added ability to set GasState values from a JSON object (#204)

Co-authored-by: Sylwester Arabas <[email protected]>

src/gas_state.F90

@@ -61,13 +61,12 @@ subroutine f_gas_state_from_json(ptr_c, gas_data_ptr_c) bind(C)
     type(gas_state_t), pointer :: ptr_f => null()
     type(c_ptr), intent(in) :: ptr_c
     type(c_ptr), intent(in) :: gas_data_ptr_c
-
+    type(spec_file_t) :: file    
     type(gas_data_t), pointer :: gas_data_ptr_f => null()
-    integer :: ncid
 
     call c_f_pointer(ptr_c, ptr_f)
     call c_f_pointer(gas_data_ptr_c, gas_data_ptr_f)
-    call gas_state_input_netcdf(ptr_f, ncid, gas_data_ptr_f)
+    call spec_file_read_gas_state(file, gas_data_ptr_f, ptr_f)    
   end subroutine
 
   subroutine f_gas_state_to_json(ptr_c) bind(C)

src/gas_state.hpp

@@ -18,7 +18,7 @@ extern "C" void f_gas_state_set_item(const void *ptr, const int *idx, const doub
 extern "C" void f_gas_state_get_item(const void *ptr, const int *idx, double *val) noexcept;
 extern "C" void f_gas_state_len(const void *ptr, int *len) noexcept;
 extern "C" void f_gas_state_to_json(const void *ptr) noexcept;
-extern "C" void f_gas_state_from_json(const void *ptr) noexcept;
+extern "C" void f_gas_state_from_json(const void *ptr, const void *gasdata_ptr) noexcept;
 extern "C" void f_gas_state_set_size(const void *ptr, const void *gasdata_ptr) noexcept;
 extern "C" void f_gas_state_mix_rats(const void *ptr, const double *data, const int *len);
 
@@ -116,4 +116,12 @@ struct GasState {
         }
         return data;
     }
+
+    static void set_mix_rats(const GasState &self, const nlohmann::json &json) {
+
+        gimmick_ptr() = std::make_unique<InputGimmick>(json);
+        f_gas_state_from_json(self.ptr.f_arg(),
+             self.gas_data->ptr.f_arg());
+        gimmick_ptr().reset(); // TODO #117: guard
+    }
 };

src/pypartmc.cpp

@@ -291,8 +291,8 @@ PYBIND11_MODULE(_PyPartMC, m) {
             "sets the GasState to the size of GasData")
         .def("mix_rat", GasState::mix_rat,
             "returns the mixing ratio of a gas species")
-        .def_property_readonly("mix_rats", GasState::mix_rats,
-            "returns array of mixing ratios")
+        .def_property("mix_rats", &GasState::mix_rats, &GasState::set_mix_rats,
+            "provides access (read of write) to the array of mixing ratios")
     ;
 
     py::class_<RunPartOpt>(m,
@@ -314,7 +314,7 @@ PYBIND11_MODULE(_PyPartMC, m) {
     py::class_<AeroMode>(m,"AeroMode")
         .def(py::init<AeroData&, const nlohmann::json&>())
         .def_property("num_conc", &AeroMode::get_num_conc, &AeroMode::set_num_conc,
-             "returns the total number concentration of a mode")
+             "provides access (read or write) to the total number concentration of a mode")
         .def("num_dist", &AeroMode::num_dist,
              "returns the binned number concenration of a mode")
         .def_property("vol_frac", &AeroMode::get_vol_frac,

tests/test_gas_state.py

@@ -15,6 +15,9 @@
 GAS_DATA_MINIMAL = ppmc.GasData(GAS_DATA_CTOR_ARG_MINIMAL)
 
 
+GAS_STATE_MINIMAL = ({"SO2": [0.1]},)
+
+
 class TestGasState:
     @staticmethod
     def test_ctor_valid():
@@ -97,3 +100,33 @@ def test_get_mix_rats():
 
         # assert
         assert len(sut.mix_rats) == len(sut)
+
+    @staticmethod
+    def test_set_mix_rats_from_json():
+        # arrange
+        gas_data = ppmc.GasData(
+            (
+                "SO2",
+                "NO2",
+                "NO",
+                "CO",
+            )
+        )
+        sut = ppmc.GasState(gas_data)
+
+        # act
+        gas_state_init_values = ({"SO2": [0.1]}, {"CO": [0.5]})
+        sut.mix_rats = gas_state_init_values
+
+        # assert
+        idx_set = []
+        for item in gas_state_init_values:
+            keys = item.keys()
+            assert len(keys) == 1
+            key = tuple(keys)[0]
+            val = tuple(item.values())[0][0]
+            idx_set.append(gas_data.spec_by_name(key))
+            assert sut[gas_data.spec_by_name(key)] == val
+        for i_spec in range(gas_data.n_spec):
+            if not i_spec in idx_set:
+                assert sut[i_spec] == 0