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)))