From 5bd4d9cd9430be18e3f240058e2fd9d08cfa920f Mon Sep 17 00:00:00 2001
From: Evan Kiefl <kiefl.evan@gmail.com>
Date: Mon, 29 Apr 2024 16:33:55 -0700
Subject: [PATCH] Make compatible with iminuit >= 2.0.0

---
 tmscoring/tmscore.py | 25 +++++++++++++++++--------
 1 file changed, 17 insertions(+), 8 deletions(-)

diff --git a/tmscoring/tmscore.py b/tmscoring/tmscore.py
index 058fe00..375429e 100644
--- a/tmscoring/tmscore.py
+++ b/tmscoring/tmscore.py
@@ -123,13 +123,22 @@ def optimise(self, restart=True):
         else:
             default = self.get_current_values()
 
-        m = iminuit.Minuit(self, error_theta=0.1, error_phi=0.1, error_psi=0.1,
-                           error_dx=1, error_dy=1, error_dz=1, print_level=0, pedantic=False,
-                           errordef=self.errordef(),
-                           **default)
+        m = iminuit.Minuit(self, **default)
+
+        m.errors['theta'] = 0.1
+        m.errors['phi'] = 0.1
+        m.errors['psi'] = 0.1
+        m.errors['dx'] = 1
+        m.errors['dy'] = 1
+        m.errors['dz'] = 1
+
+        m.errordef = self.get_errordef()
+        m.print_level = 0
+
         m.migrad()
 
-        _values = m.values
+        _values = {name: m.values[name] for name in m.parameters}
+
         self._values = _values
         return _values, self.tmscore(**_values), self.rmsd(**_values)
 
@@ -307,7 +316,7 @@ def __call__(self, theta, phi, psi, dx, dy, dz):
         return self._tm(theta, phi, psi, dx, dy, dz).sum()
 
     @staticmethod
-    def errordef():
+    def get_errordef():
         return 0.01
 
 
@@ -320,7 +329,7 @@ def __call__(self, theta, phi, psi, dx, dy, dz):
         return self._s(theta, phi, psi, dx, dy, dz).sum()
 
     @staticmethod
-    def errordef():
+    def get_errordef():
         return 0.01
 
 
@@ -333,7 +342,7 @@ def __call__(self, theta, phi, psi, dx, dy, dz):
         return self._rmsd(theta, phi, psi, dx, dy, dz).sum()
 
     @staticmethod
-    def errordef():
+    def get_errordef():
         return 0.05