multi-mode AeroDist initialsation (also in Scenario) + AeroDist::n_mo…

…de & AeroDist::mode(idx) (#193)

Co-authored-by: Jeff Curtis <[email protected]>

src/aero_dist.F90

@@ -40,4 +40,36 @@ subroutine f_aero_dist_from_json(ptr_c, aero_data_ptr_c) bind(C)
 
     call spec_file_read_aero_dist(file, aero_data_ptr_f, aero_dist)
   end subroutine
+
+  subroutine f_aero_dist_n_mode(ptr_c, n_mode) bind(C)
+    type(aero_dist_t), pointer :: aero_dist => null()
+    type(c_ptr), intent(in) :: ptr_c
+    integer(c_int), intent(out) :: n_mode
+
+    call c_f_pointer(ptr_c, aero_dist)
+    n_mode = aero_dist_n_mode(aero_dist)
+  end subroutine
+
+  subroutine f_aero_dist_total_num_conc(ptr_c, total_num_conc) bind(C)
+    type(aero_dist_t), pointer :: aero_dist => null()
+    type(c_ptr), intent(in) :: ptr_c
+    real(c_double), intent(out) :: total_num_conc
+
+    call c_f_pointer(ptr_c, aero_dist)
+    total_num_conc = aero_dist_total_num_conc(aero_dist)
+  end subroutine
+
+  subroutine f_aero_dist_mode(ptr_c, aero_mode_ptr_c, index) bind(C)
+    type(c_ptr) :: ptr_c, aero_mode_ptr_c
+    type(aero_dist_t), pointer :: aero_dist
+    type(aero_mode_t), pointer :: aero_mode
+    integer(c_int), intent(in) :: index
+
+    call c_f_pointer(ptr_c, aero_dist)
+    call c_f_pointer(aero_mode_ptr_c, aero_mode)
+
+    aero_mode = aero_dist%mode(index + 1)
+
+  end subroutine
+
 end module

src/aero_dist.hpp

@@ -7,6 +7,7 @@
 #pragma once
 
 #include "pmc_resource.hpp"
+#include "aero_mode.hpp"
 
 extern "C" void f_aero_dist_ctor(
     void *ptr
@@ -16,19 +17,62 @@ extern "C" void f_aero_dist_dtor(
     void *ptr
 ) noexcept;
 
+extern "C" void f_aero_dist_n_mode(
+    const void *ptr,
+    int *n_mode
+) noexcept;
+
 extern "C" void f_aero_dist_from_json(
     void *ptr,
     void *aero_data_ptr
 ) noexcept;
 
+extern "C" void f_aero_dist_total_num_conc(
+    const void *ptr,
+    double *total_num_conc
+) noexcept;
+
+extern "C" void f_aero_dist_mode(
+    const void *ptr,
+    void *ptr_c,
+    const int *index
+) noexcept;
+
 struct AeroDist {
     PMCResource ptr;
+    std::shared_ptr<AeroData> aero_data;
 
-    AeroDist(AeroData &aero_data, const nlohmann::json &json):
-        ptr(f_aero_dist_ctor, f_aero_dist_dtor)
+    AeroDist(
+        std::shared_ptr<AeroData> aero_data,
+        const nlohmann::json &json
+    ):
+        ptr(f_aero_dist_ctor, f_aero_dist_dtor),
+        aero_data(aero_data)
     {
         gimmick_ptr() = std::make_unique<InputGimmick>(json, "", "mode_name", 1);
-        f_aero_dist_from_json(ptr.f_arg_non_const(), aero_data.ptr.f_arg_non_const());
+        f_aero_dist_from_json(ptr.f_arg_non_const(), aero_data->ptr.f_arg_non_const());
         gimmick_ptr().reset();
     }
+
+    static auto get_n_mode(const AeroDist &self) {
+        int n_mode;
+        f_aero_dist_n_mode(self.ptr.f_arg(), &n_mode);
+        return n_mode;
+    }
+
+    static auto get_total_num_conc(const AeroDist &self) {
+        double total_num_conc;
+        f_aero_dist_total_num_conc(self.ptr.f_arg(), &total_num_conc);
+        return total_num_conc;
+    }
+
+    static AeroMode* get_mode(const AeroDist &self, const int &idx) {
+        if (idx < 0 || idx >= AeroDist::get_n_mode(self))
+            throw std::out_of_range("Index out of range");
+
+        AeroMode *ptr = new AeroMode();
+        f_aero_dist_mode(self.ptr.f_arg(), ptr, &idx);
+
+        return ptr;
+    }
 };

src/aero_mode.hpp

@@ -109,6 +109,10 @@ extern "C" void f_aero_mode_from_json(
 struct AeroMode {
     PMCResource ptr;
 
+    AeroMode() :
+        ptr(f_aero_mode_ctor, f_aero_mode_dtor)
+    {}
+
     AeroMode(AeroData &aero_data, const nlohmann::json &json) :
         ptr(f_aero_mode_ctor, f_aero_mode_dtor)
     {
@@ -230,27 +234,30 @@ struct AeroMode {
     }
 
     static auto types() {
-        static auto vec = std::vector<std::string>({
+        static auto vec = std::vector<std::string>{
             "log_normal",
             "exp",
             "mono",
             "sampled"
-        });
+        };
         return vec;
     };
 
     static void set_type(AeroMode &self, const std::string &mode_type) {
-        auto it = std::find(
-            AeroMode::types().begin(),
-            AeroMode::types().end(),
-            mode_type
-        );
-
-        if (it == AeroMode::types().end()) 
+        auto found = false;
+        auto type = 0;
+
+        for (auto el : AeroMode::types()) {
+            ++type;
+            if (el == mode_type) {
+                found = true;
+                break;
+            }
+        }
+
+        if (!found)
             throw std::invalid_argument("Invalid mode type.");
 
-        int type = 1 + std::distance(AeroMode::types().begin(), it);
-
         f_aero_mode_set_type(self.ptr.f_arg_non_const(), &type);
     }
 

src/aero_state.hpp

@@ -332,12 +332,13 @@ struct AeroState {
         const AeroState &self,
         const int &idx
     ) {
+        if (idx < 0 || idx >= (int)__len__(self))
+            throw std::out_of_range("Index out of range");
+
         int len = AeroData::__len__(*self.aero_data);
         std::valarray<double> data(len);
 
         AeroParticle *ptr = new AeroParticle(self.aero_data, data);
-        if (idx < 0 || idx >= (int)__len__(self))
-            throw std::out_of_range("Index out of range");
         f_aero_state_particle(self.ptr.f_arg(), ptr, &idx);
 
         return ptr;

src/fake_spec_file.cpp

@@ -217,10 +217,20 @@ void c_spec_file_read_line(
     std::string name, data;
     *eof = gimmick_ptr()->read_line(name, data);
 
-    int i = 0;
-    for (const auto &ch : name) {
-        assert(i < *name_size);
-        name_data[i++] = ch;
+    {
+        int i = 0;
+        for (const auto &ch : name) {
+            assert(i < *name_size);
+            name_data[i++] = ch;
+        }
+        *name_size = i;
+    }
+    {
+        int i = 0;
+        for (const auto &ch : data) {
+            assert(i < *data0_size);
+            data0_data[i++] = ch;
+        }
+        *data0_size = i;
     }
-    *name_size = i;
 }

src/gimmicks.hpp

@@ -43,13 +43,21 @@ struct Gimmick {
         return this->json->dump();
     }
 
-    std::string last_dict_key() const noexcept {
-        std::string key = "<NOT FOUND>";
-        for (const auto& item : this->json->items())
-        {
+    template <class T>
+    std::string next_dict_key(T last_key, const T key_cond) const noexcept {
+        std::string key = "", prev_key = "";
+        if (last_key == key_cond)
+            last_key = "";
+
+        for (const auto& item : this->json->items()) {
             if (this->json->is_array()) {
                 for (auto &entry : item.value().items()) {
-                    key = entry.key();
+                    if (prev_key == last_key) {
+                        key = entry.key();
+                        break;
+                    }
+                    else
+                        prev_key = entry.key();
                 }
             } else {
                 key = item.key();
@@ -63,7 +71,7 @@ struct Gimmick {
 
     void zoom_in(const bpstd::string_view &sub) noexcept {
         auto it = this->json->is_array() 
-            ? this->json->at(this->json->size()-1).begin()
+            ? this->json->at(this->json->size()-1).find(sub)
             : this->json->find(sub);
         // TODO #112: handle errors
         this->json_parent.push(this->json);
@@ -86,35 +94,29 @@ struct Gimmick {
     }
 
     // TODO #112: to be removed after initialising GasData with a list, and not JSON?
-    std::string first_field_name() const noexcept {
+    auto first_field_name() const noexcept {
         // TODO #112: handle errors
+        std::string name = "";
         assert(this->json->size() > 0);
         assert(this->json->begin()->size() > 0);
         for (auto &entry : this->json->at(0).items())
         {
-            return entry.key();
+            name = entry.key();
         }
-        assert(false);
-        return "";
-    }
-
-    auto is_empty() noexcept {
-        return this->json->empty();
-    }
-
-    auto size() noexcept {
-        return this->json->size();
+        if (name == "")
+            assert(false);
+        return name;
     }
 
-    std::size_t n_elements(const bpstd::string_view &name) noexcept {
+    auto n_elements(const bpstd::string_view &name) noexcept {
+        std::size_t n_elem = 0;
         for (auto i=0u; i<this->json->size(); ++i) {
             for (auto &entry : this->json->at(i).items()) {
                 if (entry.key() == name)
-                    return entry.value().size();
+                    n_elem = entry.value().size();
             }
         }
-        assert(false);
-        return 0;
+        return n_elem;
     }
 
     auto n_numeric_array_entries() noexcept {
@@ -223,26 +225,30 @@ struct InputGimmick: Gimmick {
     }
 
     bool read_line(std::string &name, std::string &data) {
-        bool eof = this->is_empty();
-
-        if (this->zoom_level() == this->max_zoom_level) { // TODO #112
-            eof = true;
+        bool subsequent_record = false;
+        if (this->zoom_level() == this->max_zoom_level) {
             this->zoom_out();
-        }
 
-        if (!eof) {
-            assert(this->size() == 1);
-            auto key = this->last_dict_key();
-            if (this->key_name != "" && (this->key_cond == this->last_read_line_key)) {
-                name = this->key_name;
-                this->zoom_in(key);
-            } else {
-                name = key;
+            auto key = this->next_dict_key(this->last_read_line_key, this->key_cond);
+            if (key == "") {
+                this->last_read_line_key = "";
+                return true;
             }
-            data = key;
-            this->last_read_line_key = key;
+            else
+                subsequent_record = true;
         }
-        return eof;
+
+        auto key = this->next_dict_key(this->last_read_line_key, this->key_cond);
+        if (subsequent_record || (this->key_name != "" && (this->key_cond == this->last_read_line_key))) {
+            name = this->key_name;
+            this->zoom_in(key);
+        } else {
+            name = key;
+        }
+        data = key;
+        this->last_read_line_key = key;
+
+        return false;
     }
 };
 

src/pypartmc.cpp

@@ -326,7 +326,11 @@ PYBIND11_MODULE(_PyPartMC, m) {
     ;
 
     py::class_<AeroDist>(m,"AeroDist")
-        .def(py::init<AeroData&, const nlohmann::json&>())
+        .def(py::init<std::shared_ptr<AeroData>, const nlohmann::json&>())
+        .def_property_readonly("n_mode", &AeroDist::get_n_mode)
+        .def_property_readonly("num_conc", &AeroDist::get_total_num_conc)
+        .def("mode", AeroDist::get_mode,
+            "returns the mode of a given index")
     ;
 
     m.def(