This is my code:
H, M = input().split(' ')
if H == 0 and M < 45:
H = 23, M = 60 - (M-45)
elif M < 45:
M = 60 - (M-45)
else:
M = M - 45
print(H, M)
And this is the error message. I do not understand how 23 is not "literal".
H = 23, M = 60 - (M-45)
^
SyntaxError: cannot assign to literal
If you want to put multiple statements on one line (which is not recommended because it typically makes the code less readable), you need to separate them with a ; (semicolon), not a , (comma):
>>> a = 0, b = 1
File "<stdin>", line 1
SyntaxError: cannot assign to literal
>>> a = 0; b = 1
>>> a, b
(0, 1)
Related
I have been trying to use the partial charge of one particular ion to go through a calculation within mdanalysis.
I have tried(This is just a snippet from the code that I know is throwing the error):
Cl = u.select_atoms('resname CLA and prop z <= 79.14')
Lz = 79.14 #Determined from system set-up
Q_sum = 0
COM = 38.42979431152344 #Determined from VMD
file_object1 = open(fors, 'a')
print(dcd, file = file_object1)
for ts in u.trajectory[200:]:
frame = u.trajectory.frame
time = u.trajectory.time
for coord in Cl.positions:
q= Cl.total_charge(Cl.position[coord][2])
coords = coord - (Lz/COM)
q_prof = q * (coords + (Lz / 2)) / Lz
Q_sum = Q_sum + q_prof
print(q)
But I keep getting an error associated with this.
How would I go about selecting this particular atom as it goes through the loop to get the charge of it in MD Analysis? Before I was setting q to equal a constant and the code ran fine so I know it is only this line that is throwing the error:
q = Cl.total_charge(Cl.position[coord][2])
Thanks for the help!
I figured it out with:
def Q_code(dcd, topo):
Lz = u.dimensions[2]
Q_sum = 0
count = 0
CLAs = u.select_atoms('segid IONS or segid PROA or segid PROB or segid MEMB')
ini_frames = -200
n_frames = len(u.trajectory[ini_frames:])
for ts in u.trajectory[ini_frames:]:
count += 1
membrane = u.select_atoms('segid PROA or segid PROB or segid MEMB')
COM = membrane.atoms.center_of_mass()[2]
q_prof = CLAs.atoms.charges * (CLAs.positions[:,2] + (Lz/2 - COM))/Lz
Q_instant = np.sum(q_prof)
Q_sum += Q_instant
Q_av = Q_sum / n_frames
with open('Q_av.txt', 'a') as f:
print('The Q_av for {} is {}'.format(s, Q_av), file = f)
return Q_av
I am trying to compute a series, and I am running into an issue that I don't know why is occurring.
"RuntimeWarning: divide by zero encountered in double_scalars"
When I checked the code, it didn't seem to have any singularities, so I am confused. Here is the code currently(log stands for natural logarithm)(edit: extending code if that helps):
from numpy import pi, log
#Create functions to calculate the sums
def phi(z: int):
k = 0
phi = 0
#Loop through 1000 times to try to approximate the series value as if it went to infinity
while k <= 100:
phi += ((1/(k+1)) - (1/(k+(2*z))))
k += 1
return phi
def psi(z: int):
psi = 0
k = 1
while k <= 101:
psi += ((log(k))/( k**(2*z)))
k += 1
return psi
def sig(z: int):
sig = 0
k = 1
while k <= 101:
sig += ((log(k))**2)/(k^(2*z))
k += 1
return sig
def beta(z: int):
beta = 0
k = 1
while k <= 101:
beta += (1/(((2*z)+k)^2))
k += 1
return beta
#Create the formula to approximate the value. For higher accuracy, either calculate more derivatives of Bernoulli numbers or increase the boundry of k.
def Bern(z :int):
#Define Euler–Mascheroni constant
c = 0.577215664901532860606512
#Begin computations (only approximation)
B = (pi/6) * (phi(1) - c - 2 * log(2 * pi) - 1) - z * ((pi/6) * ((phi(1)- c - (2 * log(2 * pi)) - 1) * (phi(1) - c) + beta(1) - 2 * psi(1)) - 2 * (psi(1) * (phi(1) - c) + sig(1) + 2 * psi(1) * log(2 * pi)))
#output
return B
A = int(input("Choose any value: "))
print("The answer is", Bern(A + 1))
Any help would be much appreciated.
are you sure you need a ^ bitwise exclusive or operator instead of **? I've tried to run your code with input parameter z = 1. And on a second iteration the result of k^(2*z) was equal to 0, so where is from zero division error come from (2^2*1 = 0).
I want to use the limits (Ef-e*V) and Ef as lower and upper limits in my Definite integral. where Ef is given 10 electron volts , e is the electronic charge and I want the ans in terms of V
How would i DO THAT????
PLEASE HELP
from scipy.integrate import quad
import sympy as sp
import math
e = 1.6 * (10 ** -19)
L = 10 ** -9
h = 6.626 * (10 ** -34)
h_cut = 1.05 * (10 ** -34)
m = 9.11 * (10 ** -31)
V0 = 4.0*e # in J
EF = 10.0*e # in J
E = sp.Symbol('E')
V = sp.Symbol('V')
def f(E):
j = (4 * E * (V0 - E)) / (4 * E * (V0 - E) + V0 ** 2 * ((2 * m * (V0 - E)) * ((L / h_cut) ** 2)))
return j
i, err = quad(f, EF - e * V, EF)
print('i= ', i)
I = (2 * e * i) / h
print(I)
```
THE error is as follows:
Traceback (most recent call last):
File "C:/Users/Subham/Desktop/Integration/integration.py", line 22, in <module>
i, err = quad(f, EF - e * V, EF)
File "C:\Users\Subham\AppData\Local\Programs\Python\Python37-32\lib\site-packages\scipy\integrate\quadpack.py", line 337, in quad
flip, a, b = b < a, min(a, b), max(a, b)
File "C:\Users\Subham\Desktop\Integration\venv\lib\site-packages\sympy\core\relational.py", line 304, in __nonzero__
raise TypeError("cannot determine truth value of Relational")
TypeError: cannot determine truth value of Relational
Since you are using SymPy, you could do the integral there. It works best if you work with Rational numbers, however, so we do this
>>> gx = nsimplify(f(x), rational=True)
Then compute the integral
>>> i = integrate(gx, (x,EF-e*V,EF))
And display it at whatever precision you desire. Here is the result to 2 sigfigs on each number:
>>> nfloat(i, 2)
1.6e-19*V + 1.7e-17*log(1.9e-17 - 1.6e-19*V) + 6.5e-16
I have a sequence of numbers as follows:
1 , 1, 5, 13, 41, 121, 365, ....
The first two values are:
N(1) = 1 and N(2) = 1
As from 3rd value, N(i) = 2*N(i-1) + 3*N(i-2)
The issue I am facing with is: If I give an argument of p, it should return me the last values of the sequence < p (Using fortran77).
For instance, if p = 90, it should return the value 41.
a = 1
b = 1
while b < p:
c = 2 * b + 3 * a
a = b
b = c
return a
The Fortran equivalent is:
function fct(p) result(a)
integer, intent(in) :: p
integer :: a, b, c
a = 1
b = 1
do while (b < p)
c = 2 * b + 3 * a
a = b
b = c
enddo
end function
program test
integer :: fct
external fct
print *,fct(90)
end program
Assuming you already have the sequence in a variable lst, and p set,
max(filter(lambda x:x<=p, lst))
def get_last_element(p):
n1 = 1
n2 = 1
while True:
if n2 > p:
return n1
n1, n2 = n2, 2*n2 + 3 * n1
print(get_last_element(90))
I wrote a piece of code in Fortran 2003. I defined a type which has memory for two last parts of the sequence.The procedure is a recursive function. The type can be used standalone to get n-th part of the sequence or efficiently placed in a loop to find parts in a row (not necessarily beginning at 1) as it has memory of previous parts. (compiler: gfortran 4.8).
The type is defined in mymod.f90 file as
module mymod
implicit none
type seq_t
integer :: saved_i = 0, saved_val_i = 0, saved_val_i_1 = 0
contains
procedure :: getpart => getpart_seq
end type
contains
recursive function getpart_seq(this,i) result(r)
class(seq_t) :: this
integer, intent(in) :: i
integer :: r,r_1,r_2
if (i.eq.1.or.i.eq.2) then
r = 1
elseif(i.eq.this%saved_i) then
r = this%saved_val_i
elseif(i.eq.this%saved_i-1) then
r = this%saved_val_i_1
else
r_1 = this%getpart(i-1)
r_2 = this%getpart(i-2)
r = 2*r_1 + 3*r_2
this%saved_val_i_1 = r_1
end if
this%saved_i = i
this%saved_val_i = r
end function getpart_seq
end module mymod
The main program for the requested case is
program main
use mymod
implicit none
type (seq_t) :: seq
integer :: i,p,tmp_new,tmp_old,ans
! Set the threshold here
p = 90
! loop over parts of the sequence
i = 0
do
i = i + 1
tmp_new = seq%getpart(i)
print*,tmp_new
if (tmp_new>p) then
ans = tmp_old
exit
end if
tmp_old = tmp_new
end do
print*,"The last part of sequence less then",p," is equal to",ans
end program
The outcome is
1
1
5
13
41
121
The last part of sequence less then 90 is equal to 41.
given these inputs x = 4, S = [1 2 3 4 5 6 7 8 9 10], and n = 10
search (x,S,n) {
i = 1
j = n
while i < j {
m = [(i+j)/2]
if x > Sm then i=n+1
else j = m
end
if x = Si then location = i
else location = 0
This code is not from any particular language its just from my discrete math hw, but I'm confused as to what Sm would equal on the first iteration because m would be 11/2. If i use a fraction as the index do I round down? Is there a general rule for this? Am I making any sense? Help pls