Convert process initialisation routines to python

CMakeLists.txt

@@ -117,6 +117,7 @@ LIST(APPEND PROCESS_SRCS
     stellarator_variables.f90
     stellarator.f90
     stellarator_configuration.f90
+    input.f90
 )
 
 PREPROCESS()

process/exceptions.py

@@ -0,0 +1,29 @@
+class ProcessException(Exception):
+    """A base Exception to derive other PROCESS exceptions from"""
+
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args)
+        self._diagnostics = kwargs
+
+    def __str__(self):
+        exception_message = super().__str__()
+        diagnostics_message = "\n".join(
+            [f"\t{d}: {repr(v)}" for d, v in self._diagnostics.items()]
+        )
+
+        if diagnostics_message:
+            return f"{exception_message}\n{diagnostics_message}"
+
+        return exception_message
+
+
+class ProcessValidationError(ProcessException):
+    """Exception raised when validating PROCESS input.
+
+    E.g. initial values, constraint/variable combinations, switch combinations"""
+
+    pass
+
+
+class ProcessValueError(ProcessException, ValueError):
+    pass

process/main.py

@@ -73,6 +73,7 @@
 from process.current_drive import CurrentDrive
 from process.impurity_radiation import initialise_imprad
 from process.caller import write_output_files
+import process.init as init
 
 import process
 
@@ -298,8 +299,8 @@ def run(self):
         config = RunProcessConfig(self.config_file)
         config.setup()
 
-        fortran.init_module.init_all_module_vars()
-        fortran.init_module.init()
+        init.init_all_module_vars()
+        init.init_process()
 
         neqns, itervars = get_neqns_itervars()
         lbs, ubs = get_variable_range(itervars, config.factor)
@@ -399,7 +400,7 @@ def init_module_vars():
         This "resets" all module variables to their initialised values, so each
         new run doesn't have any side-effects from previous runs.
         """
-        fortran.init_module.init_all_module_vars()
+        init.init_all_module_vars()
 
     def set_filenames(self):
         """Validate the input filename and create other filenames from it."""
@@ -455,7 +456,7 @@ def initialise():
         """Run the init module to call all initialisation routines."""
         initialise_imprad()
         # Reads in input file
-        fortran.init_module.init()
+        init.init_process()
 
         # Order optimisation parameters (arbitrary order in input file)
         # Ensures consistency and makes output comparisons more straightforward

scripts/vardes.py

@@ -7,6 +7,7 @@
 import numpy as np
 import jinja2
 
+from process.init import init_all_module_vars
 from process import fortran
 
 
@@ -81,7 +82,7 @@ def get_input_output_variables(variables: List[FortranVariable]):
         except AttributeError:
             continue
 
-    fortran.init_module.init_all_module_vars()
+    init_all_module_vars()
 
     for var in variables:
         current_values_entry = f"{var.module}.{var.name}"

source/fortran/init_module.f90

@@ -1,170 +1,43 @@
-#ifndef INSTALLDIR
-#error INSTALLDIR not defined!
-#endif
-
 module init_module
 
+#ifndef dp
+use, intrinsic :: iso_fortran_env, only: dp=>real64
+#endif
+
    implicit none
 
 contains
 
-   subroutine init_all_module_vars
-      !! Initialise all module variables
-      !! This is vital to ensure a 'clean' state of Process before a new run starts,
-      !! otherwise components of the previous run's state can persist into the new
-      !! run. This matters ever since Process is used as a shared library, rather
-      !! than a 'run-once' executable.
-      use numerics, only: init_numerics
-      use process_input, only: init_input
-      use buildings_variables, only: init_buildings_variables
-      use cost_variables, only: init_cost_variables
-      use divertor_variables, only: init_divertor_variables
-      use error_handling, only: init_error_handling
+   subroutine init_fortran_modules
+      !! Temporary routine to call initialisation routines for Fortran modules
+      !! that are not wrapped by f2py and thus cannot be called from Python.
+
       use fson_library, only: init_fson_library
-      use fwbs_variables, only: init_fwbs_variables
-      use global_variables, only: init_global_variables
-      use ccfe_hcpb_module, only: init_ccfe_hcpb_module
-      use heat_transport_variables, only: init_heat_transport_variables
-      use ife_variables, only: init_ife_variables
-      use impurity_radiation_module, only: init_impurity_radiation_module
-      use pfcoil_module, only: init_pfcoil_module
-      use physics_module, only: init_physics_module
-      use physics_variables, only: init_physics_variables
-      use scan_module, only: init_scan_module
-      use sctfcoil_module, only: init_sctfcoil_module
-      use stellarator_module, only: init_stellarator_module
-      use stellarator_variables, only: init_stellarator_variables
-      use tfcoil_variables, only: init_tfcoil_variables
-      use times_variables, only: init_times_variables
-      use constants, only: init_constants
-      use current_drive_variables, only: init_current_drive_variables
-      use primary_pumping_variables, only: init_primary_pumping_variables
-      use pfcoil_variables, only: init_pfcoil_variables
-      use structure_variables, only: init_structure_variables
-      use vacuum_variables, only: init_vacuum_variables
-      use pf_power_variables, only: init_pf_power_variables
-      use build_variables, only: init_build_variables
-      use constraint_variables, only: init_constraint_variables
-      use pulse_variables, only: init_pulse_variables
-      use rebco_variables, only: init_rebco_variables
-      use reinke_variables, only: init_reinke_variables
-      use define_iteration_variables, only: init_define_iteration_variables
-      use reinke_module, only: init_reinke_module
-      use water_usage_variables, only: init_watuse_variables
-      use CS_fatigue_variables, only: init_CS_fatigue_variables
-      use blanket_library, only: init_blanket_library
-      use dcll_module, only: init_dcll_module
-
-      call init_numerics
-      call init_input
-      call init_buildings_variables
-      call init_cost_variables
-      call init_divertor_variables
-      call init_error_handling
-      call init_fson_library
-      call init_fwbs_variables
-      call init_global_variables
-      call init_ccfe_hcpb_module
-      call init_heat_transport_variables
-      call init_ife_variables
-      call init_impurity_radiation_module
-      call init_pfcoil_module
-      call init_physics_module
-      call init_physics_variables
-      call init_scan_module
-      call init_sctfcoil_module
-      call init_stellarator_module
-      call init_stellarator_variables
-      call init_tfcoil_variables
-      call init_times_variables
-      call init_constants
-      call init_current_drive_variables
-      call init_primary_pumping_variables
-      call init_pfcoil_variables
-      call init_structure_variables
-      call init_vacuum_variables
-      call init_pf_power_variables
-      call init_build_variables
-      call init_constraint_variables
-      call init_pulse_variables
-      call init_rebco_variables
-      call init_reinke_variables
-      call init_define_iteration_variables
-      call init_reinke_module
-      call init_watuse_variables
-      call init_CS_fatigue_variables
-      call init_blanket_library
-      call init_dcll_module
-   end subroutine init_all_module_vars
-
-   subroutine init
-
-      !! Routine that calls the initialisation routines
-      !! author: P J Knight, CCFE, Culham Science Centre
-      !! None
-      !! This routine calls the main initialisation routines that set
-      !! the default values for the global variables, reads in data from
-      !! the input file, and checks the run parameters for consistency.
 
-      use global_variables, only: verbose, fileprefix, output_prefix
-      use main_module, only: run_summary
-      use constants, only: opt_file, vfile, nout, nplot, mfile, sig_file
-      use error_handling, only: initialise_error_list
-      use numerics, only: ixc , lablxc, nvar
-      use process_input, only: nin, input
-      use stellarator_module, only: stinit
       implicit none
 
-      !  Arguments
-
-      !  Local variables
-      integer :: i
-
-      ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+      call init_fson_library
 
-      !  Initialise error handling
+   end subroutine init_fortran_modules
 
-      call initialise_error_list
+   subroutine open_files
+      use global_variables, only: verbose, fileprefix, output_prefix
+      use constants, only: nout, mfile
+      use process_input, only: nin
 
-      !  Initialise the program variables
-      call initial
+      implicit none
 
       !  Open the input/output external files
       if (trim(fileprefix) == "") then
          open(unit=nin,file="IN.DAT",status='old')
       else
          open(unit=nin,file=trim(fileprefix),status='old')
       end if
-      ! open(unit=nin,file=trim(fileprefix)//'IN.DAT',status='old')
 
       open(unit=nout     ,file=trim(output_prefix)//'OUT.DAT'   ,status='unknown')
       open(unit=mfile    ,file=trim(output_prefix)//'MFILE.DAT' ,status='unknown')
 
-      !  Input any desired new initial values
-      call input
-
-      !  Initialise stellarator parameters if necessary
-      !  This overrides some of the bounds of the tokamak parameters
-      call stinit
-
-      !  Check input data for errors/ambiguities
-      call check
-
-      !  Write to the output file certain relevant details about this run
-      call run_summary
-
-      !  Open verbose diagnostics file
-      if (verbose == 1) then
-         open(unit=vfile,file=trim(output_prefix)//'VFILE.DAT',status='unknown')
-         write(vfile,'(a80)') 'nviter = number of VMCON iterations.'
-         write(vfile,'(a80)') '(1-mod(ifail,7))=1 indicates that there has '// &
-            'been an escape from a failed line search.'
-         write(vfile,'(a80)') 'odd/even is a convenient plotting bit.'
-         write(vfile,'(100a13)') 'nviter','escape', 'odd/even', 'te','coe','rmajor', &
-            'fusion_power','bt','t_burn','sqsumsq', (lablxc(ixc(i)),i=1,nvar)
-      end if
-
-   end subroutine init
+   end subroutine open_files
 
    subroutine open_idempotence_files
       ! Open new output file and mfile to write output to
@@ -223,5 +96,4 @@ subroutine finish
       close(unit = opt_file)
       if (verbose == 1) close(unit = vfile)
    end subroutine finish
-
 end module init_module