binding aero_particle_species_masses()

Author: zdaq12

src/aero_particle.F90

@@ -156,4 +156,17 @@ subroutine f_aero_particle_species_mass(aero_particle_ptr_c, i_spec, aero_data_p
     mass = aero_particle_species_mass(aero_particle_ptr_f, i_spec+1, aero_data_ptr_f)
   end subroutine
 
+  subroutine f_aero_particle_species_masses(aero_particle_ptr_c, aero_data_ptr_c, size_masses, masses) 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
+    integer(c_int), intent(in) :: size_masses
+    real(c_double), dimension(size_masses), intent(out) :: masses
+
+    call c_f_pointer(aero_particle_ptr_c, aero_particle_ptr_f)
+    call c_f_pointer(aero_data_ptr_c, aero_data_ptr_f)
+
+    masses = aero_particle_species_masses(aero_particle_ptr_f, aero_data_ptr_f)
+  end subroutine
+
 end module

src/aero_particle.hpp

@@ -23,6 +23,7 @@ extern "C" void f_aero_particle_diameter(const void *aero_particle_ptr, const vo
 extern "C" void f_aero_particle_dry_diameter(const void *aero_particle_ptr, const void * aero_data_ptr, double *diameter) noexcept;
 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;
 
 
 namespace py = pybind11;
@@ -102,5 +103,12 @@ struct AeroParticle {
         return mass;
     }
 
+    static std::valarray<double> species_masses(const AeroParticle &self) {
+        int len = AeroData::__len__(self.aero_data);
+        std::valarray<double> masses(len);
+        f_aero_particle_species_masses(&self.ptr, &self.aero_data, &len, begin(masses));
+        return masses;
+    }
+
 };
 

src/pypartmc.cpp

@@ -113,6 +113,8 @@ PYBIND11_MODULE(_PyPartMC, m) {
             "Total mass of the particle (kg).")
         .def("species_mass", AeroParticle::species_mass,
             "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).")
     ;
 
     py::class_<AeroState>(m, "AeroState",

tests/test_aero_particle.py

@@ -214,3 +214,25 @@ def test_species_mass():
 
         # assert
         assert sodium_mass == check
+
+    @staticmethod
+    def test_species_masses():
+        # 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
+        masses = sut.species_masses
+        check = []
+        for i, spec in enumerate(aero_data_arg):
+            key = list(spec)[0]
+            check.append(spec[key][0] * volumes[i])
+
+        # assert
+        assert masses == check