bug in Periodic.py?

[mkrompiec]

I'm trying to run an MD simulation in PBC, using ChemSpider-trained network:

def EnAndForce(z_, x_, nreal_, DoForce = True):
mtmp = Mol(z_,x_)
en,f = manager.EvalBPDirectEEUpdateSinglePeriodic(mtmp, PARAMS["AN1_r_Rc"],
PARAMS["AN1_a_Rc"], PARAMS["EECutoffOff"], nreal_,True)
return en[0], f[0]

lat=Lattice(np.eye(3)*70) # 70 angstrom box
m.properties["Lattice"]=lat
PARAMS["MDThermostat"] = "Nose"
PARAMS["MDTemp"] = 300
PARAMS["MDdt"] = 0.1 # fs
PARAMS["RemoveInvariant"]=True
PARAMS["MDV0"] = "Random"
PARAMS["MDMaxStep"] = 10000
PF = PeriodicForce(m,np.eye(3)*70) #m.properties["Lattice"])
PF.BindForce(EnAndForce, 70.0)
PARAMS["MDTemp"] = 300.0
PARAMS["MDdt"] = 0.05 # In fs.
traj = PeriodicVelocityVerlet(PF,"sim_300K")
traj.Prop()

Traceback (most recent call last):
File "runmd.py", line 79, in
traj.Prop()
File "/mainfs/scratch/mk1a18/TensorMol/TensorMol/Simulations/PeriodicMD.py", line 144, in Prop
LOGGER.info("Step: %i time: %.1f(fs) (kJ/mol): %.5f <|a|>(m/s2): %.5f (Eh): %.5f (kJ/mol): %.5f Rho(g/cm**3): %.5f Teff(K): %.5f", step, self.t, self.KE/1000.0, np.linalg.norm(self.a) , self.EPot, self.KE/1000.0+self.EPot*KJPERHARTREE,self.Density(), Teff)
File "/mainfs/scratch/mk1a18/TensorMol/TensorMol/Simulations/PeriodicMD.py", line 106, in Density
return self.PForce.Density()
File "/mainfs/scratch/mk1a18/TensorMol/TensorMol/ForceModifiers/Periodic.py", line 309, in Density
m = np.array(map(lambda x: ATOMICMASSES[x-1], self.mol0.atoms))*1000.0
TypeError: unsupported operand type(s) for *: 'map' and 'float'

[mkrompiec]

I think this is a Python 2->3 bug.
I changed line 309 in Periodic.py:
m = np.array(map(lambda x: ATOMICMASSES[x-1], self.mol0.atoms))*1000.0
to:
m = np.array(list(map(lambda x: ATOMICMASSES[x-1], self.mol0.atoms)))*1000.0
and it seems to be working