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Andrew Dalke committed b890ad1

Oops! Need to break ties for the largest atom size using largest bond size, and vice versa

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Files changed (1)

benchmark/mcsbench.py

         yield smiles, int(num_atoms), int(num_bonds)
 
 def get_largest_atoms(size_file):
-    return max(get_sizes(size_file), key = lambda (smiles, num_atoms, num_bonds): num_atoms)
+    return max(get_sizes(size_file), key = lambda (smiles, num_atoms, num_bonds): (num_atoms, num_bonds))
 
 def get_largest_bonds(size_file):
-    return max(get_sizes(size_file), key = lambda (smiles, num_atoms, num_bonds): num_bonds)
+    return max(get_sizes(size_file), key = lambda (smiles, num_atoms, num_bonds): (num_bonds, num_atoms))
 
 def _run_moss(data, args):
     dirname = tempfile.mkdtemp(prefix="moss")