support for AeroMode instantiation with sampled mode type (incl. fixes in spec file logic) + sampled and mono mode types coverage in unit tests (in test_aero_[mode,state,dist].py)

src/aero_mode.hpp

@@ -145,6 +145,24 @@ struct AeroMode {
  throw std::runtime_error("mass_frac value must be a list of single-element dicts");
  if (!InputJSONResource::unique_keys(mass_frac))
  throw std::runtime_error("mass_frac keys must be unique");
+ if (mode["mode_type"] == "sampled") {
+ if (mode.find("size_dist") == mode.end())
+ throw std::runtime_error("size_dist key must be set for mode_type=sampled");
+ auto sd = mode["size_dist"];
+ if (
+ sd.size() != 2 || 
+ !sd[0].is_object() || 
+ sd[0].size() != 1 || 
+ sd[1].size() != 1 ||
+ sd[0].find("num_conc") == sd[0].end() ||
+ sd[1].find("diam") == sd[1].end()
+ )
+ throw std::runtime_error("size_dist value must be an iterable of two single-element dicts (first with 'num_conc', second with 'diam' as keys)");
+ auto num_conc = *sd[0].find("num_conc");
+ auto diam = *sd[1].find("diam");
+ if (diam.size() != num_conc.size() + 1)
+ throw std::runtime_error("size_dist['num_conc'] must have len(size_dist['diam'])-1 elements");
+ }
  }
 
  static auto get_num_conc(const AeroMode &self){
@@ -291,7 +309,7 @@ struct AeroMode {
  int type;
  f_aero_mode_get_type(self.ptr.f_arg(), &type);
 
- if (type < 0 || (unsigned int)type >= AeroMode::types().size())
+ if (type <= 0 || (unsigned int)type > AeroMode::types().size())
  throw std::logic_error("Unknown mode type.");
 
  return AeroMode::types()[type - 1];

src/spec_file_pypartmc.F90

@@ -129,6 +129,8 @@ subroutine spec_file_read_real_named_array(file, max_lines, names, vals)
  n_rows = max_lines
  end if
 
+ if (allocated(names)) deallocate(names)
+ if (allocated(vals)) deallocate(vals)
  allocate(names(n_rows))
  allocate(vals(n_rows, n_cols))
  allocate(vals_row(max(1, n_cols)))

tests/test_aero_dist.py

@@ -217,3 +217,22 @@ def test_ctor_error_on_repeated_massfrac_keys():
 
  # assert
  assert str(exc_info.value) == "mass_frac keys must be unique"
+
+ @staticmethod
+ def test_ctor_sampled_mode():
+ # arrange
+ aero_data = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
+ ctor_arg = copy.deepcopy(AERO_DIST_CTOR_ARG_MINIMAL)
+ ctor_arg[0]["test_mode"]["mode_type"] = "sampled"
+ ctor_arg[0]["test_mode"]["size_dist"] = [
+ {"num_conc": [1, 2, 3]},
+ {"diam": [1, 2, 3, 4]},
+ ]
+
+ # act
+ sut = ppmc.AeroDist(aero_data, ctor_arg)
+
+ # assert
+ assert sut.mode(0).num_conc == sum(
+ ctor_arg[0]["test_mode"]["size_dist"][0]["num_conc"]
+ )

tests/test_aero_mode.py

@@ -289,3 +289,99 @@ def test_segfault_case(): # TODO #319
  )
  print(fishy_ctor_arg)
  ppmc.AeroMode(aero_data, fishy_ctor_arg)
+
+ @staticmethod
+ @pytest.mark.skipif(platform.machine() == "arm64", reason="TODO #348")
+ def test_sampled_without_size_dist():
+ # arrange
+ aero_data = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
+ fishy_ctor_arg = copy.deepcopy(AERO_MODE_CTOR_LOG_NORMAL)
+ fishy_ctor_arg["test_mode"]["mode_type"] = "sampled"
+
+ # act
+ with pytest.raises(Exception) as exc_info:
+ ppmc.AeroMode(aero_data, fishy_ctor_arg)
+
+ # assert
+ assert str(exc_info.value) == "size_dist key must be set for mode_type=sampled"
+
+ @staticmethod
+ @pytest.mark.parametrize(
+ "fishy",
+ (
+ None,
+ [],
+ [{}, {}, {}],
+ [{}, []],
+ [{"diam": None}, {}],
+ [{"num_conc": None}, {}],
+ [{"diam": None, "": None}, {}],
+ [{"num_conc": None, "": None}, {}],
+ ),
+ )
+ @pytest.mark.skipif(platform.machine() == "arm64", reason="TODO #348")
+ def test_sampled_with_fishy_size_dist(fishy):
+ # arrange
+ aero_data = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
+ fishy_ctor_arg = copy.deepcopy(AERO_MODE_CTOR_LOG_NORMAL)
+ fishy_ctor_arg["test_mode"]["mode_type"] = "sampled"
+ fishy_ctor_arg["test_mode"]["size_dist"] = fishy
+
+ # act
+ with pytest.raises(Exception) as exc_info:
+ ppmc.AeroMode(aero_data, fishy_ctor_arg)
+
+ # assert
+ assert (
+ str(exc_info.value)
+ == "size_dist value must be an iterable of two single-element dicts"
+ + " (first with 'num_conc', second with 'diam' as keys)"
+ )
+
+ @staticmethod
+ @pytest.mark.skipif(platform.machine() == "arm64", reason="TODO #348")
+ def test_sampled_with_diam_of_different_len_than_num_conc():
+ # arrange
+ aero_data = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
+ fishy_ctor_arg = copy.deepcopy(AERO_MODE_CTOR_LOG_NORMAL)
+ fishy_ctor_arg["test_mode"]["mode_type"] = "sampled"
+ fishy_ctor_arg["test_mode"]["size_dist"] = [
+ {"num_conc": [1, 2, 3]},
+ {"diam": [1, 2, 3]},
+ ]
+
+ # act
+ with pytest.raises(Exception) as exc_info:
+ ppmc.AeroMode(aero_data, fishy_ctor_arg)
+
+ # assert
+ assert (
+ str(exc_info.value)
+ == "size_dist['num_conc'] must have len(size_dist['diam'])-1 elements"
+ )
+
+ @staticmethod
+ def test_sampled():
+ # arrange
+ aero_data = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
+
+ # act
+ num_concs = [100, 200, 300]
+ sut = ppmc.AeroMode(
+ aero_data,
+ {
+ "test_mode": {
+ "mass_frac": [{"H2O": [1]}],
+ "diam_type": "geometric",
+ "mode_type": "sampled",
+ "size_dist": [
+ {"num_conc": num_concs},
+ {"diam": [1, 2, 3, 4]},
+ ],
+ }
+ },
+ )
+
+ # assert
+ assert sut.type == "sampled"
+ assert sut.num_conc == np.sum(num_concs)