Add more unit tests (pynucastro#694)

pynucastro/networks/tests/test_python_custom_rate.py

@@ -96,6 +96,29 @@ def N14_p__O15__generic(rate_eval, tf):
 
  assert r_custom.function_string_py() == func
 
+ def test_evaluate_ydots(self, pynet):
+ rho = 1.e4
+ T = 4e7
+ comp = pyna.Composition(pynet.unique_nuclei)
+ comp.set_equal()
+
+ ydots = pynet.evaluate_ydots(rho, T, comp)
+
+ ydots_ref = {
+ pyna.Nucleus("p"): -4.89131088e-06,
+ pyna.Nucleus("he4"): 4.84655620e-06,
+ pyna.Nucleus("c12"): 4.83556908e-06,
+ pyna.Nucleus("c13"): 9.87368448e-06,
+ pyna.Nucleus("n13"): -9.89635377e-06,
+ pyna.Nucleus("n14"): 7.79536222e-05,
+ pyna.Nucleus("n15"): 3.72390497e-05,
+ pyna.Nucleus("o14"): -7.79200769e-05,
+ pyna.Nucleus("o15"): -4.20854947e-05,
+ }
+
+ for n, value in ydots_ref.items():
+ assert ydots[n] == approx(value)
+
  def test_import(self, pynet):
  pynet.write_network("custom.py")
  custom = importlib.import_module("custom")

pynucastro/rates/tests/test_library.py

@@ -1,5 +1,7 @@
 # unit tests for rates
 
+import pytest
+
 import pynucastro as pyna
 
 
@@ -49,8 +51,44 @@ def test_get_num_rates(self):
  assert self.library.get_num_rates() == 8
 
  def test_get_rate(self):
+ # get by rate id
  assert self.library.get_rate("c12 + p --> n13 <ls09_reaclib__>") == pyna.load_rate("c12-pg-n13-ls09")
 
+ # get by fname
+ assert self.library.get_rate("p_N14__O15") == pyna.load_rate("n14-pg-o15-im05")
+
+ # get by fname, lowercase
+ assert self.library.get_rate("p_n15__he4_c12") == pyna.load_rate("n15-pa-c12-nacr")
+
+ def test_get_rate_failure(self):
+ # missing rate id
+ with pytest.raises(LookupError):
+ self.library.get_rate("N15 + p --> O16 <li10_reaclib__>")
+
+ # missing fname
+ with pytest.raises(LookupError):
+ self.library.get_rate("F18__He4_N14")
+
+ # invalid rate
+ with pytest.raises(LookupError):
+ self.library.get_rate("this is not a rate")
+
+ def test_get_rate_by_nuclei(self):
+ assert self.library.get_rate_by_nuclei(
+ [pyna.Nucleus("p"), pyna.Nucleus("c13")], [pyna.Nucleus("n14")]
+ ) == pyna.load_rate("c13-pg-n14-nacr")
+
+ assert self.library.get_rate_by_nuclei(
+ [pyna.Nucleus("p")], [pyna.Nucleus("n14")]
+ ) is None
+
+ dup_rates = [pyna.load_rate("f17--o17-wc12"), pyna.load_rate("f17--o17-toki")]
+ dup_lib = self.library + pyna.Library(rates=dup_rates)
+
+ assert dup_lib.get_rate_by_nuclei(
+ [pyna.Nucleus("f17")], [pyna.Nucleus("o17")]
+ ) == dup_rates
+
  def test_diff(self):
  diff_lib = self.library - self.smaller_lib
  assert sorted(diff_lib.get_rates()) == sorted(self.removed_rates)

pynucastro/reduction/__init__.py

@@ -1,5 +1,4 @@
 """Routines for nuclear reaction network reduction."""
 
-from .drgep import drgep
 from .reduction_utils import FailedMPIImport, mpi_importer, mpi_numpy_decomp
 from .sensitivity_analysis import binary_search_trim, sens_analysis

pynucastro/reduction/reduction.py

@@ -9,7 +9,8 @@
 
 from pynucastro import Composition, Nucleus
 from pynucastro.constants import constants
-from pynucastro.reduction import drgep, mpi_importer, sens_analysis
+from pynucastro.reduction import mpi_importer, sens_analysis
+from pynucastro.reduction.drgep import drgep
 from pynucastro.reduction.generate_data import dataset
 from pynucastro.reduction.load_network import load_network
 

pynucastro/reduction/tests/test_drgep.py → pynucastro/reduction/tests/test_helpers.py

@@ -1,13 +1,14 @@
+"""Test the various helper functions in the reduction module."""
+
 import pytest
 from numpy.testing import assert_allclose
+from pytest import approx
 
 import pynucastro as pyna
-from pynucastro.reduction.drgep import (calc_interaction_matrix,
- calc_interaction_matrix_numpy,
- get_adj_nuc)
+from pynucastro.reduction import drgep, reduction
 
 
-class TestHelpers:
+class TestDrgepHelpers:
  @pytest.fixture(scope="class")
  def net(self, reaclib_library):
  rate_names = ["c12(p,g)n13",
@@ -59,16 +60,16 @@ def test_interaction_matrix(self, net, comp):
  ]
 
  rvals = net.evaluate_rates(rho=1e4, T=1e8, composition=comp)
- r_AB = calc_interaction_matrix(net, rvals)
+ r_AB = drgep.calc_interaction_matrix(net, rvals)
  assert_allclose(r_AB, expected, rtol=1e-10, atol=1e-100)
 
  def test_interaction_matrix_numpy(self, net, comp):
  rvals = net.evaluate_rates(rho=1e5, T=1e8, composition=comp)
  rvals_arr = [rvals[r] for r in net.rates]
- expected = calc_interaction_matrix(net, rvals)
+ expected = drgep.calc_interaction_matrix(net, rvals)
 
  net.clear_arrays()
- r_AB = calc_interaction_matrix_numpy(net, rvals_arr)
+ r_AB = drgep.calc_interaction_matrix_numpy(net, rvals_arr)
 
  assert_allclose(r_AB, expected, rtol=1e-10, atol=1e-100)
 
@@ -94,5 +95,52 @@ def test_adj_nuc(self, net):
  o15: {o15, n14, p, n15},
  }
 
- adj_nuc = get_adj_nuc(net)
+ adj_nuc = drgep.get_adj_nuc(net)
  assert adj_nuc == expected
+
+
+class TestReductionHelpers:
+ @pytest.fixture(scope="class")
+ def net(self, reaclib_library):
+ mylib = reaclib_library.linking_nuclei(["p", "he4", "c12", "n13", "o16"])
+ return pyna.RateCollection(libraries=[mylib])
+
+ @pytest.fixture(scope="class")
+ def thermo_state(self, net):
+ rho = 1e5
+ T = 1e8
+ comp = pyna.Composition(net.unique_nuclei)
+ comp.set_equal()
+ return (rho, T, comp)
+
+ @pytest.fixture(scope="class")
+ def net_info(self, net, thermo_state):
+ rho, T, comp = thermo_state
+ return reduction.get_net_info(net, comp, rho, T)
+
+ def test_enuc_dot(self, net_info, net, thermo_state):
+ enuc_dot = net.evaluate_energy_generation(*thermo_state)
+ assert reduction.enuc_dot(net_info) == approx(enuc_dot)
+
+ def test_ye_dot(self, net_info, net, thermo_state):
+ comp = thermo_state[2]
+ y_e = comp.eval_ye()
+
+ Y_dot = net.evaluate_ydots(*thermo_state)
+ nuc = net.unique_nuclei
+ Y = comp.get_molar()
+ ye_dot = y_e * (
+ sum(Y_dot[n] * n.Z for n in nuc) / sum(Y[n] * n.Z for n in nuc) -
+ sum(Y_dot[n] * n.A for n in nuc) / sum(comp.X[n] for n in nuc)
+ )
+
+ assert reduction.ye_dot(net_info) == approx(ye_dot, rel=1e-6, abs=0)
+
+ def test_abar_dot(self, net_info, net, thermo_state):
+ comp = thermo_state[2]
+ abar = comp.eval_abar()
+
+ ydots = net.evaluate_ydots(*thermo_state)
+ abar_dot = -abar**2 * sum(Y for Y in ydots.values())
+
+ assert reduction.abar_dot(net_info) == approx(abar_dot)