Added ability to specify custom fortran functions that can be called …

…in the mechanism file.

build/mech_converter.py

@@ -302,6 +302,15 @@ def convert_to_fortran(input_file, mech_dir, mcm_vers):
  continue
 
  # -------------------------------------------------
+ # Read in the names of user-defined custom rate functions and add them
+ # to the list of reserved names so that they will be carried through the 
+ # rate definitions (in a similar manner to LOG10)
+ with open(mech_dir + '/customRateFuncs.f90') as custom_func_file:
+ func_def_pat = "function +([a-zA-Z0-9_]*) *\("
+ custom_func_names = re.findall(func_def_pat, custom_func_file.read(), re.I)
+
+ for n in custom_func_names:
+ reservedOtherList.append(n)
 
  # Initialise list, dictionary and a counter.
  mechanism_rates_coeff_list = []
@@ -551,6 +560,7 @@ def convert_to_fortran(input_file, mech_dir, mcm_vers):
 
  subroutine update_p(p, q, TEMP, N2, O2, M, RH, H2O, BLHEIGHT, DEC, JFAC, DILUTE, ROOFOPEN, ASA, J, RO2) bind(c,name='update_p')
 
+ use custom_functions_mod
  integer, parameter :: DP = selected_real_kind( p = 15, r = 307 )
  real(c_double), intent(inout) :: p(*), q(*)
  real(c_double), intent(in) :: TEMP, N2, O2, M, RH, H2O, BLHEIGHT, DEC, JFAC, DILUTE, ROOFOPEN, ASA, J(*), RO2

model/configuration/.gitignore

@@ -1,2 +1,3 @@
 # Ignore auto-generated mechanism files in this directory
 mechanism.*
+customRateFuncs.o

model/configuration/customRateFuncs.f90

@@ -0,0 +1,14 @@
+! ******************************************************************** !
+! ATCHEM2 -- MODULE customRateFunctions
+!
+! This module contains user-defined functions that can be referenced
+! in the mechanism file
+! ******************************************************************** !
+module custom_functions_mod
+ implicit none
+
+contains
+
+ !Define your functions here.
+
+end module custom_functions_mod

tools/install/Makefile.skel

@@ -119,8 +119,9 @@ include tests/makefile.tests
 all: $(AOUT)
 
 sharedlib:
+ $(FORT_COMP) -c $(SHAREDLIBDIR)/customRateFuncs.f90 $(FSHAREDFLAGS) -o $(SHAREDLIBDIR)/customRateFuncs.o -J$(OBJ)
  $(FORT_COMP) -c $(SHAREDLIBDIR)/mechanism.f90 $(FSHAREDFLAGS) -o $(SHAREDLIBDIR)/mechanism.o -J$(OBJ)
- $(FORT_COMP) -shared -o $(SHAREDLIBDIR)/mechanism.so $(SHAREDLIBDIR)/mechanism.o
+ $(FORT_COMP) -shared -o $(SHAREDLIBDIR)/mechanism.so $(SHAREDLIBDIR)/mechanism.o $(SHAREDLIBDIR)/customRateFuncs.o
 
 clean:
  rm -f $(AOUT)