = false;
         asali_->smole_mix_updated_  = false;
-        asali_->smass_mix_updated_  = false;
     }
     else
     {
@@ -505,7 +499,6 @@ void species_h_(Asali* asali_)
     }
 }
 
-
 void species_s_(Asali* asali_)
 {
     if ( !asali_->s_updated_ )
@@ -533,14 +526,15 @@ void species_s_(Asali* asali_)
                   + asali_->thermo_[idx].high[6];
             }
 
-            set_vector_element_from_double(&asali_->s_mole_,i,s*8314.); //J/kmol/K
-            set_vector_element_from_double(&asali_->s_mass_,i,s*8314/get_vector_element_as_double(&asali_->MW_,i)); //J/kg/K
+            s = 8314.*(s - log(asali_->P_*get_vector_element_as_double(&asali_->x_,i)/1.0e05));
+
+            set_vector_element_from_double(&asali_->s_mole_,i,s); //J/kmol/K
+            set_vector_element_from_double(&asali_->s_mass_,i,s/get_vector_element_as_double(&asali_->MW_,i)); //J/kg/K
         }
         asali_->s_updated_ = true;
     }
 }
 
-
 double get_mixture_thermal_conductivity(Asali* asali_) //[W/m/K]
 {
     if ( !asali_->cond_mix_updated_ )
@@ -720,17 +714,7 @@ double get_mixture_molar_entropy(Asali* asali_)
 
 double get_mixture_mass_entropy(Asali* asali_)
 {
-    if ( !asali_->smass_mix_updated_ )
-    {
-        species_s_(asali_);
-        asali_->smass_mix_ = 0.;
-        for (int i=0;i<asali_->NC_;i++)
-        {
-            asali_->smass_mix_ = asali_->smass_mix_ + get_vector_element_as_double(&asali_->y_,i)*get_vector_element_as_double(&asali_->s_mass_,i);
-        }
-        asali_->smass_mix_updated_ = true;
-    }
-
+    asali_->smass_mix_ = get_mixture_molar_entropy(asali_)/asali_->MWmix_;
     return asali_->smass_mix_;
 }
 
@@ -789,7 +773,6 @@ void initialize(Asali* asali_)
     asali_->hmole_mix_updated_  = false;
     asali_->hmass_mix_updated_  = false;
     asali_->smole_mix_updated_  = false;
-    asali_->smass_mix_updated_  = false;
 
     asali_->pi_ = 3.14159265358979323846;
 

API/C/Asali.h

@@ -116,7 +116,6 @@ typedef struct
     bool   hmole_mix_updated_;
     bool   hmass_mix_updated_;
     bool   smole_mix_updated_;
-    bool   smass_mix_updated_;
 
     AsaliVector name_;
     AsaliVector index_;

API/C/compile.sh

@@ -1,9 +1,5 @@
-echo "Database"
 rm -f database-generator
 gcc database-generator.c -o database-generator
-./database-generator
 
-echo "Example"
 rm -f example
 gcc example.c AsaliVector.c AsaliMatrix.c Asali.c -lm -o example
-./example

API/C/thermo.H

@@ -9178,6 +9178,26 @@ void thermo_update(Asali* asali_)
 		asali_->thermo_[435].low[5] = 6.0020937500e+04;
 		asali_->thermo_[435].low[6] = 2.9624124527e+01;
 
+		asali_->thermo_[436].name = (char*) malloc(7 * sizeof(char));
+		strcpy(asali_->thermo_[436].name,"BENZYNE");
+
+		asali_->thermo_[436].high = (float*) malloc(7 * sizeof(float));
+		asali_->thermo_[436].high[0] = 1.0946581841e+01;
+		asali_->thermo_[436].high[1] = 1.5037324280e-02;
+		asali_->thermo_[436].high[2] = -5.2784494073e-06;
+		asali_->thermo_[436].high[3] = 8.1460760359e-10;
+		asali_->thermo_[436].high[4] = -4.4907335500e-14;
+		asali_->thermo_[436].high[5] = 5.0330140625e+04;
+		asali_->thermo_[436].high[6] = -3.5378292084e+01;
+
+		asali_->thermo_[436].low = (float*) malloc(7 * sizeof(float));
+		asali_->thermo_[436].low[0] = -3.7379617691e+00;
+		asali_->thermo_[436].low[1] = 5.6993164122e-02;
+		asali_->thermo_[436].low[2] = -5.0231134082e-05;
+		asali_->thermo_[436].low[3] = 2.2220648432e-08;
+		asali_->thermo_[436].low[4] = -3.8674146351e-12;
+		asali_->thermo_[436].low[5] = 5.4441812500e+04;
+		asali_->thermo_[436].low[6] = 4.0407081604e+01;
 
 		asali_->thermo_[437].name = (char*) malloc(8 * sizeof(char));
 		strcpy(asali_->thermo_[437].name,"NC10MOOH");