[cig-commits] [commit] inversion, master, validate_MT_params: Bug fix for formula parsing (a7672d4)
cig_noreply at geodynamics.org
cig_noreply at geodynamics.org
Fri Dec 12 18:25:28 PST 2014
Repository : https://github.com/geodynamics/burnman
On branches: inversion,master,validate_MT_params
Link : https://github.com/geodynamics/burnman/compare/80c2a295c42dfdb38f83f6c1334bf7d8f97a8463...409647ff05dfad6a686198cac1481bd46b5e2e62
>---------------------------------------------------------------
commit a7672d461f6237b13dfb4badbc72ee4420f36d3e
Author: Bob Myhill <myhill.bob at gmail.com>
Date: Wed Sep 3 09:42:44 2014 +0200
Bug fix for formula parsing
>---------------------------------------------------------------
a7672d461f6237b13dfb4badbc72ee4420f36d3e
burnman/processchemistry.py | 6 ++++++
1 file changed, 6 insertions(+)
diff --git a/burnman/processchemistry.py b/burnman/processchemistry.py
index b52d7fe..033536a 100644
--- a/burnman/processchemistry.py
+++ b/burnman/processchemistry.py
@@ -195,11 +195,17 @@ def ProcessSolidSolutionChemistry(formulae):
element_index=sites[site].index(element_on_site)
list_occupancies[endmember][site][element_index]=proportion_element_on_site
+ # Loop over elements after site
if len(site_split) != 1:
not_in_site=filter(None, site_split[1])
not_in_site=not_in_site.replace(mult, '', 1)
for enamenumber in re.findall('[A-Z][^A-Z]*', not_in_site):
element=filter(None, re.split(r'(\d+)', enamenumber))
+ # Look up number of atoms of element
+ if len(element) == 1:
+ nel=1.
+ else:
+ nel=float(float(element[1])
solution_formula[element[0]]=solution_formula.get(element[0], 0.0) + float(element[1])
solution_formulae.append(solution_formula)
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