fixed reading of errors in phase cif

easyscience · Feb 14, 2025 · ca28ab7 · ca28ab7
1 parent af4b833
commit ca28ab7
Showing 1 changed file with 4 additions and 0 deletions.
diff --git a/src/easydiffraction/job/model/phase.py b/src/easydiffraction/job/model/phase.py
@@ -15,6 +15,10 @@ class Phase(ecPhase):
 
     def __init__(self, name, spacegroup=None, cell=None, atoms=None, scale=None, interface=None, enforce_sym=True, **kwargs):
         super(Phase, self).__init__(name, spacegroup, cell, atoms, scale, enforce_sym=enforce_sym)
+        # we need to overwrite cell and atoms, since ecPhase constructor doesn't append the error info
+        self.cell = cell
+        self.atoms = atoms
+        # spacegroup is not being overwritten, since no error info is being appended
         self.interface = interface
 
     def add_atom(self, *args, **kwargs):