Merge pull request #145 from slayoo/camp

add CAMP-related args to run_part

Author: slayoo

CMakeLists.txt

@@ -39,6 +39,7 @@ set(PyPartMC_sources
   pypartmc.cpp gimmicks.cpp fake_netcdf.cpp fake_mpi.cpp fake_spec_file.cpp
   run_part.F90 run_part_opt.F90 util.F90 aero_data.F90 aero_state.F90 env_state.F90 gas_data.F90 
   gas_state.F90 scenario.F90 condense.F90 aero_particle.F90 bin_grid.F90
+  camp_core.F90 photolysis.F90
 )
 add_prefix(src/ PyPartMC_sources)
 

src/camp_core.F90

@@ -0,0 +1,30 @@
+!###################################################################################################
+! This file is a part of PyPartMC licensed under the GNU General Public License v3 (LICENSE file)  #
+! Copyright (C) 2022 University of Illinois Urbana-Champaign                                       #
+! Authors: https://github.com/open-atmos/PyPartMC/graphs/contributors                              #
+!###################################################################################################
+
+module PyPartMC_camp_core
+    use iso_c_binding
+    use camp_camp_core
+    implicit none
+
+    contains
+
+    subroutine f_camp_core_ctor(ptr_c) bind(C)
+        type(camp_core_t), pointer :: ptr_f => null()
+        type(c_ptr), intent(out) :: ptr_c
+
+        ptr_f => camp_core_t()
+        call ptr_f%initialize()
+        ptr_c = c_loc(ptr_f)
+    end subroutine
+
+    subroutine f_camp_core_dtor(ptr_c) bind(C)
+        type(camp_core_t), pointer :: ptr_f => null()
+        type(c_ptr), intent(in) :: ptr_c
+
+        call c_f_pointer(ptr_c, ptr_f)
+        deallocate(ptr_f)
+    end subroutine
+end module

src/camp_core.hpp

@@ -0,0 +1,22 @@
+/*##################################################################################################
+# This file is a part of PyPartMC licensed under the GNU General Public License v3 (LICENSE file)  #
+# Copyright (C) 2022 University of Illinois Urbana-Champaign                                       #
+# Authors: https://github.com/open-atmos/PyPartMC/graphs/contributors                              #
+##################################################################################################*/
+
+#pragma once
+
+#include "gimmicks.hpp"
+#include "pmc_resource.hpp"
+
+extern "C" void f_camp_core_ctor(void *ptr) noexcept;
+extern "C" void f_camp_core_dtor(void *ptr) noexcept;
+
+struct CampCore {
+    PMCResource ptr;
+
+    CampCore() :
+        ptr(f_camp_core_ctor, f_camp_core_dtor)
+    {
+    }
+};

src/env_state.F90

@@ -7,6 +7,7 @@
 module PyPartMC_env_state
     use iso_c_binding
     use pmc_env_state
+    use camp_env_state, only: camp_env_state_t => env_state_t
     implicit none
 
     contains

src/photolysis.F90

@@ -0,0 +1,29 @@
+!###################################################################################################
+! This file is a part of PyPartMC licensed under the GNU General Public License v3 (LICENSE file)  #
+! Copyright (C) 2022 University of Illinois Urbana-Champaign                                       #
+! Authors: https://github.com/open-atmos/PyPartMC/graphs/contributors                              #
+!###################################################################################################
+
+module PyPartMC_photolysis
+    use iso_c_binding
+    use pmc_photolysis
+    implicit none
+
+    contains
+
+    subroutine f_photolysis_ctor(ptr_c) bind(C)
+        type(photolysis_t), pointer :: ptr_f => null()
+        type(c_ptr), intent(out) :: ptr_c
+
+        allocate(ptr_f)
+        ptr_c = c_loc(ptr_f)
+    end subroutine
+
+    subroutine f_photolysis_dtor(ptr_c) bind(C)
+        type(photolysis_t), pointer :: ptr_f => null()
+        type(c_ptr), intent(in) :: ptr_c
+
+        call c_f_pointer(ptr_c, ptr_f)
+        deallocate(ptr_f)
+    end subroutine
+end module

src/photolysis.hpp

@@ -0,0 +1,22 @@
+/*##################################################################################################
+# This file is a part of PyPartMC licensed under the GNU General Public License v3 (LICENSE file)  #
+# Copyright (C) 2022 University of Illinois Urbana-Champaign                                       #
+# Authors: https://github.com/open-atmos/PyPartMC/graphs/contributors                              #
+##################################################################################################*/
+
+#pragma once
+
+#include "gimmicks.hpp"
+#include "pmc_resource.hpp"
+
+extern "C" void f_photolysis_ctor(void *ptr) noexcept;
+extern "C" void f_photolysis_dtor(void *ptr) noexcept;
+
+struct Photolysis {
+    PMCResource ptr;
+
+    Photolysis() :
+        ptr(f_photolysis_ctor, f_photolysis_dtor)
+    {
+    }
+};

src/pypartmc.cpp

@@ -18,6 +18,8 @@
 #include "gas_state.hpp"
 #include "condense.hpp"
 #include "bin_grid.hpp"
+#include "camp_core.hpp"
+#include "photolysis.hpp"
 
 #define STRINGIFY(x) #x
 #define MACRO_STRINGIFY(x) STRINGIFY(x)
@@ -172,6 +174,24 @@ PYBIND11_MODULE(_PyPartMC, m) {
         .def_property("pressure", &EnvState::get_pressure, &EnvState::set_pressure)
     ;
 
+    py::class_<Photolysis>(m,
+        "Photolysis",
+        R"pbdoc(
+            PartMC interface to a photolysis module
+        )pbdoc"
+    )
+        .def(py::init<>())
+    ;
+
+    py::class_<CampCore>(m,
+        "CampCore",
+        R"pbdoc(
+            An interface between PartMC and the CAMP
+        )pbdoc"
+    )
+        .def(py::init<>())
+    ;
+
     py::class_<Scenario>(m,
         "Scenario",
         R"pbdoc(
@@ -291,9 +311,11 @@ PYBIND11_MODULE(_PyPartMC, m) {
         "AeroState",
         "AeroParticle",
         "BinGrid",
+        "CampCore",
         "EnvState",
         "GasData",
         "GasState",
+        "Photolysis",
         "RunPartOpt",
         "Scenario",
         "condense_equilib_particles",

src/run_part.hpp

@@ -12,6 +12,8 @@
 #include "gas_state.hpp"
 #include "run_part_opt.hpp"
 #include "scenario.hpp"
+#include "camp_core.hpp"
+#include "photolysis.hpp"
 
 extern "C" void f_run_part(
     const void*,
@@ -20,6 +22,8 @@ extern "C" void f_run_part(
     const void*,
     const void*,
     const void*,
+    const void*,
+    const void*,
     const void*
 ) noexcept;
 
@@ -30,7 +34,9 @@ void run_part(
     const AeroState &aero_state,
     const GasData &gas_data,
     const GasState &gas_state,
-    const RunPartOpt &run_part_opt
+    const RunPartOpt &run_part_opt,
+    const CampCore &camp_core,
+    const Photolysis &photolysis
 ) {
     f_run_part(
         scenario.ptr.f_arg(),
@@ -39,7 +45,9 @@ void run_part(
         aero_state.ptr.f_arg(),
         gas_data.ptr.f_arg(),
         gas_state.ptr.f_arg(),
-        run_part_opt.ptr.f_arg()
+        run_part_opt.ptr.f_arg(),
+        camp_core.ptr.f_arg(),
+        photolysis.ptr.f_arg()
     );
 }
 

src/run_part_opt.F90

@@ -48,6 +48,8 @@ subroutine f_run_part_opt_from_json(ptr_c) bind(C)
         call spec_file_read_logical(file, 'allow_doubling', run_part_opt%allow_doubling)
         call spec_file_read_logical(file, 'allow_halving', run_part_opt%allow_halving)
 
+        call spec_file_read_logical(file, 'do_camp_chem', run_part_opt%do_camp_chem)
+
         run_part_opt%output_type = OUTPUT_TYPE_SINGLE
 
     end subroutine

tests/test_dtors.py

@@ -17,7 +17,9 @@
     pytest.param(ppmc.AeroParticle(
         ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL),
         [0]
-    ), id='AeroParticle')
+    ), id='AeroParticle'),
+    pytest.param(ppmc.Photolysis(), id='Photolysis'),
+    pytest.param(ppmc.CampCore(), id='CampCore')
 ))
 def test_dtors(sut):  # pylint: disable=unused-argument
     # arrange