text: """
  """
  
  
  import os
  from csv import reader
  from pickle import load, dump
  
  from dmim_analysis.analysis import analyze_compound_targeted
  from dmim_analysis.plots import atd_with_fit
  
  
  with open('combined_cal.pickle', 'rb') as pf:
      cal = load(pf)
  
  
  with open('D:/DMIM_HT/analysis/replicates/rerun_p2r3.csv', 'r') as f:
      rdr = reader(f)
      for name_adduct, well_loc, mz, ccs_rep1 in rdr:
          mz, ccs_rep1 = float(mz), float(ccs_rep1)
          print('analyzing {} ...'.format(name_adduct), end=' ')
          f_rxn = 'D:/DMIM_HT/data/20191210/DHR20191210_p722_{}_pos.raw'.format(well_loc)
          try:
              cmpd = analyze_compound_targeted(name_adduct, mz, f_rxn, 0, 1, 0.1, cal)
          except KeyboardInterrupt:
              print('\n! EXITING !')
              exit()
          except Exception as e:
              print(e)
              cmpd = None
          if cmpd:
              p_err = 100. * (cmpd['ccs'] - ccs_rep1) / ccs_rep1
              print('CCS: {:.2f} <-> rep1 CCS: {:.2f} ({:+.1f} %) ...'.format(cmpd['ccs'], ccs_rep1, p_err), end=' ')
              save_name = name_adduct.replace(' ', '_')
              prefix = 'compounds_p2/'
              with open(os.path.join(prefix, '{}.pickle'.format(save_name)), 'wb') as pf:
                  dump(cmpd, pf)
              atd_with_fit(name_adduct, mz, cmpd['ccs'], cmpd['meta']['atd_fit_params'], cmpd['meta']['atd'], 
                           cmpd['meta']['lc_fit_params'], cmpd['meta']['lc'], 0.1, prefix)
              print('ok')
          else:
              print('failed')
  
  
  
  
  