add consistency checks for allow halving/doubling flags. closes #266 (#362)

Author: slayoo

src/aero_state.hpp

@@ -224,6 +224,7 @@ auto pointer_vec_magic(arr_t &data_vec, const arg_t &arg) {
 struct AeroState {
     PMCResource ptr;
     std::shared_ptr<AeroData> aero_data;
+    int allow_halving = -1, allow_doubling = -1;
 
     AeroState(
         std::shared_ptr<AeroData> aero_data,
@@ -572,7 +573,7 @@ struct AeroState {
     }
 
    static int dist_sample(
-       const AeroState &self,
+       AeroState &self,
        const AeroDist &aero_dist,
        const double &sample_prop,
        const double &create_time,
@@ -581,6 +582,15 @@ struct AeroState {
    ) {
        int n_part_add = 0;
 
+       if (
+           (self.allow_doubling != -1 && self.allow_doubling != allow_doubling) ||
+           (self.allow_halving != -1 && self.allow_halving != allow_halving)
+       )
+           throw std::runtime_error("dist_sample() called with different halving/doubling settings then in last call");
+
+       self.allow_doubling = allow_doubling;
+       self.allow_halving = allow_halving;
+
        f_aero_state_add_aero_dist_sample(
            self.ptr.f_arg(),
            self.aero_data->ptr.f_arg(),

src/run_part.cpp

@@ -7,6 +7,17 @@
 #include "run_part.hpp"
 #include "pybind11/stl.h"
 
+void check_allow_flags(
+    const AeroState &aero_state,
+    const RunPartOpt &run_part_opt
+) {
+    if (
+        (aero_state.allow_halving != -1 && run_part_opt.allow_halving != aero_state.allow_halving) ||
+        (aero_state.allow_doubling != -1 && run_part_opt.allow_doubling != aero_state.allow_doubling)
+    )
+        throw std::runtime_error("allow halving/doubling flags set differently then while sampling");
+}
+
 void run_part(
     const Scenario &scenario,
     EnvState &env_state,
@@ -18,6 +29,7 @@ void run_part(
     const CampCore &camp_core,
     const Photolysis &photolysis
 ) {
+    check_allow_flags(aero_state, run_part_opt);
     f_run_part(
         scenario.ptr.f_arg(),
         env_state.ptr.f_arg_non_const(),
@@ -47,6 +59,7 @@ std::tuple<double, double, int> run_part_timestep(
     double &last_progress_time,
     int &i_output
 ) {
+    check_allow_flags(aero_state, run_part_opt);
     f_run_part_timestep(
         scenario.ptr.f_arg(),
         env_state.ptr.f_arg_non_const(),
@@ -84,6 +97,7 @@ std::tuple<double, double, int> run_part_timeblock(
     double &last_progress_time,
     int &i_output
 ) {
+    check_allow_flags(aero_state, run_part_opt);
     f_run_part_timeblock(
         scenario.ptr.f_arg(),
         env_state.ptr.f_arg_non_const(),

src/run_part_opt.hpp

@@ -18,6 +18,7 @@ extern "C" void f_run_part_opt_del_t(const void *ptr, double *del_t) noexcept;
 
 struct RunPartOpt {
     PMCResource ptr;
+    bool allow_halving, allow_doubling;
 
     RunPartOpt(const nlohmann::json &json) :
         ptr(f_run_part_opt_ctor, f_run_part_opt_dtor)
@@ -39,6 +40,8 @@ struct RunPartOpt {
         }))
             if (json_copy.find(key) == json_copy.end())
                 json_copy[key] = true;
+        allow_halving = json_copy["allow_halving"];
+        allow_doubling = json_copy["allow_doubling"];
 
         for (auto key : std::set<std::string>({
             "t_output", "t_progress", "rand_init"

tests/test_aero_state.py

@@ -556,3 +556,37 @@ def test_dist_sample_mono():
 
         # assert
         assert np.isclose(np.array(sut.diameters()), diam).all()
+
+    @staticmethod
+    @pytest.mark.parametrize(
+        "args",
+        (
+            ((True, True), (True, False)),
+            ((True, True), (False, True)),
+            ((True, True), (False, False)),
+            ((False, False), (True, False)),
+            ((False, False), (False, True)),
+            ((False, False), (True, True)),
+            ((True, False), (False, False)),
+            ((True, False), (False, True)),
+            ((False, True), (False, False)),
+            ((False, True), (True, False)),
+        ),
+    )
+    @pytest.mark.skipif(platform.machine() == "arm64", reason="TODO #348")
+    def test_dist_sample_different_halving(args):
+        # arrange
+        aero_data = ppmc.AeroData(AERO_DATA_CTOR_ARG_MINIMAL)
+        aero_dist = ppmc.AeroDist(aero_data, [AERO_MODE_CTOR_SAMPLED])
+        sut = ppmc.AeroState(aero_data, *AERO_STATE_CTOR_ARG_MINIMAL)
+
+        # act
+        with pytest.raises(RuntimeError) as excinfo:
+            _ = sut.dist_sample(aero_dist, 1.0, 0.0, *args[0])
+            _ = sut.dist_sample(aero_dist, 1.0, 0.0, *args[1])
+
+        # assert
+        assert (
+            str(excinfo.value)
+            == "dist_sample() called with different halving/doubling settings then in last call"
+        )

tests/test_output.py

@@ -68,8 +68,8 @@ def test_input_netcdf(tmp_path):
             aero_dist,
             sample_prop=1.0,
             create_time=0.0,
-            allow_doubling=True,
-            allow_halving=True,
+            allow_doubling=False,
+            allow_halving=False,
         )
 
         num_concs = aero_state.num_concs

tests/test_run_part.py

@@ -4,6 +4,8 @@
 # Authors: https://github.com/open-atmos/PyPartMC/graphs/contributors                              #
 ####################################################################################################
 
+import platform
+
 import numpy as np
 import pytest
 
@@ -52,7 +54,7 @@ def test_run_part(common_args):
 
     @staticmethod
     def test_run_part_timestep(common_args):
-        (last_output_time, last_progress_time, i_output) = ppmc.run_part_timestep(
+        last_output_time, last_progress_time, i_output = ppmc.run_part_timestep(
             *common_args, 1, 0, 0, 0, 1
         )
 
@@ -63,14 +65,18 @@ def test_run_part_timestep(common_args):
 
     @staticmethod
     def test_run_part_timeblock(common_args):
+        # arrange
         num_times = int(
             RUN_PART_OPT_CTOR_ARG_SIMULATION["t_output"]
             / RUN_PART_OPT_CTOR_ARG_SIMULATION["del_t"]
         )
-        (last_output_time, last_progress_time, i_output) = ppmc.run_part_timeblock(
+
+        # act
+        last_output_time, last_progress_time, i_output = ppmc.run_part_timeblock(
             *common_args, 1, num_times, 0, 0, 0, 1
         )
 
+        # assert
         assert last_output_time == RUN_PART_OPT_CTOR_ARG_SIMULATION["t_output"]
         assert last_progress_time == 0.0
         assert i_output == 2
@@ -94,8 +100,65 @@ def test_run_part_do_condensation(common_args, tmp_path):
                 "do_condensation": True,
             }
         )
-        aero_state.dist_sample(aero_dist, 1.0, 0.0, True, True)
+        aero_state.dist_sample(aero_dist, 1.0, 0.0, False, False)
         ppmc.condense_equilib_particles(env_state, aero_data, aero_state)
         ppmc.run_part(*args)
 
         assert np.sum(aero_state.masses(include=["H2O"])) > 0.0
+
+    @staticmethod
+    @pytest.mark.parametrize(
+        "flags",
+        (
+            ((True, True), (True, False)),
+            ((True, True), (False, True)),
+            ((True, True), (False, False)),
+            ((False, False), (True, False)),
+            ((False, False), (False, True)),
+            ((False, False), (True, True)),
+            ((True, False), (False, False)),
+            ((True, False), (False, True)),
+            ((False, True), (False, False)),
+            ((False, True), (True, False)),
+        ),
+    )
+    @pytest.mark.parametrize(
+        "fun_args",
+        (
+            ("run_part", []),
+            ("run_part_timestep", [0, 0, 0, 0, 0]),
+            ("run_part_timeblock", [0, 0, 0, 0, 0, 0]),
+        ),
+    )
+    @pytest.mark.skipif(platform.machine() == "arm64", reason="TODO #348")
+    def test_run_part_allow_flag_mismatch(common_args, tmp_path, fun_args, flags):
+        # arrange
+        filename = tmp_path / "test"
+        env_state = ppmc.EnvState(ENV_STATE_CTOR_ARG_HIGH_RH)
+        aero_data = ppmc.AeroData(AERO_DATA_CTOR_ARG_FULL)
+        aero_dist = ppmc.AeroDist(aero_data, AERO_DIST_CTOR_ARG_FULL)
+        aero_state = ppmc.AeroState(aero_data, *AERO_STATE_CTOR_ARG_MINIMAL)
+        args = list(common_args)
+        args[0].init_env_state(env_state, 0.0)
+        args[1] = env_state
+        args[2] = aero_data
+        args[3] = aero_state
+        args[6] = ppmc.RunPartOpt(
+            {
+                **RUN_PART_OPT_CTOR_ARG_SIMULATION,
+                "output_prefix": str(filename),
+                "allow_doubling": flags[0][0],
+                "allow_halving": flags[0][1],
+            }
+        )
+        aero_state.dist_sample(aero_dist, 1.0, 0.0, flags[1][0], flags[1][1])
+
+        # act
+        with pytest.raises(RuntimeError) as excinfo:
+            getattr(ppmc, fun_args[0])(*args, *fun_args[1])
+
+        # assert
+        assert (
+            str(excinfo.value)
+            == "allow halving/doubling flags set differently then while sampling"
+        )