old_contents: #!/usr/bin/env python3
  
  
  import os
  import sys
  import argparse
  import copy
  import traceback 
  from time import perf_counter
  import random
  
  # Add the bpmodule path
  thispath = os.path.dirname(os.path.realpath(__file__))
  bppath = os.path.join(os.path.dirname(thispath), "modules")
  sys.path.insert(0, bppath)
  
  import bpmodule as bp
  
  
  onemillion = 1000000
  ntest = 5*onemillion
  
  
  def Run():
      try:
  
          tester = bp.testing.Tester("Testing Molecule class")
          tester.PrintHeader()
  
          molu = bp.system.AtomSetUniverse()
  
          time0 = perf_counter()
          for i in range(0, ntest):
              molu.append(bp.system.CreateAtom([ random.uniform(-1000, 1000), random.uniform(-1000, 1000), random.uniform(-1000, 1000) ], 6, "notag"))
          mol = bp.system.Molecule(molu, True)
          time1 = perf_counter()
          bp.output.Output("NAtoms: {}\n".format(mol.NAtoms()))
          bp.output.Output("     Time to fill: {}\n".format(time1-time0))
  
  
          time0 = perf_counter()
          mol2 = mol.Translate( [ 2.0, 3.0, 4.0 ] )
          time1 = perf_counter()
          bp.output.Output("Time to translate: {}\n".format(time1-time0))
  
          time0 = perf_counter()
          mol2 = mol.Rotate( [ 0.0, 1.0, 0.0,
                               0.0, 0.0, 1.0,
                               1.0, 0.0, 0.0 ] )
          time1 = perf_counter()
          bp.output.Output("   Time to rotate: {}\n".format(time1-time0))
  
          time0 = perf_counter()
          com = mol.CenterOfMass()
          time1 = perf_counter()
          bp.output.Output(" Time to find COM: {}\n".format(time1-time0))
          bp.output.Output("COM: {}".format(com.GetCoords()))
  
  
          tester.PrintResults() 
  
  
      except Exception as e:
        bp.output.Output("Caught exception in main handler. Contact the developers\n")
        traceback.print_exc()
        bp.output.Error("\n")
        bp.output.Error(str(e))
        bp.output.Error("\n")
  
  
  
  
  bp.Init(sys.argv, out = "stdout", color = True, debug = True)
  Run()
  bp.Finalize()
  
new_contents: #!/usr/bin/env python3
  
  
  import os
  import sys
  import argparse
  import copy
  import traceback 
  from time import perf_counter
  import random
  
  # Add the bpmodule path
  thispath = os.path.dirname(os.path.realpath(__file__))
  bppath = os.path.join(os.path.dirname(thispath), "modules")
  sys.path.insert(0, bppath)
  
  import bpmodule as bp
  
  
  onemillion = 1000000
  ntest = 5*onemillion
  
  
  def Run():
      try:
  
          tester = bp.testing.Tester("Testing Molecule class")
          tester.PrintHeader()
  
          molu = bp.system.AtomSetUniverse()
  
          time0 = perf_counter()
          for i in range(0, ntest):
              molu.append(bp.system.CreateAtom([ random.uniform(-1000, 1000), random.uniform(-1000, 1000), random.uniform(-1000, 1000) ], 6, {"notag1", "notag2"}))
          mol = bp.system.Molecule(molu, True)
          time1 = perf_counter()
          bp.output.Output("NAtoms: {}\n".format(mol.NAtoms()))
          bp.output.Output("     Time to fill: {}\n".format(time1-time0))
  
  
          time0 = perf_counter()
          mol2 = mol.Translate( [ 2.0, 3.0, 4.0 ] )
          time1 = perf_counter()
          bp.output.Output("Time to translate: {}\n".format(time1-time0))
  
          time0 = perf_counter()
          mol2 = mol.Rotate( [ 0.0, 1.0, 0.0,
                               0.0, 0.0, 1.0,
                               1.0, 0.0, 0.0 ] )
          time1 = perf_counter()
          bp.output.Output("   Time to rotate: {}\n".format(time1-time0))
  
          time0 = perf_counter()
          com = mol.CenterOfMass()
          time1 = perf_counter()
          bp.output.Output(" Time to find COM: {}\n".format(time1-time0))
          bp.output.Output("COM: {}".format(com.GetCoords()))
  
  
          tester.PrintResults() 
  
  
      except Exception as e:
        bp.output.Output("Caught exception in main handler. Contact the developers\n")
        traceback.print_exc()
        bp.output.Error("\n")
        bp.output.Error(str(e))
        bp.output.Error("\n")
  
  
  
  
  bp.Init(sys.argv, out = "stdout", color = True, debug = True)
  Run()
  bp.Finalize()
  
subject: Fix tags in stress test