Added multiprocessing to run_system method of Processor class

vermouth/processors/processor.py

@@ -16,7 +16,8 @@
 """
 Provides an abstract base class for processors.
 """
-
+import multiprocessing
+import functools
 
 class Processor:
  """
@@ -32,10 +33,18 @@ def run_system(self, system):
  system: vermouth.system.System
  The system to process. Is modified in-place.
  """
- mols = []
- for molecule in system.molecules:
- mols.append(self.run_molecule(molecule))
- system.molecules = mols
+ if self.nproc and self.nproc > 1:
+ pool = multiprocessing.Pool(self.nproc)
+ partial_run_molecule = functools.partial(self.run_molecule, force_field=system.force_field,
+ allow_name=self.allow_name,
+ allow_dist=self.allow_dist,
+ fudge=self.fudge)
+ system.molecules = pool.map(partial_run_molecule, system.molecules)
+ else:
+ mols = []
+ for molecule in system.molecules:
+ mols.append(self.run_molecule(molecule))
+ system.molecules = mols
 
  def run_molecule(self, molecule):
  """