[cig-commits] [commit] add_gibbs_energy: Added 1-mineral solidsolution test (9166820)

[cig_noreply at geodynamics.org]

Repository : https://github.com/geodynamics/burnman

On branch  : add_gibbs_energy
Link       : https://github.com/geodynamics/burnman/compare/5bb74c6f3b8b22ee1a37fbace4661641a25541b3...9166820546732673719e2a925461aff9be00821a

>---------------------------------------------------------------

commit 9166820546732673719e2a925461aff9be00821a
Author: Bob Myhill <myhill.bob at gmail.com>
Date:   Thu Dec 11 18:15:21 2014 -0800

    Added 1-mineral solidsolution test


>---------------------------------------------------------------

9166820546732673719e2a925461aff9be00821a
 tests/test_solidsolution.py | 69 +++++++++++++++++++++++++++++++++++++++++++++
 tests/tests.py              |  1 +
 2 files changed, 70 insertions(+)

diff --git a/tests/test_solidsolution.py b/tests/test_solidsolution.py
new file mode 100644
index 0000000..93328d1
--- /dev/null
+++ b/tests/test_solidsolution.py
@@ -0,0 +1,69 @@
+import unittest
+import os, sys
+sys.path.insert(1,os.path.abspath('..'))
+
+import burnman
+from burnman.mineral import Mineral
+from burnman.processchemistry import *
+from util import BurnManTest
+
+atomic_masses=read_masses()
+
+class forsterite (Mineral):
+    def __init__(self):
+       formula='Mg2.0Si1.0O4.0'
+       formula = dictionarize_formula(formula)
+       self.params = {
+           'name': 'fo',
+           'formula': formula,
+           'equation_of_state': 'mtait',
+           'H_0': -2172590.0 ,
+           'S_0': 95.1 ,
+           'V_0': 4.366e-05 ,
+           'Cp': [233.3, 0.001494, -603800.0, -1869.7] ,
+           'a_0': 2.85e-05 ,
+           'K_0': 1.285e+11 ,
+           'Kprime_0': 3.84 ,
+           'Kdprime_0': -3e-11 ,
+           'n': sum(formula.values()),
+           'molar_mass': formula_mass(formula, atomic_masses)}
+       Mineral.__init__(self)
+
+# Configurational entropy
+class forsterite_ss(burnman.SolidSolution):
+    def __init__(self):
+        # Name
+        self.name='Dummy solid solution'
+
+        base_material = [[forsterite(), '[Mg]2SiO4']]
+
+        # Interaction parameters
+        enthalpy_interaction=[]
+
+        burnman.SolidSolution.__init__(self, base_material, \
+                          burnman.solutionmodel.SymmetricRegularSolution(base_material, enthalpy_interaction) )
+
+
+
+
+class test_solidsolution(BurnManTest):
+
+    def setup_1min_ss(self):
+        P=1.e5
+        T=1000.
+        fo=forsterite()
+        fo.set_state(P,T)
+        
+        fo_ss=forsterite_ss()
+        fo_ss.set_composition([1.0])
+        fo_ss.set_state(P,T)
+        return fo, fo_ss
+        
+    def test_1_gibbs(self):
+        fo, fo_ss = self.setup_1min_ss()
+        endmember_properties=[fo.gibbs, fo.H, fo.S, fo.V, fo.C_p, fo.C_v, fo.alpha, fo.K_T, fo.K_S, fo.gr]
+        ss_properties=[fo_ss.gibbs, fo_ss.H, fo_ss.S, fo_ss.V, fo_ss.C_p, fo_ss.C_v, fo_ss.alpha, fo_ss.K_T, fo_ss.K_S, fo_ss.gr]
+        self.assertArraysAlmostEqual(endmember_properties, ss_properties)
+
+if __name__ == '__main__':
+    unittest.main()
diff --git a/tests/tests.py b/tests/tests.py
index b29b566..463107c 100644
--- a/tests/tests.py
+++ b/tests/tests.py
@@ -5,6 +5,7 @@ from test_spin import *
 from test_composite import *
 from test_model import *
 from test_partitioning import *
+from test_solidsolution import *
 
 import os, sys
 sys.path.insert(1,os.path.abspath('..'))