diff --git a/src/primingprob/priming_prob.py b/src/primingprob/priming_prob.py index 352e43b2cf392ed97725f0a9f0e5b4e93ca4c210..8088b646f85110b8c6136897c4958ba6b9d2044b 100644 --- a/src/primingprob/priming_prob.py +++ b/src/primingprob/priming_prob.py @@ -1,6 +1,6 @@ """Imports.""" import numpy as np -import scipy.constants +import scipy.constants # type: ignore class Probability: @@ -13,7 +13,7 @@ class Probability: Path to Energies.txt file 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 @@ -88,7 +88,7 @@ class Probability: para_list[d][2] = a[start_end_index] 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]) joule = 4184 # 1kcal = 4184 joule @@ -98,10 +98,10 @@ class Probability: para_list[z][inter_energy] = para_list[z][inter_energy] * joule 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 - 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.