From 0352c24b2dc71686033507e596dfb260944cc699 Mon Sep 17 00:00:00 2001
From: Bob Myhill <myhill.bob@gmail.com>
Date: Tue, 12 Nov 2024 14:54:32 +0000
Subject: [PATCH] ensure zeros in site formulae are printed as positive

---
 burnman/classes/solution.py         | 2 ++
 examples/example_fit_composition.py | 2 +-
 2 files changed, 3 insertions(+), 1 deletion(-)

diff --git a/burnman/classes/solution.py b/burnman/classes/solution.py
index 31cdcf9c..b72afffc 100644
--- 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
index f5059298..ff9df6c7 100644
--- 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}")
     """