Item.replace(" ", "").replace("\t", "") for Item in MoleculeList
]
TempRange = np.arange(TempStart, TempStop + TempStep,
TempStep) #Temperature in K
expP_Range = np.arange(expP_Start, expP_Stop - expP_Step,
-expP_Step) #Pressure in log(P) atm
WaveNumberStart = 1. / (HighWavelength * 1.e-7) #in per cm
WaveNumberStop = 1. / (LowWavelength * 1.e-7) #in per cm
WaveNumberRange = np.arange(WaveNumberStart, WaveNumberStop, WN_Resolution)
for Molecule in MoleculeList:
print("\n\n Starting Molecule::", Molecule)
StartTime = time()
Database = ReadData(Molecule, Location="data/")
#initiate the saving matrix for each case
SigmaMatrix = np.zeros(
(len(TempRange), len(expP_Range), len(WaveNumberRange)),
dtype=np.float32)
print("The shape of the Sigma Matrix is given by:", np.shape(SigmaMatrix))
for TempCount, TempValue in enumerate(TempRange):
for PCount, expPValue in enumerate(expP_Range):
P_Value = 10**expPValue
print("-" * 15)
print("Temperature:", TempValue)
print("Pressure:", P_Value)
import numpy as np
import matplotlib.pyplot as plt
from lib.ReadComputeFunc import ReadData
CrossSection = ReadData("TestData")