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Use numpy.isclose to compare array Quantities
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The existing assertArrayNear method was causing units to be stripped
from the array Quantities. Avoiding numpy.asarray conversions and
using numpy.isclose prevents that from happening.
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@bryanwweber @speth
bryanwweber authored and speth committed Apr 25, 2023
1 parent 09faa1e commit e4bd04f
Showing 1 changed file with 53 additions and 37 deletions.
90 changes: 53 additions & 37 deletions interfaces/cython/cantera/test/test_units.py
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Expand Up @@ -16,6 +16,23 @@ def assertQuantityNear(self, a, b, atol=1.0E-12, rtol=1.0E-8):
f'rtol = {rtol:10e}; atol = {atol:10e}')
self.fail(message)

def assertArrayQuantityNear(self, A, B, rtol=1e-8, atol=1e-12, msg=None):
if A.shape != B.shape:
self.fail(f"Arrays are of different lengths ({A.shape}, {B.shape})")
isclose = np.isclose(A, B, atol=atol, rtol=rtol)
if not isclose.all():
bad_A = A[~isclose]
bad_B = B[~isclose]
message = (
f"AssertNear: {bad_A:.14g} - {bad_B:.14g} = {bad_A - bad_B:.14g}\n" +
f"Error for {(~isclose).sum()} element(s) exceeds rtol = {rtol:10e}," +
f"atol = {atol:10e}."
)
if msg is not None:
message = msg + "\n" + message
self.fail(message)


class TestSolutionUnits(CanteraUnitsTest):
def setUp(self):
self.phase = ct.Solution("h2o2.yaml")
Expand Down Expand Up @@ -203,7 +220,6 @@ def test_dimensions(self):
self.assertEqual(dims_cv_mole["[substance]"], -1.0)
self.assertEqual(dims_cv_mole["[temperature]"], -1.0)


def check_setters(self, T1, rho1, Y1):
T0, rho0, Y0 = self.phase.TDY
self.phase.TDY = T1, rho1, Y1
Expand All @@ -217,7 +233,7 @@ def check_setters(self, T1, rho1, Y1):
def check_state(T, rho, Y):
self.assertQuantityNear(self.phase.T, T)
self.assertQuantityNear(self.phase.density, rho)
self.assertArrayNear(self.phase.Y, Y)
self.assertArrayQuantityNear(self.phase.Y, Y)

self.phase.TDY = T0, rho0, Y0
self.phase.TPY = T1, P1, Y1
Expand Down Expand Up @@ -311,101 +327,101 @@ def test_setters_hold_constant(self):
self.assertQuantityNear(getattr(self.phase, second), second_val)

def check_getters(self):
T,D,X = self.phase.TDX
T, D, X = self.phase.TDX
self.assertQuantityNear(T, self.phase.T)
self.assertQuantityNear(D, self.phase.density)
self.assertArrayNear(X, self.phase.X)
self.assertArrayQuantityNear(X, self.phase.X)

T,D,Y = self.phase.TDY
T, D, Y = self.phase.TDY
self.assertQuantityNear(T, self.phase.T)
self.assertQuantityNear(D, self.phase.density)
self.assertArrayNear(Y, self.phase.Y)
self.assertArrayQuantityNear(Y, self.phase.Y)

T,D = self.phase.TD
T, D = self.phase.TD
self.assertQuantityNear(T, self.phase.T)
self.assertQuantityNear(D, self.phase.density)

T,P,X = self.phase.TPX
T, P, X = self.phase.TPX
self.assertQuantityNear(T, self.phase.T)
self.assertQuantityNear(P, self.phase.P)
self.assertArrayNear(X, self.phase.X)
self.assertArrayQuantityNear(X, self.phase.X)

T,P,Y = self.phase.TPY
T, P, Y = self.phase.TPY
self.assertQuantityNear(T, self.phase.T)
self.assertQuantityNear(P, self.phase.P)
self.assertArrayNear(Y, self.phase.Y)
self.assertArrayQuantityNear(Y, self.phase.Y)

T,P = self.phase.TP
T, P = self.phase.TP
self.assertQuantityNear(T, self.phase.T)
self.assertQuantityNear(P, self.phase.P)

H,P,X = self.phase.HPX
H, P, X = self.phase.HPX
self.assertQuantityNear(H, self.phase.h)
self.assertQuantityNear(P, self.phase.P)
self.assertArrayNear(X, self.phase.X)
self.assertArrayQuantityNear(X, self.phase.X)

H,P,Y = self.phase.HPY
H, P, Y = self.phase.HPY
self.assertQuantityNear(H, self.phase.h)
self.assertQuantityNear(P, self.phase.P)
self.assertArrayNear(Y, self.phase.Y)
self.assertArrayQuantityNear(Y, self.phase.Y)

H,P = self.phase.HP
H, P = self.phase.HP
self.assertQuantityNear(H, self.phase.h)
self.assertQuantityNear(P, self.phase.P)

U,V,X = self.phase.UVX
U, V, X = self.phase.UVX
self.assertQuantityNear(U, self.phase.u)
self.assertQuantityNear(V, self.phase.v)
self.assertArrayNear(X, self.phase.X)
self.assertArrayQuantityNear(X, self.phase.X)

U,V,Y = self.phase.UVY
U, V, Y = self.phase.UVY
self.assertQuantityNear(U, self.phase.u)
self.assertQuantityNear(V, self.phase.v)
self.assertArrayNear(Y, self.phase.Y)
self.assertArrayQuantityNear(Y, self.phase.Y)

U,V = self.phase.UV
U, V = self.phase.UV
self.assertQuantityNear(U, self.phase.u)
self.assertQuantityNear(V, self.phase.v)

S,P,X = self.phase.SPX
S, P, X = self.phase.SPX
self.assertQuantityNear(S, self.phase.s)
self.assertQuantityNear(P, self.phase.P)
self.assertArrayNear(X, self.phase.X)
self.assertArrayQuantityNear(X, self.phase.X)

S,P,Y = self.phase.SPY
S, P, Y = self.phase.SPY
self.assertQuantityNear(S, self.phase.s)
self.assertQuantityNear(P, self.phase.P)
self.assertArrayNear(Y, self.phase.Y)
self.assertArrayQuantityNear(Y, self.phase.Y)

S,P = self.phase.SP
S, P = self.phase.SP
self.assertQuantityNear(S, self.phase.s)
self.assertQuantityNear(P, self.phase.P)

S,V,X = self.phase.SVX
S, V, X = self.phase.SVX
self.assertQuantityNear(S, self.phase.s)
self.assertQuantityNear(V, self.phase.v)
self.assertArrayNear(X, self.phase.X)
self.assertArrayQuantityNear(X, self.phase.X)

S,V,Y = self.phase.SVY
S, V, Y = self.phase.SVY
self.assertQuantityNear(S, self.phase.s)
self.assertQuantityNear(V, self.phase.v)
self.assertArrayNear(Y, self.phase.Y)
self.assertArrayQuantityNear(Y, self.phase.Y)

S,V = self.phase.SV
S, V = self.phase.SV
self.assertQuantityNear(S, self.phase.s)
self.assertQuantityNear(V, self.phase.v)

D,P,X = self.phase.DPX
D, P, X = self.phase.DPX
self.assertQuantityNear(D, self.phase.density)
self.assertQuantityNear(P, self.phase.P)
self.assertArrayNear(X, self.phase.X)
self.assertArrayQuantityNear(X, self.phase.X)

D,P,Y = self.phase.DPY
D, P, Y = self.phase.DPY
self.assertQuantityNear(D, self.phase.density)
self.assertQuantityNear(P, self.phase.P)
self.assertArrayNear(Y, self.phase.Y)
self.assertArrayQuantityNear(Y, self.phase.Y)

D,P = self.phase.DP
D, P = self.phase.DP
self.assertQuantityNear(D, self.phase.density)
self.assertQuantityNear(P, self.phase.P)

Expand Down

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