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163 lines (143 loc) · 7.92 KB
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import math
import sys
from scipy import special
def isomer(aaiso, ciso, conj, conq, coniso, dii, drrho, drrhoh, eergi, egiso, exki,
fciso, ffiso, fjh, fregi, niso, ngrpi, ndr, nt, ngroup, q, qh, rho,
rhoh, r, rerg, rgisoi, rootki, soriso, tau):
tiso = tau - ciso
#IF (TISO) 10, 20, 20 #10
if (tiso < 0):
#RETURN
return
rtiso = math.sqrt(tiso) #20
l = 1
while (l < niso):
exki[l-1] = math.exp(-tiso*dii[l-1]) #Changed [l] to [l-1] because Python arrays start at 1.
rtkii[l-1] = math.sqrt(tiso*dii[l-1]) #Changed [l] to [l-1]
soriso[l-1] = ai[l-1]*exxi[l-1] #Changed [l] to [l-1]
l += 1
#CONTINUE end while loop #30
i = 1
j = 1
k = 1
l = 1
while (i < ndr): #ENDS AT 220
ri = 1/r[i-1] #Changed [i] to [i-1]
r2i = ri * ri
cj = conj * r2i
cq = conq * r2i
while (j < nt): #ENDS AT 140
cur = 0.0
qrh = 0.0
cqh = cq * rhoh[i-1][j-1] #Changed [i] and [j] to [i-1] [j-1]
avrad = drrhoh[i-1][j-1] * ri #Changed [i] and [j] to [i-1] [j-1]
while (k < ngroup): #ENDS AT 130
gmfp = drrhoh[i-1][j-1] * rgisoi[k-1] #Changed [x] to [x-1]
emfp = math.exp(-gmfp)
facto = fciso[k-1] + ffiso[k-1] * gmfp #Changed [x] to [x-1]
consj = cj * rergi[k-1] * emfp #Changed [x] to [x-1]
consq = cqh * eergi[k-1] * emfp #Changed [x] to [x-1]
aj = avrad * 20550000 * math.sqrt(gmfp)
ah = (1.186 - 0.062 * egiso[k-1]) * aj #Changed [x] to [x-1]
fkj = factor * 10000/(1.0+bbiso[k-1]*gmfp) #Changed [x] to [x-1]
fkq = facto * 10000/(1.1+aaiso[k-1]*gmfp) #Changed [x] to [x-1]
exfkj = math.sqrt(-rtiso*fkj)
exkfg = math.sqrt(-rtiso*fkq)
while (l < niso): #ENDS AT 120
cifkj = rootki[l-1] * fkj #Changed [x] to [x-1]
cifkg = rootki[l-1] * fkq #Changed [x] to [x-1]
xj1 = cifkj * 0.5
xq1 = cifkq * 0.5
cixj = xj1**2 # xj1 squared
cixq = xq1**2 # xq1 squared
excixj = math.exp(-cixj)
excixq = math.exp(cixq)
daj = exfkj - exki[l-1] #Changed [x] to [x-1]
daq = exfkq - exki[l-1] #Changed [x] to [x-1]
daj = aj * coniso[l-1] * daj #Changed [x] to [x-1]
daq = ah * coniso[l-1] * daq #Changed [x] to [x-1]
dbj = cifkj * exki[l-1] * excixj * aj * coniso[l-1] #Changed [x] to [x-1]
dbq = cifkq * exki[l-1] * excixg * ah * coniso[l-1] #Changed [x] to [x-1]
xj2 = rtkii[l-1] - xj1 #Changed [x] to [x-1]
xq2 = rtkii[l-1] - xq1 #Changed [x] to [x-1]
# if (xj2) 40, 50, 60
# go to 40 if neg, go to 50 if 0, go to 60 if positive
if (xj2 < 0): #if neg
xj2 = -xj2 #40
# CALLING dawsn FUNCTIONS. wasn't sure where these would be, so I'm just calling special.METHODNAME
convj = daj + dbj * (special.dawsn(xj1) - special.dawsn(xj2))
#GOTO 70
elif (xj2 == 0):
convj = daj + dbj * special.dawsn(xj1) #50
#GO TO 70
else: #elif (xj2 > 0)
convj = daj + dbj * special.dawsn(xj1) + special.dawsn(xj2) #60
#CONTINUE #70
if (xq2 < 0):
xq2 = -xq2 #80
convq = daq + dbq * (special.dawsn(xq1) - special.dawsn(xq2))
#GO TO 110
elif (xq2 == 0):
convq = daq + dbq * special.dawsn(xq1) #90
#GO TO 110
else: #elif (xq2 > 0):
convq = daq + dbq * (special.dawsn(xq1) + special.dawsn(xq2))#100
#CONTINUE #110
cur = (convj + soriso[l-1]) * consj * fregi[k-1] + cur #Changed [x] to [x-1]
qrh = (convq + soriso[l-1]) * consq * fregi[k-1] + qrh #Changed [x] to [x-1]
l += 1
#CONTINUE end while loop l #120
k += 1
# CONTINUE end while loop k #130
fjh[i-1][j-1] = cur + fjh[i-1][j-1] #Changed [x] to [x-1]
qh[i-1][j-1] = qrh + qh[i-1][j-1] #Changed [x] to [x-1]
j += 1
#CONTINUE end while loop j #140
j = 1
k = 1
l = 1
while (j < ntm1): #ENDS AT 210
qrg = 0.0
cqg = cq * rho[i-1][j-1] #Changed [x] to [x-1]
avrad = drrho[i-1][j-1] * ri #Changed [x] to [x-1]
while (k < ngrpi): #ENDS AT 200
gmfp = drrho[i-1][j-1] * rgisoi[k-1] #Changed [x] to [x-1]
facto = fciso[k-1] + ffiso[k-1] + gmfp #Changed [x] to [x-1]
consg = cqg * eergi[k-1] * exp(-gmfp) #Changed [x] to [x-1]
ag = avrad * (1.186 - 0.062 *
egiso[k-1]) * 20550000 * math.sqrt(gmfp) #Changed [x] to [x-1]
fkg = facto * 10000/(1.1+aaiso[k-1] * gmfp) #Changed [x] to [x-1]
exfkg = math.exp(-rtiso * fkg)
while (l < niso): #ENDS AT 190
cifkg = rootki[l-0] * fkg #Changed [x] to [x-1]
xg1 = cifkg * 0.5
cixg = xg1**2
excixg = math.exp(-cixg)
dag = exfkg - exki[l-1] #Changed [x] to [x-1]
dag = ag * coniso[l-1] * dag #Changed [x] to [x-1]
dbg = cifkg * exki[l-1] * excixg * ag * coniso[l-1] #Changed [x] to [x-1]
xg2 = rtkii[l-1] - xg1 #Changed [x] to [x-1]
# if (xg2) 150, 160, 170
# go to 150 if neg, go to 160 if 0, go to 170 if positive
if (xg2 < 0):
xg2 = -xg2 #150
convg = dag + dbg * \
(special.dawsn(xg1) - special.dawsn(xg2))
#GO TO 180
elif (xg2 == 0):
convg = dag + dbg * special.dawsn(xg1) #160
#GO TO 180
else: #elif (xg2 > 0)
convg = dag + dbg * (special.dawsn(xg1) + special.dawsn(xg2)) #170
# CONTINUE end if/else #180
qrg = (convg + soriso[l-1]) * consg * fregi[k-1] + qrg #Changed [x] to [x-1]
l += 1
#CONTINUE end while loop l #190
k += 1
#CONTINUE end while loop k #200
q[i-1][j-1] = qrg + q[i-1][j-1] #Changed [x] to [x-1]
j += 1
#CONTINUE end while loop j #210
i += 1
#CONTINUE end while loop i #220
# return