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Commit b4cd2abb authored by Melvin Alappat's avatar Melvin Alappat
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feat: ignoring mypy

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"""Imports.""" """Imports."""
import numpy as np import numpy as np
import scipy.constants import scipy.constants # type: ignore
class Probability: class Probability:
...@@ -13,7 +13,7 @@ class Probability: ...@@ -13,7 +13,7 @@ class Probability:
Path to Energies.txt file Path to Energies.txt file
Returns: Returns:
my_list (list): Contains all the paramter lines from Energies.txt my_list (list): Contains the paramter lines from Energies.txt
""" """
Energies = open(input_path, "r") # ouput of RIblast Energies = open(input_path, "r") # ouput of RIblast
...@@ -88,7 +88,7 @@ class Probability: ...@@ -88,7 +88,7 @@ class Probability:
para_list[d][2] = a[start_end_index] para_list[d][2] = a[start_end_index]
for k in range(0, len(para_list)): # type-conversion of ID and E for k in range(0, len(para_list)): # type-conversion of ID and E
for w in range(0, 2): # "2" because the first two elements in each sublist are ID and E for w in range(0, 2): # "2" because first two elements in each sublist are ID and E
para_list[k][w] = float(para_list[k][w]) para_list[k][w] = float(para_list[k][w])
joule = 4184 # 1kcal = 4184 joule joule = 4184 # 1kcal = 4184 joule
...@@ -98,10 +98,10 @@ class Probability: ...@@ -98,10 +98,10 @@ class Probability:
para_list[z][inter_energy] = para_list[z][inter_energy] * joule para_list[z][inter_energy] = para_list[z][inter_energy] * joule
T = 300.15 # Roomtemperature (27 degree celsius) in Kelvin T = 300.15 # Roomtemperature (27 degree celsius) in Kelvin
kT = scipy.constants.R * T # calculating gas constant R * T KT = scipy.constants.R * T # calculating gas constant R * T
for u in range(0, len(para_list)): # calculating -E / RT for u in range(0, len(para_list)): # calculating -E / RT
para_list[u][inter_energy] = (-(para_list[u][inter_energy])/kT) para_list[u][inter_energy] = (-(para_list[u][inter_energy])/KT)
prob_list = [] # List containing all the prob. prob_list = [] # List containing all the prob.
......
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