update tchem_interface

src/tchem_interface.F90

@@ -39,19 +39,45 @@ end subroutine pmc_tchem_interface_solve
 
   subroutine tchem_initialize(config_filename, gas_data, gas_state, aero_data)
 
+    use iso_c_binding
+
     character(len=*), intent(in) :: config_filename
     type(gas_data_t), intent(inout) :: gas_data
     type(gas_state_t), intent(inout) :: gas_state
     type(aero_data_t), intent(inout) :: aero_data
+    integer(c_int) :: nSpec
+    integer :: i, j
 
-    integer :: nSpec
-
-    nSpec = 0
+    character(len=5) :: name
+    character(kind=c_char), dimension(5) :: name_data
+    real(kind=c_double), dimension(:), allocatable :: array 
 
+    ! initialize the model
     call initialize(trim(config_filename))
 
-    print*, 'in partmc', nSpec, trim(config_filename)
-
+    ! feedback to PartMC
+    ! what we need:
+    !  - number of gas species
+    !  - name of gas species to set gas_data
+    !  - set the size of gas_state
+    nSpec = TChem_getNumberOfSpecies() 
+    call ensure_string_array_size(gas_data%name, nSpec)
+
+    call gas_state_set_size(gas_state, nSpec)
+
+    ! name of gas species
+    !do i = 1,nSpec
+    !   gas_data%name(i) = "H2O"
+    !end do   
+
+    print*, 'in partmc', nSpec, trim(config_filename), gas_data_n_spec(gas_data)
+
+     allocate(array(nSpec))
+     array = 0.0d0
+     call TChem_getStateVector(array)
+     print*, 'in partmc'
+     print*, array
+     gas_state%mix_rat = array
   end subroutine
 
   subroutine tchem_cleanup()
@@ -60,5 +86,20 @@ subroutine tchem_cleanup()
 
   end subroutine
 
+  subroutine tchem_to_partmc()
+
+    ! Get gas array
+
+  end subroutine
+
+  subroutine tchem_from_partmc(gas_state, gas_data)
+
+    type(gas_data_t), intent(in) :: gas_data
+    ! FIXME: Fix intent later
+    type(gas_state_t), intent(inout) :: gas_state
+
+    gas_state%mix_rat = 0.0d0
+  end subroutine
+
 #endif
 end module pmc_tchem_interface