From d3b1002a171204ae7ce077429b1b4a7da40adc15 Mon Sep 17 00:00:00 2001 From: Bob Myhill Date: Sun, 17 Dec 2023 00:59:08 +0000 Subject: [PATCH] give simplified endmembers useful name --- burnman/tools/polytope.py | 10 +++++++++- 1 file changed, 9 insertions(+), 1 deletion(-) diff --git a/burnman/tools/polytope.py b/burnman/tools/polytope.py index c8471679..9942e5e5 100644 --- a/burnman/tools/polytope.py +++ b/burnman/tools/polytope.py @@ -258,9 +258,17 @@ def simplify_composite_with_composition(composite, composition): f = sol[0] except AttributeError: f = None + new_name = f"{ph.name} (transformed)" soln = transform_solution_to_new_basis( - ph, new_basis, molar_fractions=f + ph, new_basis, solution_name=new_name, molar_fractions=f ) + for h, name in enumerate(soln.endmember_names): + if name == "User-created endmember": + new_name = ( + f"Derived member (occupancies: {soln.endmembers[h][1]})" + ) + soln.endmembers[h][0].name = new_name + soln.endmember_names[h] = new_name new_phases.append(soln) else: logging.info(