ensure zeros in site formulae are printed as positive

geodynamics · Nov 12, 2024 · 0352c24 · 0352c24
1 parent 2218ea5
commit 0352c24
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diff --git a/burnman/classes/solution.py b/burnman/classes/solution.py
@@ -164,6 +164,8 @@ def site_formula(self, precision=2):
         for i, site_occs in enumerate(self.site_occupancies):
             formula += "["
             for species, occ in site_occs.items():
+                if np.abs(occ) < 1.e-12:
+                    occ = np.abs(occ)
                 formula += f"{species}{occ:0.{precision}f}"
             formula += split_empty[i + 1]
         return formula

diff --git a/examples/example_fit_composition.py b/examples/example_fit_composition.py
@@ -136,7 +136,7 @@
     gt.set_composition(popt)
 
     print("\nSite formula:")
-    print(gt.site_formula(2))
+    print(gt.site_formula(precision=2))
 
     print(f"\nWeighted residual: {res:.3f}")
     """