adding python binding for aero_data_spec_by_name

Author: zdaq12

src/aero_data.F90

@@ -35,4 +35,19 @@ subroutine f_aero_data_from_json(ptr_c) bind(C)
     call spec_file_read_aero_data(file, ptr_f)
   end subroutine
 
+  subroutine f_aero_data_spec_by_name(ptr_c, value, name_data, name_size) bind(C)
+    type(aero_data_t), pointer :: ptr_f => null()
+    type(c_ptr), intent(in) :: ptr_c
+    character(kind=c_char), dimension(*), intent(in) :: name_data
+    integer(c_int), intent(out) :: value
+    integer(c_int), intent(in) :: name_size
+    character(len=name_size) :: name
+    integer :: i
+    call c_f_pointer(ptr_c, ptr_f)
+    do i=1, name_size
+      name(i:i) = name_data(i)
+    end do
+    value = aero_data_spec_by_name(ptr_f, name)
+  end subroutine
+
 end module

src/aero_data.hpp

@@ -12,6 +12,7 @@
 extern "C" void f_aero_data_ctor(void *ptr) noexcept;
 extern "C" void f_aero_data_dtor(void *ptr) noexcept;
 extern "C" void f_aero_data_from_json(const void *ptr) noexcept;
+extern "C" void f_aero_data_spec_by_name(const void *ptr, int *value, const char *name_data, const int *name_size) noexcept;
 
 struct AeroData {
     PMCResource ptr;
@@ -23,5 +24,13 @@ struct AeroData {
         f_aero_data_from_json(this->ptr.f_arg());
         gimmick_ptr().reset(); // TODO: guard
     }
+
+    static int spec_by_name(const AeroData &self, const std::string &name) {
+        int value;
+        const int name_size = name.size();
+        f_aero_data_spec_by_name(self.ptr.f_arg(), &value, name.c_str(), &name_size);
+        if (value==0) throw std::runtime_error("Element not found.");
+        return value-1;
+    }
 };
 

src/pypartmc.cpp

@@ -63,6 +63,7 @@ PYBIND11_MODULE(PyPartMC, m) {
         )pbdoc"
     )
         .def(py::init<const nlohmann::json&>())
+        .def("spec_by_name", AeroData::spec_by_name)
     ;
 
     py::class_<AeroState>(m, "AeroState",

tests/test_aero_data.py

@@ -8,7 +8,7 @@
 from PyPartMC import si
 
 AERO_DATA_CTOR_ARG_MINIMAL = (
-    {"H20": [1000 * si.kg / si.m**3, 1, 18e-3 * si.kg / si.mol, 0]},
+    {"H2O": [1000 * si.kg / si.m**3, 1, 18e-3 * si.kg / si.mol, 0]},
 )
 
 
@@ -24,5 +24,24 @@ def test_ctor():
         assert sut is not None
 
     @staticmethod
-    def test_std():
-        pass  # TODO
+    def test_spec_by_name_found():
+        #arrange
+        sut = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
+
+        #act
+        value = sut.spec_by_name("H2O")
+
+        #assert
+        assert value == 0
+ 
+    @staticmethod
+    def test_spec_by_name_not_found():
+        #arrange
+        sut = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
+
+        #act and assert
+        try:
+            value = sut.spec_by_name("XXX")
+            assert False
+        except RuntimeError as e:
+            assert str(e) == "Element not found."