histoGe/isoparent.py at master · ffavela/histoGe · GitHub

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#import sys
import os.path
#from os.path import basename
#import re
import pandas as pd #para imprimir en forma de tabla
#from matplotlib import pyplot as plt
#import numpy as np
#from scipy.optimize import curve_fit
#from scipy import asarray as ar,exp
#from math import sqrt, pi
#import time
#import signal
#import keyboard

# mainPath=sys.path[0] # sources dir
#from myLibs.parsers import getDictFromInfoFile
#from myLibs.miscellaneus import getIdxRangeVals, WriteOutputFileRR
#from myLibs.gilmoreStats import *
#from myLibs.fitting import *
#from myLibs.autoPeakFunk import *
from myLibs.QueryDB import OpenDatabase, CloseDatabase, GetChainAndChild, GetMainChain
#from myLibs.plotting import *

def Parent(ListOpt):
    List = ListOpt.copy()
    List.pop(0)

    if len(List) == 0:
        print("error: --parent option needs an argument")
        return 400

    pathfile = os.path.realpath(__file__)
    pathfile = pathfile.strip('isoparent.py')
    conexion = OpenDatabase(pathfile)

    for Isotope in List:
        MainChainIso,Child = GetChainAndChild(conexion,Isotope)
        if MainChainIso == None or Child == None:

            print('Isotope: ' + Isotope + ' -- Parent: ' + 'None' + ' --Child: ' + 'None' +  '\n')
            print('There is not enough information in the database or the isotope ' + Isotope + ' do not have Child or parents isotopes. \n')

        else:

            MainChain = GetMainChain(conexion,MainChainIso)
            if '+' in MainChain:
                AuxStr = MainChain.split('+')[1]
                Parentiso = AuxStr.split('#')[0]
            else:
                Parentiso = MainChain[0].split('#')[0]

            print('Isotope: ' + Isotope + ' -- Parent: ' + Parentiso + ' --Child: ' + Child + '\n')

    CloseDatabase(conexion)
    return 0