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test_averaging.py
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test_averaging.py
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from __future__ import absolute_import
import unittest
from util import BurnManTest
import warnings
import burnman
from burnman import minerals
import burnman.classes.averaging_schemes as avg
class mypericlase(burnman.Mineral):
"""
Stixrude & Lithgow-Bertelloni 2005 and references therein
"""
def __init__(self):
self.params = {
"equation_of_state": "slb3",
"V_0": 11.24e-6,
"K_0": 161.0e9,
"Kprime_0": 3.8,
"G_0": 131.0e9,
"Gprime_0": 2.1,
"molar_mass": 0.0403,
"n": 2,
"Debye_0": 773.0,
"grueneisen_0": 1.5,
"q_0": 1.5,
"eta_s_0": 2.8,
}
burnman.Mineral.__init__(self)
class my_nonrigid_mineral(burnman.Mineral):
def __init__(self):
self.params = {
"equation_of_state": "slb3",
"V_0": 11.24e-6,
"K_0": 161.0e9,
"Kprime_0": 3.8,
"G_0": 0.0e9,
"Gprime_0": 0.0,
"molar_mass": 0.0403,
"n": 2,
"Debye_0": 773.0,
"grueneisen_0": 1.5,
"q_0": 1.5,
"eta_s_0": 0.0,
}
burnman.Mineral.__init__(self)
class VRH_average(BurnManTest):
def test_one_object(self):
v = avg.voigt_reuss_hill_function([2.0], [0.123])
self.assertFloatEqual(0.123, v)
def test_two_same(self):
v = avg.voigt_reuss_hill_function([2.0, 2.0], [0.456, 0.456])
self.assertFloatEqual(0.456, v)
def test_one_no_volume(self):
v = avg.voigt_reuss_hill_function([0.0, 2.0], [0.123, 0.456])
self.assertFloatEqual(0.456, v)
def test_mix(self):
v = avg.voigt_reuss_hill_function([1.0, 2.0], [0.1, 0.2])
self.assertFloatEqual(0.15833333333333, v)
class VRH(BurnManTest):
def test_1(self):
rock = burnman.Composite([mypericlase()], [1.0])
rock.set_method("slb3")
rock.set_averaging_scheme(avg.VoigtReussHill())
rho, v_p, v_s, v_phi, K_vrh, G_vrh = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(3791.392, rho[0])
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K_vrh[0] / 1.0e9)
self.assertFloatEqual(150.901, G_vrh[0] / 1.0e9)
def same(self, number):
rock = burnman.Composite([mypericlase()] * number, [1.0 / number] * number)
rock.set_method("slb3")
rock.set_averaging_scheme(avg.VoigtReussHill())
rho, v_p, v_s, v_phi, K_vrh, G_vrh = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(3791.392, rho[0])
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K_vrh[0] / 1.0e9)
self.assertFloatEqual(150.901, G_vrh[0] / 1.0e9)
def test_same(self):
self.same(2)
self.same(3)
self.same(4)
def test_two_different(self):
rock = burnman.Composite(
[minerals.SLB_2005.periclase(), minerals.SLB_2005.fe_perovskite()],
[0.5, 0.5],
)
rock.set_method("slb3")
rock.set_averaging_scheme(avg.VoigtReussHill())
rho, v_p, v_s, v_phi, K_vrh, G_vrh = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(4881.469, rho[0])
self.assertFloatEqual(9957.665, v_p[0])
self.assertFloatEqual(5606.916, v_s[0])
self.assertFloatEqual(7565.607, v_phi[0])
self.assertFloatEqual(279.408, K_vrh[0] / 1.0e9)
self.assertFloatEqual(153.461, G_vrh[0] / 1.0e9)
class Reuss(BurnManTest):
def test_1(self):
rock = burnman.Composite([mypericlase()], [1.0])
rock.set_averaging_scheme(avg.Reuss())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(3791.392, rho[0])
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K[0] / 1.0e9)
self.assertFloatEqual(150.901, G[0] / 1.0e9)
def same(self, number):
rock = burnman.Composite([mypericlase()] * number, [1.0 / number] * number)
rock.set_averaging_scheme(avg.Reuss())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(3791.392, rho[0])
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K[0] / 1.0e9)
self.assertFloatEqual(150.901, G[0] / 1.0e9)
def test_same(self):
self.same(2)
self.same(3)
self.same(4)
def test_two_different(self):
rock = burnman.Composite(
[minerals.SLB_2005.periclase(), minerals.SLB_2005.fe_perovskite()],
[0.5, 0.5],
)
rock.set_averaging_scheme(avg.Reuss())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(4881.469, rho[0])
self.assertFloatEqual(9887.625, v_p[0])
self.assertFloatEqual(5606.745, v_s[0])
self.assertFloatEqual(7473.353, v_phi[0])
self.assertFloatEqual(272.635, K[0] / 1.0e9)
self.assertFloatEqual(153.452, G[0] / 1.0e9)
def test_non_present_non_rigid_phase(self):
rock = burnman.Composite([mypericlase(), my_nonrigid_mineral()], [1.0, 0.0])
rock.set_averaging_scheme(avg.Reuss())
with warnings.catch_warnings(record=True) as w:
warnings.simplefilter("always")
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], 10.0e9, 300.0
)
assert len(w) == 2 # we expect two errors to be thrown when p_nonrigid = 0
self.assertFloatEqual(150.901, G / 1.0e9)
def test_present_non_rigid_phase(self):
rock = burnman.Composite([mypericlase(), my_nonrigid_mineral()], [0.5, 0.5])
rock.set_averaging_scheme(avg.Reuss())
with warnings.catch_warnings(record=True) as w:
warnings.simplefilter("always")
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], 10.0e9, 300.0
)
assert (
len(w) == 4
) # we expect four errors to be thrown when p_nonrigid != 0
self.assertFloatEqual(0.0, G / 1.0e9)
class Voigt(BurnManTest):
def test_1(self):
rock = burnman.Composite([mypericlase()], [1.0])
rock.set_averaging_scheme(avg.Voigt())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(3791.392, rho[0])
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K[0] / 1.0e9)
self.assertFloatEqual(150.901, G[0] / 1.0e9)
def same(self, number):
rock = burnman.Composite([mypericlase()] * number, [1.0 / number] * number)
rock.set_averaging_scheme(avg.Voigt())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(3791.392, rho[0])
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K[0] / 1.0e9)
self.assertFloatEqual(150.901, G[0] / 1.0e9)
def test_same(self):
self.same(2)
self.same(3)
self.same(4)
def test_two_different(self):
rock = burnman.Composite(
[minerals.SLB_2005.periclase(), minerals.SLB_2005.fe_perovskite()],
[0.5, 0.5],
)
rock.set_averaging_scheme(avg.Voigt())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(4881.469, rho[0])
self.assertFloatEqual(10027.216, v_p[0])
self.assertFloatEqual(5607.087, v_s[0])
self.assertFloatEqual(7656.750, v_phi[0])
self.assertFloatEqual(286.180, K[0] / 1.0e9)
self.assertFloatEqual(153.471, G[0] / 1.0e9)
class HSLower(BurnManTest):
def test_1(self):
rock = burnman.Composite([mypericlase()], [1.0])
rock.set_averaging_scheme(avg.HashinShtrikmanLower())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(3791.392, rho[0])
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K[0] / 1.0e9)
self.assertFloatEqual(150.901, G[0] / 1.0e9)
def same(self, number):
rock = burnman.Composite([mypericlase()] * number, [1.0 / number] * number)
rock.set_averaging_scheme(avg.HashinShtrikmanLower())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(3791.392, rho[0])
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K[0] / 1.0e9)
self.assertFloatEqual(150.901, G[0] / 1.0e9)
def test_same(self):
self.same(2)
self.same(3)
self.same(4)
def test_two_different(self):
rock = burnman.Composite(
[minerals.SLB_2005.periclase(), minerals.SLB_2005.fe_perovskite()],
[0.5, 0.5],
)
rock.set_averaging_scheme(avg.HashinShtrikmanLower())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(4881.469, rho[0])
self.assertFloatEqual(9951.957, v_p[0])
self.assertFloatEqual(5606.916, v_s[0])
self.assertFloatEqual(7558.094, v_phi[0])
self.assertFloatEqual(278.853, K[0] / 1.0e9)
self.assertFloatEqual(153.461, G[0] / 1.0e9)
class HSUpper(BurnManTest):
def test_1(self):
rock = burnman.Composite([mypericlase()], [1.0])
rock.set_averaging_scheme(avg.HashinShtrikmanUpper())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(3791.392, rho[0])
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K[0] / 1.0e9)
self.assertFloatEqual(150.901, G[0] / 1.0e9)
def same(self, number):
rock = burnman.Composite([mypericlase()] * number, [1.0 / number] * number)
rock.set_averaging_scheme(avg.HashinShtrikmanUpper())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(3791.392, rho[0])
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K[0] / 1.0e9)
self.assertFloatEqual(150.901, G[0] / 1.0e9)
def test_same(self):
self.same(2)
self.same(3)
self.same(4)
def test_two_different(self):
rock = burnman.Composite(
[minerals.SLB_2005.periclase(), minerals.SLB_2005.fe_perovskite()],
[0.5, 0.5],
)
rock.set_averaging_scheme(avg.HashinShtrikmanUpper())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(4881.469, rho[0])
self.assertFloatEqual(9952.798, v_p[0])
self.assertFloatEqual(5606.925, v_s[0])
self.assertFloatEqual(7559.192, v_phi[0])
self.assertFloatEqual(278.934, K[0] / 1.0e9)
self.assertFloatEqual(153.462, G[0] / 1.0e9)
class HSAverage(BurnManTest):
def test_1(self):
rock = burnman.Composite([mypericlase()], [1.0])
rock.set_averaging_scheme(avg.HashinShtrikmanAverage())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K[0] / 1.0e9)
self.assertFloatEqual(150.901, G[0] / 1.0e9)
def same(self, number):
rock = burnman.Composite([mypericlase()] * number, [1.0 / number] * number)
rock.set_averaging_scheme(avg.HashinShtrikmanAverage())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(3791.392, rho[0])
self.assertFloatEqual(10285.368, v_p[0])
self.assertFloatEqual(6308.811, v_s[0])
self.assertFloatEqual(7260.900, v_phi[0])
self.assertFloatEqual(199.884, K[0] / 1.0e9)
self.assertFloatEqual(150.901, G[0] / 1.0e9)
def test_same(self):
self.same(2)
self.same(3)
self.same(4)
def test_two_different(self):
rock = burnman.Composite(
[minerals.SLB_2005.periclase(), minerals.SLB_2005.fe_perovskite()],
[0.5, 0.5],
)
rock.set_averaging_scheme(avg.HashinShtrikmanAverage())
rho, v_p, v_s, v_phi, K, G = rock.evaluate(
["rho", "v_p", "v_s", "v_phi", "K_S", "G"], [10.0e9], [300.0]
)
self.assertFloatEqual(4881.469, rho[0])
self.assertFloatEqual(9952.378, v_p[0])
self.assertFloatEqual(5606.920, v_s[0])
self.assertFloatEqual(7558.643, v_phi[0])
self.assertFloatEqual(278.893, K[0] / 1.0e9)
self.assertFloatEqual(153.461, G[0] / 1.0e9)
if __name__ == "__main__":
unittest.main()