change config api

paradous · Jun 5, 2019 · ced4efc · ced4efc
1 parent 97548ad
commit ced4efc
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Showing 2 changed files with 8 additions and 4 deletions.
diff --git a/mordred/_base/calculator.py b/mordred/_base/calculator.py
@@ -39,7 +39,7 @@ class Calculator(object):
         "_cache",
         "_debug",
         "_progress_bar",
-        "config",
+        "_config",
     )
 
     def __setstate__(self, dict):
@@ -94,7 +94,7 @@ def __reduce_ex__(self, version):
                 "_explicit_hydrogens": self._explicit_hydrogens,
                 "_kekulizes": self._kekulizes,
                 "_require_3D": self._require_3D,
-                "config": self.config,
+                "_config": self._config,
             },
         )
 
@@ -115,10 +115,14 @@ def __init__(self, descs=None, version=None, ignore_3D=False, config=None):
         self._kekulizes = set()
         self._require_3D = False
         self._debug = False
-        self.config = config
+        self._config = config
 
         self.register(descs, version=version, ignore_3D=ignore_3D)
 
+    def config(self, **configs):
+        r"Set global configuration."
+        self._config.update(configs)
+
     @property
     def descriptors(self):
         r"""All descriptors.

diff --git a/mordred/_base/context.py b/mordred/_base/context.py
@@ -66,7 +66,7 @@ def from_calculator(cls, calc, mol, id):
             calc._explicit_hydrogens,
             calc._kekulizes,
             id,
-            calc.config,
+            calc._config,
         )
 
     def get_coord(self, desc):