def center_of_mass(H2pair, coord):
num_H2pair = len(H2pair[:])
COMcoord = []
for i in range(num_H2pair):
H1index = H2pair[i][0]
H2index = H2pair[i][1]
H1 = coord[H1index][:]
H2 = coord[H2index][:]
# make sure if the two H atoms are bonded
d = mymath.norm(H1, H2)
if d > 1.2:
print 'WARNING: Your H2', H1index, H2index, 'seems dissociated, bond length=', d, 'angstrom'
Hcom = mymath.average(H1, H2)
COMcoord.append(Hcom)
return COMcoord
def average(values):
nvals = len(values)
sum = 0.0
for v in values:
sum += v
return float(sum) / nvals
## my script using the math module ##
import mymath #
values = [2, 4, 6, 8, 10]
print('squares:')
for v in values:
print(mymath.square(v))
print('Cubes:')
for v in values:
print(mymath.cube(v))
print('average: ' + str(mymath.average(values)))
import mymath as mt
print(mt.square(2))
print(mt.square(3))
## My script using the math module ##
import mymath # note no .py
values = [2, 4, 6, 8, 10]
print('squares:')
for v in values:
print(mymath.square(v))
print('Cubes:')
for v in values:
print(mymath.cube(v))
print('Average: ' + str(mymath.average(values)))
import mymath as a
values=[1,4,6,8,10]
print('squares:')
for v in values:
print(a.square(v))
print ('cubes')
for v in values:
print(a.cube(v))
print('average:'+ str(a.average(values)))
import mymath print "*" * 40 print "Average ", mymath.average([2.0, 3.0, 4.0, 5.0])
import mymath
import re
s = input("Give me numbers separated by comma?")
try:
numbers = [float(x) for x in re.split(r",\s*", s)]
print("Average:", mymath.average(numbers))
except ValueError:
print("Invalid input.")
import mymath
values = [2, 4, 6, 8, 10]
print('squares:')
for v in values:
print(mymath.square(v))
print('cubes:')
for v in values:
print(mymath.cube(v))
print('average' + str(mymath.average(values)))
