[cig-commits] [commit] add_thermodynamic_potentials: Remove underscores (d52a15c)
cig_noreply at geodynamics.org
cig_noreply at geodynamics.org
Wed Dec 10 14:52:29 PST 2014
Repository : https://github.com/geodynamics/burnman
On branch : add_thermodynamic_potentials
Link : https://github.com/geodynamics/burnman/compare/86bc2e51c012edd73c6b8365a35a8445d216a9f4...d52a15cda6a0bbf70dcf7a9a6fc6ecd733956739
>---------------------------------------------------------------
commit d52a15cda6a0bbf70dcf7a9a6fc6ecd733956739
Author: ian-r-rose <ian.r.rose at gmail.com>
Date: Wed Dec 10 14:51:48 2014 -0800
Remove underscores
>---------------------------------------------------------------
d52a15cda6a0bbf70dcf7a9a6fc6ecd733956739
burnman/equilibriumassemblage.py | 38 +++++++++++++++++++-------------------
1 file changed, 19 insertions(+), 19 deletions(-)
diff --git a/burnman/equilibriumassemblage.py b/burnman/equilibriumassemblage.py
index 84aaba6..885d5c4 100644
--- a/burnman/equilibriumassemblage.py
+++ b/burnman/equilibriumassemblage.py
@@ -58,8 +58,8 @@ class EquilibriumAssemblage(burnman.Material):
for e in self.elements] )
#Calculate the nullspace and the baseline assemblage vector
- self.__setup_subspaces()
- self.__compute_baseline_assemblage()
+ self._setup_subspaces()
+ self._compute_baseline_assemblage()
def set_method(self, method):
@@ -89,14 +89,14 @@ class EquilibriumAssemblage(burnman.Material):
def _solve_equilibrium_equations( self, pressure, temperature ):
- ref_gibbs = self.__compute_gibbs( pressure, temperature, self.__compute_species_vector(self.reduced_species_vector * 0.))
+ ref_gibbs = self._compute_gibbs( pressure, temperature, self._compute_species_vector(self.reduced_species_vector * 0.))
print ref_gibbs
- equilibrium = lambda x : (self._equilibrium_equations( pressure, temperature, self.__compute_species_vector( x ) ))
+ equilibrium = lambda x : (self._equilibrium_equations( pressure, temperature, self._compute_species_vector( x ) ))
sol = opt.root(equilibrium, self.reduced_species_vector, method='hybr', options={'xtol':1.e-11})
self.reduced_species_vector = sol.x
- self.species_vector = self.__compute_species_vector(self.reduced_species_vector)
- self.gibbs = self.__compute_gibbs(pressure, temperature, self.species_vector)
+ self.species_vector = self._compute_species_vector(self.reduced_species_vector)
+ self.gibbs = self._compute_gibbs(pressure, temperature, self.species_vector)
def _equilibrium_equations ( self, pressure, temperature, species_vector):
partial_gibbs = self._compute_partial_gibbs( pressure, temperature, species_vector)
@@ -113,20 +113,20 @@ class EquilibriumAssemblage(burnman.Material):
# Calculate a reference gibbs free energy at the baseline assemblage. This is a kind of ill-conditioned
# minimization problem, and it seems to work better if we subtract off a reference state and normalize.
- ref_gibbs = self.__compute_gibbs( pressure, temperature, self.__compute_species_vector(self.reduced_species_vector * 0.))
+ ref_gibbs = self._compute_gibbs( pressure, temperature, self._compute_species_vector(self.reduced_species_vector * 0.))
#define the function to minimize and then do it.
- minimize_gibbs = lambda x : (self.__compute_gibbs( pressure, temperature, self.__compute_species_vector(x) ) - ref_gibbs)/np.abs(ref_gibbs)
-# minimize_gibbs = lambda x : (self.__compute_gibbs( pressure, temperature, self.__compute_species_vector(x) ))
- equilibrium = lambda x : (self._equilibrium_equations( pressure, temperature, self.__compute_species_vector( x ) )/np.abs(ref_gibbs))
+ minimize_gibbs = lambda x : (self._compute_gibbs( pressure, temperature, self._compute_species_vector(x) ) - ref_gibbs)/np.abs(ref_gibbs)
+# minimize_gibbs = lambda x : (self._compute_gibbs( pressure, temperature, self._compute_species_vector(x) ))
+ equilibrium = lambda x : (self._equilibrium_equations( pressure, temperature, self._compute_species_vector( x ) )/np.abs(ref_gibbs))
# equilibrium=None
#Set the solution
- constraints={'type':'ineq', 'fun':self.__compute_species_vector}
+ constraints={'type':'ineq', 'fun':self._compute_species_vector}
sol = opt.minimize( minimize_gibbs, self.reduced_species_vector, method='SLSQP', jac=equilibrium, constraints=constraints )
self.reduced_species_vector = sol.x
- self.species_vector = self.__compute_species_vector(self.reduced_species_vector)
- self.gibbs = self.__compute_gibbs(pressure, temperature, self.species_vector)
+ self.species_vector = self._compute_species_vector(self.reduced_species_vector)
+ self.gibbs = self._compute_gibbs(pressure, temperature, self.species_vector)
@@ -168,7 +168,7 @@ class EquilibriumAssemblage(burnman.Material):
return partial_gibbs
- def __compute_gibbs( self, pressure, temperature, species_vector ):
+ def _compute_gibbs( self, pressure, temperature, species_vector ):
"""
Given a pressure, temperature, and vector in the nullspace,
calculate the gibbs free energy of the assemblage. This
@@ -183,7 +183,7 @@ class EquilibriumAssemblage(burnman.Material):
return gibbs
- def __compute_species_vector ( self, reduced_vector ):
+ def _compute_species_vector ( self, reduced_vector ):
"""
Given a vector in the nullspace, return a full species vector
in the endmember space.
@@ -192,7 +192,7 @@ class EquilibriumAssemblage(burnman.Material):
return species_vector
- def __compute_bulk_composition (self, species_vector):
+ def _compute_bulk_composition (self, species_vector):
"""
Given a vector in the endmember space, return the
bulk composition.
@@ -200,7 +200,7 @@ class EquilibriumAssemblage(burnman.Material):
return np.dot(self.stoichiometric_matrix, species_vector)
- def __setup_subspaces (self):
+ def _setup_subspaces (self):
"""
Calculate the nullspace for the bulk composition constraint, and make
an attempt to sparsify it.
@@ -209,7 +209,7 @@ class EquilibriumAssemblage(burnman.Material):
self.right_nullspace = gm.sparsify_basis(self.right_nullspace)
- def __compute_baseline_assemblage(self):
+ def _compute_baseline_assemblage(self):
"""
The nullspace gives us vectors that do not change the bulk composition,
but we need a particular vector that satisfies our composition constraint,
@@ -238,4 +238,4 @@ class EquilibriumAssemblage(burnman.Material):
#Our starting vector in the nullspace is just going to be the zero vector
self.reduced_species_vector = np.zeros( self.right_nullspace.shape[1] )
- self.species_vector = self.__compute_species_vector( self.reduced_species_vector)
+ self.species_vector = self._compute_species_vector( self.reduced_species_vector)
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