[newchem-cpp] convert solve_chemistry.{c->cpp} and calculate_*.{c->cpp}

.clang-format-ignore

@@ -11,11 +11,11 @@
 
 src/clib/c_wrappers/wrap_interpolators_g.c
 src/clib/calc_tdust_3d.cpp
-src/clib/calculate_cooling_time.c
-src/clib/calculate_dust_temperature.c
-src/clib/calculate_gamma.c
-src/clib/calculate_pressure.c
-src/clib/calculate_temperature.c
+src/clib/calculate_cooling_time.cpp
+src/clib/calculate_dust_temperature.cpp
+src/clib/calculate_gamma.cpp
+src/clib/calculate_pressure.cpp
+src/clib/calculate_temperature.cpp
 src/clib/chemistry_solver_funcs.hpp
 src/clib/cie_thin_cooling_rate_tables.h
 src/clib/cool1d_multi_g-cpp.C
@@ -42,7 +42,7 @@ src/clib/interpolate.hpp
 src/clib/phys_constants.h
 src/clib/rate_functions.c
 src/clib/set_default_chemistry_parameters.c
-src/clib/solve_chemistry.c
+src/clib/solve_chemistry.cpp
 src/clib/solve_rate_cool_g-cpp.cpp
 src/clib/status_reporting.c
 src/clib/status_reporting.h

src/clib/CMakeLists.txt

@@ -82,19 +82,13 @@ configure_file(auto_general.c.in auto_general.c @ONLY)
 add_library(Grackle_Grackle
 
   # C source files
-  calculate_cooling_time.c
-  calculate_dust_temperature.c
-  calculate_gamma.c
-  calculate_pressure.c
-  calculate_temperature.c
   dynamic_api.c
   grackle_units.c
   index_helper.c
   initialize_cloudy_data.c initialize_cloudy_data.h
   initialize_UVbackground_data.c  initialize_UVbackground_data.h
   rate_functions.c
   set_default_chemistry_parameters.c
-  solve_chemistry.c
   status_reporting.c status_reporting.h
   update_UVbackground_rates.c
   utils.c
@@ -107,6 +101,11 @@ add_library(Grackle_Grackle
   # C++ Source (and Private Header Files)
   calc_tdust_3d.cpp calc_tdust_3d.h
   calc_temp_cloudy_g.cpp calc_temp_cloudy_g.h
+  calculate_cooling_time.cpp
+  calculate_dust_temperature.cpp
+  calculate_gamma.cpp
+  calculate_pressure.cpp
+  calculate_temperature.cpp
   ceiling_species.hpp
   collisional_rate_props.cpp collisional_rate_props.hpp
   cool1d_multi_g.cpp cool1d_multi_g.hpp
@@ -121,6 +120,7 @@ add_library(Grackle_Grackle
   make_consistent.cpp make_consistent.hpp
   opaque_storage.hpp
   rate_utils.cpp
+  solve_chemistry.cpp
   scale_fields.cpp scale_fields.hpp
   solve_rate_cool_g-cpp.cpp solve_rate_cool_g-cpp.h
   step_rate_newton_raphson.hpp

src/clib/calculate_cooling_time.c → src/clib/calculate_cooling_time.cpp

@@ -11,38 +11,30 @@
 / software.
 ************************************************************************/
 
-#include <stdlib.h>
-#include <stdio.h>
-#include <math.h>
+#include <cstdio>
 #include "grackle.h"
-#include "grackle_macros.h"
 #include "cool_multi_time_g.h"
-#include "grackle_types.h"
 #include "internal_units.h"
-#include "phys_constants.h"
 #include "utils.h"
 
-extern chemistry_data *grackle_data;
-extern chemistry_data_storage grackle_rates;
-
 /* function prototypes */
 
-int update_UVbackground_rates(chemistry_data *my_chemistry,
-                              chemistry_data_storage *my_rates,
-                              photo_rate_storage *my_uvb_rates,
-                              code_units *my_units);
+extern "C" int update_UVbackground_rates(chemistry_data *my_chemistry,
+                                         chemistry_data_storage *my_rates,
+                                         photo_rate_storage *my_uvb_rates,
+                                         code_units *my_units);
 
-int local_calculate_cooling_time(chemistry_data *my_chemistry,
-                                 chemistry_data_storage *my_rates,
-                                 code_units *my_units,
-                                 grackle_field_data *my_fields,
-                                 gr_float *cooling_time)
+extern "C" int local_calculate_cooling_time(chemistry_data *my_chemistry,
+                                            chemistry_data_storage *my_rates,
+                                            code_units *my_units,
+                                            grackle_field_data *my_fields,
+                                            gr_float *cooling_time)
 {
 
   /* Return if this doesn't concern us. */
 
   if (!my_chemistry->use_grackle)
-    return SUCCESS;
+    return GR_SUCCESS;
 
   /* Update UV background rates. */
   photo_rate_storage my_uvb_rates;
@@ -56,9 +48,9 @@ int local_calculate_cooling_time(chemistry_data *my_chemistry,
 
   if (my_chemistry->UVbackground == 1) {
     if (update_UVbackground_rates(my_chemistry, my_rates,
-                                  &my_uvb_rates, my_units) == FAIL) {
-      fprintf(stderr, "Error in update_UVbackground_rates.\n");
-      return FAIL;
+                                  &my_uvb_rates, my_units) != GR_SUCCESS) {
+      std::fprintf(stderr, "Error in update_UVbackground_rates.\n");
+      return GR_FAIL;
     }
   }
   else {
@@ -81,17 +73,14 @@ int local_calculate_cooling_time(chemistry_data *my_chemistry,
   }
 
   /* Check for a metal field. */
-
-  int metal_field_present = TRUE;
-  if (my_fields->metal_density == NULL)
-    metal_field_present = FALSE;
+  int metal_field_present = (my_fields->metal_density != NULL) ? TRUE : FALSE;
 
   InternalGrUnits internalu = new_internalu_(my_units);
 
   /* Error checking for H2 shielding approximation */
   if (self_shielding_err_check(my_chemistry, my_fields,
-                               "local_calculate_temperature") == FAIL) {
-    return FAIL;
+                               "local_calculate_temperature") != GR_SUCCESS) {
+    return GR_FAIL;
   }
 
   /* Solve cooling equations. */
@@ -100,17 +89,17 @@ int local_calculate_cooling_time(chemistry_data *my_chemistry,
     my_fields, my_uvb_rates
   );
 
-  return SUCCESS;
+  return GR_SUCCESS;
 }
 
-int calculate_cooling_time(code_units *my_units,
-                           grackle_field_data *my_fields,
-                           gr_float *cooling_time)
+extern "C" int calculate_cooling_time(code_units *my_units,
+                                      grackle_field_data *my_fields,
+                                      gr_float *cooling_time)
 {
   if (local_calculate_cooling_time(grackle_data, &grackle_rates, my_units,
-                                   my_fields, cooling_time) == FAIL) {
-    fprintf(stderr, "Error in local_calculate_cooling_time.\n");
-    return FAIL;
+                                   my_fields, cooling_time) != GR_SUCCESS) {
+    std::fprintf(stderr, "Error in local_calculate_cooling_time.\n");
+    return GR_FAIL;
   }
-  return SUCCESS;
+  return GR_SUCCESS;
 }

src/clib/calculate_dust_temperature.c → src/clib/calculate_dust_temperature.cpp

@@ -11,27 +11,22 @@
 / software.
 ************************************************************************/
 
-#include <stdlib.h>
-#include <stdio.h>
-#include <math.h>
+#include <cstdio>
 #include "calc_tdust_3d.h"
 #include "grackle.h"
-#include "grackle_macros.h"
 #include "internal_units.h"
-#include "phys_constants.h"
 
-int local_calculate_dust_temperature(chemistry_data *my_chemistry,
-                                     chemistry_data_storage *my_rates,
-                                     code_units *my_units,
-                                     grackle_field_data *my_fields,
-                                     gr_float *dust_temperature)
+extern "C" int local_calculate_dust_temperature(
+    chemistry_data *my_chemistry, chemistry_data_storage *my_rates,
+    code_units *my_units, grackle_field_data *my_fields,
+    gr_float *dust_temperature)
 {
 
   if (!my_chemistry->use_grackle)
-    return SUCCESS;
+    return GR_SUCCESS;
 
   if (my_chemistry->dust_chemistry < 1 && my_chemistry->h2_on_dust < 1)
-    return SUCCESS;
+    return GR_SUCCESS;
 
   InternalGrUnits internalu = new_internalu_(my_units);
 
@@ -43,35 +38,36 @@ int local_calculate_dust_temperature(chemistry_data *my_chemistry,
 
   /* Compute the size of the fields. */
 
-  int i, dim, size = 1;
-  for (dim = 0; dim < my_fields->grid_rank; dim++)
+  int size = 1;
+  for (int dim = 0; dim < my_fields->grid_rank; dim++) {
     size *= my_fields->grid_dimension[dim];
+  }
 
-  gr_float *temperature = malloc(size * sizeof(gr_float));
+  gr_float *temperature = new gr_float[size];
   if (local_calculate_temperature(my_chemistry, my_rates, my_units,
-                                  my_fields, temperature) == FAIL) {
-    fprintf(stderr, "Error in local_calculate_temperature.\n");
-    return FAIL;
+                                  my_fields, temperature) != GR_SUCCESS) {
+    std::fprintf(stderr, "Error in local_calculate_temperature.\n");
+    return GR_FAIL;
   }
 
   calc_tdust_3d_g(
     temperature, dust_temperature, metal_field_present, my_chemistry, my_rates,
     my_fields, internalu
   );
-  free(temperature);
+  delete[] temperature;
 
-  return SUCCESS;
+  return GR_SUCCESS;
 }
 
-int calculate_dust_temperature(code_units *my_units,
-                               grackle_field_data *my_fields,
-                               gr_float *dust_temperature)
+extern "C" int calculate_dust_temperature(code_units *my_units,
+                                          grackle_field_data *my_fields,
+                                          gr_float *dust_temperature)
 {
   if (local_calculate_dust_temperature(
           grackle_data, &grackle_rates, my_units,
-          my_fields, dust_temperature) == FAIL) {
-    fprintf(stderr, "Error in local_calculate_dust_temperature.\n");
-    return FAIL;
+          my_fields, dust_temperature) != GR_SUCCESS) {
+    std::fprintf(stderr, "Error in local_calculate_dust_temperature.\n");
+    return GR_FAIL;
   }
-  return SUCCESS;
+  return GR_SUCCESS;
 }

src/clib/calculate_gamma.c → src/clib/calculate_gamma.cpp

@@ -11,36 +11,24 @@
 / software.
 ************************************************************************/
 
-#include <stdlib.h>
-#include <stdio.h>
-#include <math.h>
-#include "grackle_macros.h"
-#include "grackle_types.h"
-#include "grackle_chemistry_data.h"
+#include <cstdio>
+#include <cmath>
+#include "grackle.h"
 #include "phys_constants.h"
 #include "index_helper.h"
 #ifdef _OPENMP
 #include <omp.h>
 #endif
 
-extern chemistry_data *grackle_data;
-extern chemistry_data_storage grackle_rates;
-
-int local_calculate_temperature(chemistry_data *my_chemistry,
-                                chemistry_data_storage *my_rates,
-                                code_units *my_units,
-                                grackle_field_data *my_fields,
-                                gr_float *temperature);
-
-int local_calculate_gamma(chemistry_data *my_chemistry,
-                          chemistry_data_storage *my_rates,
-                          code_units *my_units,
-                          grackle_field_data *my_fields,
-                          gr_float *my_gamma)
+extern "C" int local_calculate_gamma(chemistry_data *my_chemistry,
+                                     chemistry_data_storage *my_rates,
+                                     code_units *my_units,
+                                     grackle_field_data *my_fields,
+                                     gr_float *my_gamma)
 {
 
   if (!my_chemistry->use_grackle)
-    return SUCCESS;
+    return GR_SUCCESS;
 
   const grackle_index_helper ind_helper = build_index_helper_(my_fields);
   int outer_ind, index;
@@ -63,9 +51,9 @@ int local_calculate_gamma(chemistry_data *my_chemistry,
     /* Compute the temperature first. */
 
     if (local_calculate_temperature(my_chemistry, my_rates, my_units,
-                                    my_fields, my_gamma) == FAIL) {
-      fprintf(stderr, "Error in local_calculate_temperature.\n");
-      return FAIL;
+                                    my_fields, my_gamma) != GR_SUCCESS) {
+      std::fprintf(stderr, "Error in local_calculate_temperature.\n");
+      return GR_FAIL;
     }
 
     /* Compute Gamma with molecular Hydrogen formula from Omukau \& Nishi
@@ -107,7 +95,7 @@ int local_calculate_gamma(chemistry_data *my_chemistry,
 	if (nH2 / number_density > 1e-3) {
 	  x = 6100.0 / my_gamma[index];
 	  if (x < 10.0)
-	    GammaH2Inverse = 0.5*(5 + 2.0 * x*x * exp(x)/POW(exp(x)-1.0,2));
+	    GammaH2Inverse = 0.5*(5 + 2.0 * x*x * std::exp(x)/std::pow(std::exp(x)-1.0,2.));
 	}
 
 	/* Add in H2. */
@@ -120,17 +108,17 @@ int local_calculate_gamma(chemistry_data *my_chemistry,
 
   } // end: if (my_chemistry->primordial_chemistry > 1)
 
-  return SUCCESS;
+  return GR_SUCCESS;
 }
 
-int calculate_gamma(code_units *my_units,
-                    grackle_field_data *my_fields,
-                    gr_float *my_gamma)
+extern "C" int calculate_gamma(code_units *my_units,
+                               grackle_field_data *my_fields,
+                               gr_float *my_gamma)
 {
   if (local_calculate_gamma(grackle_data, &grackle_rates, my_units,
-                            my_fields, my_gamma) == FAIL) {
+                            my_fields, my_gamma) != GR_SUCCESS) {
     fprintf(stderr, "Error in local_calculate_gamma.\n");
-    return FAIL;
+    return GR_FAIL;
   }
-  return SUCCESS;
+  return GR_SUCCESS;
 }