work in progress on AeroState init

Author: slayoo

examples/condense.ipynb

@@ -9,6 +9,20 @@
     "[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/open-atmos/PyPartMC.git/main?urlpath=lab/tree/examples/condense.ipynb)"
    ]
   },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# This file is a part of PyPartMC licensed under the GNU General Public License v3\n",
+    "# Copyright (C) 2022 University of Illinois Urbana-Champaign\n",
+    "# Based on (GPL v2 code): https://github.com/compdyn/partmc/tree/master/test/condense\n",
+    "# Authors:\n",
+    "#  - https://github.com/compdyn/partmc/graphs/contributors\n",
+    "#  - https://github.com/open-atmos/PyPartMC/graphs/contributors"
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": 1,
@@ -96,7 +110,7 @@
    "outputs": [],
    "source": [
     "N_PART = 44\n",
-    "aero_state = ppmc.AeroState(N_PART)"
+    "aero_state = ppmc.AeroState(N_PART, aero_data)"
    ]
   },
   {

src/aero_state.F90

@@ -27,15 +27,33 @@ subroutine f_aero_state_dtor(ptr_c) bind(C)
     deallocate(ptr_f)
   end subroutine
 
-  subroutine f_aero_state_set_n_part_ideal(ptr_c, n_part) bind(C)
+  subroutine f_aero_state_init(ptr_c, n_part, aero_data_ptr_c) bind(C)
     type(aero_state_t), pointer :: ptr_f => null()
-    type(c_ptr), intent(in) :: ptr_c
+    type(aero_data_t), pointer :: aero_data_ptr_f => null()
+    type(c_ptr), intent(in) :: ptr_c, aero_data_ptr_c
     real(c_double), intent(in) :: n_part
 
     call c_f_pointer(ptr_c, ptr_f)
-    print*, n_part
-    ! TODO
-    !call aero_state_set_n_part_ideal(ptr_f, n_part)
+    call c_f_pointer(aero_data_ptr_c, aero_data_ptr_f)
+
+    call aero_state_zero(ptr_f)
+    call aero_state_set_weight(ptr_f, aero_data_ptr_f, AERO_STATE_WEIGHT_FLAT)
+    call aero_state_set_n_part_ideal(ptr_f, n_part)
+    !call aero_state_add_aero_dist_sample(aero_state, aero_data_ptr_f, &
+    !       aero_dist_init, 1d0, 0d0, &
+    !       .false. & ! TODO run_part_opt%allow_doubling, &
+    !       .false. & ! TODO run_part_opt%allow_halving)
+    !)
+
+  end subroutine
+
+  subroutine f_aero_state_len(ptr_c, len) bind(C)
+    type(aero_state_t), pointer :: ptr_f => null()
+    type(c_ptr), intent(in) :: ptr_c
+    integer(c_int), intent(out) :: len 
+
+    call c_f_pointer(ptr_c, ptr_f)
+    len = aero_state_n_part(ptr_f)
   end subroutine
 
 end module

src/aero_state.hpp

@@ -7,19 +7,30 @@
 #pragma once
 
 #include "pmc_resource.hpp"
+#include "aero_data.hpp"
 
 extern "C" void f_aero_state_ctor(void *ptr) noexcept;
 extern "C" void f_aero_state_dtor(void *ptr) noexcept;
-extern "C" void f_aero_state_set_n_part_ideal(const void *ptr, const double *n_part) noexcept;
-
+extern "C" void f_aero_state_init(
+    const void *ptr,
+    const double *n_part,
+    const void *aero_dataptr
+) noexcept;
+extern "C" void f_aero_state_len(const void *ptr, const int *len) noexcept;
 
 struct AeroState {
     PMCResource ptr;
 
-    AeroState(const double &n_part) :
+    AeroState(const double &n_part, const AeroData &aero_data) :
         ptr(f_aero_state_ctor, f_aero_state_dtor)
     {
-        f_aero_state_set_n_part_ideal(ptr.f_arg(), &n_part);
+        f_aero_state_init(ptr.f_arg(), &n_part, aero_data.ptr.f_arg());
+    }
+
+    static std::size_t __len__(const AeroState &self) {
+        int len;
+        f_aero_state_len(&self.ptr, &len);
+        return len;
     }
 };
 

src/pypartmc.cpp

@@ -79,7 +79,8 @@ PYBIND11_MODULE(PyPartMC, m) {
              is typically cleared each time we output data to disk.
         )pbdoc"
     )
-        .def(py::init<double>())
+        .def(py::init<const double, const AeroData&>())
+        .def("__len__", AeroState::__len__)
     ;
 
     py::class_<GasData>(m, "GasData",

tests/test_aero_state.py

@@ -4,22 +4,36 @@
 # Author: Sylwester Arabas                                                                         #
 ####################################################################################################
 
+import pytest
 import PyPartMC as ppmc
 
+from .test_aero_data import AERO_DATA_CTOR_ARG_MINIMAL
 AERO_STATE_CTOR_ARG_MINIMAL = 44
 
 
 class TestAeroState:
     @staticmethod
     def test_ctor():
         # arrange
+        aero_data = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
 
         # act
-        sut = ppmc.AeroState(AERO_STATE_CTOR_ARG_MINIMAL)
+        sut = ppmc.AeroState(AERO_STATE_CTOR_ARG_MINIMAL, aero_data)
 
         # assert
         assert sut is not None
 
     @staticmethod
-    def test_todo():
-        pass  # TODO
+    @pytest.mark.xfail(strict=True)  # TODO
+    @pytest.mark.parametrize("n_part", (1, 44, 666))
+    def test_len(n_part):
+        # arrange
+        aero_data = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
+        sut = ppmc.AeroState(n_part, aero_data)
+
+        # act
+        size = len(sut)
+
+        # assert
+        assert size == n_part
+

tests/test_condense.py

@@ -18,7 +18,7 @@ def test_equilib_particles():
         # arrange
         env_state = ppmc.EnvState(ENV_STATE_CTOR_ARG_MINIMAL)
         aero_data = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
-        aero_state = ppmc.AeroState(AERO_STATE_CTOR_ARG_MINIMAL)
+        aero_state = ppmc.AeroState(AERO_STATE_CTOR_ARG_MINIMAL, aero_data)
 
         # act
         # ppmc.condense_equilib_particles(env_state, aero_data, aero_state)

tests/test_run_part.py

@@ -19,7 +19,7 @@ def test_args():
         # arrange
         env_state = ppmc.EnvState(ENV_STATE_CTOR_ARG_MINIMAL)
         aero_data = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
-        aero_state = ppmc.AeroState(AERO_STATE_CTOR_ARG_MINIMAL)
+        aero_state = ppmc.AeroState(AERO_STATE_CTOR_ARG_MINIMAL, aero_data)
         gas_data  = ppmc.GasData(GAS_DATA_CTOR_ARG_MINIMAL)
         gas_state  = ppmc.GasState()
         scenario = ppmc.Scenario(gas_data, aero_data, SCENARIO_CTOR_ARG_MINIMAL)