Merge pull request #230 from pmrv/ed2s

srmnitc · web-flow · commit 478569cab1f6 · 2026-03-10T15:19:41.000+01:00
Drop dict_to_string
diff --git a/calphy/composition_transformation.py b/calphy/composition_transformation.py
@@ -134,13 +134,6 @@ def __init__(self, calc):
         self.mappingdict = None
         self.prepare_mappings()
 
-    def dict_to_string(self, inputdict):
-        strlst = []
-        for key, val in inputdict.items():
-            strlst.append(str(key))
-            strlst.append(str(val))
-        return "".join(strlst)
-
     @property
     def entropy_contribution(self):
         """
diff --git a/calphy/input.py b/calphy/input.py
@@ -760,8 +760,7 @@ def _validate_all(self) -> "Input":
             )
             if not (natoms1 == natoms2):
                 raise ValueError(
-                    f"Input and output number of atoms are not conserved! Input {self.dict_to_string(self.input_chemical_composition)}, output {self.dict_to_string(self.output_chemical_composition)}, total atoms in structure {structure.natoms}"
-                )
+                    f"Input and output number of atoms are not conserved! Input {self.composition_scaling._input_chemical_composition}, output {self.composition_scaling.output_chemical_composition}, total atoms in structure {len(structure)}")
         return self
 
     def fix_paths(self, potlist):

Original file line number	Diff line number	Diff line change
`@@ -760,8 +760,7 @@ def _validate_all(self) -> "Input":`
`760`	`760`	`)`
`761`	`761`	`if not (natoms1 == natoms2):`
`762`	`762`	`raise ValueError(`
`763`		`- f"Input and output number of atoms are not conserved! Input {self.dict_to_string(self.input_chemical_composition)}, output {self.dict_to_string(self.output_chemical_composition)}, total atoms in structure {structure.natoms}"`
`764`		`- )`
	`763`	`+ f"Input and output number of atoms are not conserved! Input {self.composition_scaling._input_chemical_composition}, output {self.composition_scaling.output_chemical_composition}, total atoms in structure {len(structure)}")`
`765`	`764`	`return self`
`766`	`765`
`767`	`766`	`def fix_paths(self, potlist):`