Merge pull request #154 from zdaq12/debug

adding aero_particle_solute_kappa()

Author: slayoo

src/aero_particle.F90

@@ -181,4 +181,16 @@ subroutine f_aero_particle_species_masses( &
     masses = aero_particle_species_masses(aero_particle_ptr_f, aero_data_ptr_f)
   end subroutine
 
+  subroutine f_aero_particle_solute_kappa(aero_particle_ptr_c, aero_data_ptr_c, kappa) bind(C)
+    type(aero_particle_t), pointer :: aero_particle_ptr_f => null()
+    type(aero_data_t), pointer :: aero_data_ptr_f => null()
+    type(c_ptr), intent(in) :: aero_particle_ptr_c, aero_data_ptr_c
+    real(c_double), intent(out) :: kappa
+
+    call c_f_pointer(aero_particle_ptr_c, aero_particle_ptr_f)
+    call c_f_pointer(aero_data_ptr_c, aero_data_ptr_f)
+
+    kappa = aero_particle_solute_kappa(aero_particle_ptr_f, aero_data_ptr_f)
+  end subroutine
+
 end module

src/aero_particle.hpp

@@ -24,6 +24,7 @@ extern "C" void f_aero_particle_dry_diameter(const void *aero_particle_ptr, cons
 extern "C" void f_aero_particle_mass(const void *aero_particle_ptr, const void *aero_data_ptr, double *mass) noexcept;
 extern "C" void f_aero_particle_species_mass(const void *aero_particle_ptr, const int *i_spec, const void *aero_data_ptr, double *mass) noexcept;
 extern "C" void f_aero_particle_species_masses(const void *aero_particle_ptr, const void *aero_data_ptr, const int *size_masses, void *masses) noexcept;
+extern "C" void f_aero_particle_solute_kappa(const void *aero_particle_ptr, const void *aero_data_ptr, void *kappa) noexcept;
 
 
 namespace py = pybind11;
@@ -110,5 +111,11 @@ struct AeroParticle {
         return masses;
     }
 
+    static double solute_kappa(const AeroParticle &self) {
+        double kappa;
+        f_aero_particle_solute_kappa(&self.ptr, &self.aero_data, &kappa);
+        return kappa;
+    }
+
 };
 

src/pypartmc.cpp

@@ -115,6 +115,8 @@ PYBIND11_MODULE(_PyPartMC, m) {
             "Mass of a single species in the particle (kg).")
         .def_property_readonly("species_masses", AeroParticle::species_masses,
             "Mass of all species in the particle (kg).")
+        .def_property_readonly("solute_kappa", AeroParticle::solute_kappa,
+            "Returns the average of the solute kappas (1).")
     ;
 
     py::class_<AeroState>(m, "AeroState",

tests/test_aero_particle.py

@@ -5,6 +5,7 @@
 ####################################################################################################
 
 import pytest
+import numpy as np
 import PyPartMC as ppmc
 from PyPartMC import si
 from .test_aero_data import AERO_DATA_CTOR_ARG_MINIMAL
@@ -236,3 +237,21 @@ def test_species_masses():
 
         # assert
         assert masses == check
+
+    @staticmethod
+    def test_solute_kappa():
+        # arrange
+        aero_data_arg = (
+            {"H2O": [1000 * si.kg / si.m**3, 0, 18e-3 * si.kg / si.mol, 0]},
+            {"Cl": [2200 * si.kg / si.m**3, 1, 35.5e-3* si.kg / si.mol, 0]},
+            {"Na": [2200 * si.kg / si.m**3, 1, 23e-3 * si.kg / si.mol, 0]}
+        )
+        aero_data = ppmc.AeroData(aero_data_arg)
+        volumes = [1, 2, 3]
+        sut = ppmc.AeroParticle(aero_data, volumes)
+
+        #act
+        kappa = sut.solute_kappa
+
+        #assert
+        np.testing.assert_almost_equal(kappa, 1.479240661)