def main2():
multiplot_data = []
for fname in args.inp_res:
if args.inject == None:
args.inject = -1
if (fname[-3:]).lower() == "zip":
fdata = pc_uni6(fname)
fdata.load()
fdata.xml_parse()
fdata.clean_up()
if (fname[-3:]).lower() == "res":
fdata = pc_res3(fname, reduce = args.reduce, inj_sel=args.inject)
fdata.load()
if args.extract == 'csv':
data_writer1(fname, fdata)
if args.extract == 'xlsx' and xlsx == True:
generate_xls(fdata, fname)
if args.check:
fdata.input_check(show=True)
if args.info:
fdata.showheader()
if args.points:
fdata.inject_det(show=True)
if args.user:
user = fdata.get_user()
print("User: " + user)
if args.plot:
multiplot_data.append((fdata, fname)) # Append touple with data
if args.plot and plotting:
plotterX(multiplot_data)
def main2():
for fname in args.inp_res:
if args.inject == None:
args.inject = -1
if (fname[-3:]).lower() == "zip":
fdata = pc_uni6(fname)
fdata.load()
fdata.xml_parse()
fdata.clean_up()
if (fname[-3:]).lower() == "res":
fdata = pc_res3(fname, reduce = args.reduce, inj_sel=args.inject)
fdata.load()
if args.extract == 'csv':
data_writer1(fname, fdata)
if args.extract == 'xlsx' and xlsx == True:
generate_xls(fdata, fname)
if args.check:
fdata.input_check(show=True)
if args.info:
fdata.showheader()
if args.points:
fdata.inject_det(show=True)
if args.user:
user = fdata.get_user()
print("User: " + user)
if args.plot and plotting:
plotterX(fdata, fname)
def main2():
# determine if application is a script file or frozen exe
if getattr(sys, 'frozen', False):
application_path = os.path.dirname(sys.executable)
elif __file__:
application_path = os.path.dirname(os.path.realpath(__file__))
for f in os.listdir(application_path):
if f.lower().endswith('.res'):
fname = os.path.join(application_path, f)
# for fname in args.inp_res:
if args.inject == None:
args.inject = -1
if (fname[-3:]).lower() == "zip":
fdata = pc_uni6(fname)
fdata.load()
fdata.xml_parse()
fdata.clean_up()
if (fname[-3:]).lower() == "res":
fdata = pc_res3(fname, reduce=args.reduce, inj_sel=args.inject)
fdata.load()
if args.extract == 'csv':
data_writer1(fname, fdata)
if args.extract == 'xlsx' and xlsx == True:
generate_xls(fdata, fname)
if args.check:
fdata.input_check(show=True)
if args.info:
fdata.showheader()
if args.points:
fdata.inject_det(show=True)
if args.user:
user = fdata.get_user()
print("User: " + user)
if plotting:
plotterX(fdata, fname)
def processFile(in_fname, out_fname, options, data_outs, info_outs):
resfile = pc_res3(in_fname)
# Parse the file
resfile.load()
'''
# List columns
print resfile.keys()
for k in resfile.keys():
print len(resfile[k]['data'])
'''
target_columns = ['UV'] #,'Cond','Pressure','Flow','Temp']
target_column = 'UV'
#print resfile[target_column].keys()
#sys.exit()
# Write out parameters
data_outs.write("# Run started {}\n".format(util.timestamp()))
data_outs.write("# Command: {}\n".format(' '.join(sys.argv)))
data_outs.write("# Parameters:\n")
optdict = vars(options)
for (k,v) in optdict.items():
data_outs.write("#\t{k}: {v}\n".format(k=k, v=v))
data_outs.write("# Input filename: {}\n".format(in_fname))
data_outs.write("# Output filename: {}\n".format(out_fname))
# Write output
dout = util.DelimitedOutput()
dout.addHeader('ml','Elution volume (mL)','f')
dout.addHeader(target_column,'{name} ({unit})'.format(name=resfile[target_column]['data_name'], unit=resfile[target_column]['unit']),'f')
dout.describeHeader(data_outs)
dout.writeHeader(data_outs)
format = dout.getFormat(named=True)
data_length = len(resfile[target_column]['data'])
n_written = 0
last_entry_volume = resfile[target_column]['data'][0][0]
last_entry = False
cur_entry_volume = None
# Tuples of (mL,UV)
elution_window = []
for i in range(data_length):
entry = resfile[target_column]['data'][i]
cur_entry_volume = entry[0]
cur_entry_value = entry[1]
#print last_entry_volume, cur_entry_volume
if cur_entry_volume-last_entry_volume>=options.resolution_ml or i==data_length-1:
# Compute averages
datdict = {
'ml':stats.mean([x[0] for x in elution_window]),
target_column:stats.mean([x[1] for x in elution_window])
}
# Write out
line = format.format(**datdict)
data_outs.write(line)
n_written += 1
# Reset
last_entry_volume = cur_entry_volume
elution_window = []
elution_window.append((cur_entry_volume, cur_entry_value))
# Write out stopping time
data_outs.write("# Run finished {}\n".format(util.timestamp()))
# Shut down output
if not out_fname is None:
info_outs.write("# Wrote {} lines to {}\n".format(n_written, out_fname))
def processFile(in_fname, out_fname, options, data_outs, info_outs):
resfile = pc_res3(in_fname)
# Parse the file
resfile.load()
'''
# List columns
print resfile.keys()
for k in resfile.keys():
print len(resfile[k]['data'])
'''
target_columns = ['UV'] #,'Cond','Pressure','Flow','Temp']
target_column = 'UV'
#print resfile[target_column].keys()
#sys.exit()
# Write out parameters
data_outs.write("# Run started {}\n".format(util.timestamp()))
data_outs.write("# Command: {}\n".format(' '.join(sys.argv)))
data_outs.write("# Parameters:\n")
optdict = vars(options)
for (k, v) in optdict.items():
data_outs.write("#\t{k}: {v}\n".format(k=k, v=v))
data_outs.write("# Input filename: {}\n".format(in_fname))
data_outs.write("# Output filename: {}\n".format(out_fname))
# Write output
dout = util.DelimitedOutput()
dout.addHeader('ml', 'Elution volume (mL)', 'f')
dout.addHeader(
target_column,
'{name} ({unit})'.format(name=resfile[target_column]['data_name'],
unit=resfile[target_column]['unit']), 'f')
dout.describeHeader(data_outs)
dout.writeHeader(data_outs)
format = dout.getFormat(named=True)
data_length = len(resfile[target_column]['data'])
n_written = 0
last_entry_volume = resfile[target_column]['data'][0][0]
last_entry = False
cur_entry_volume = None
# Tuples of (mL,UV)
elution_window = []
for i in range(data_length):
entry = resfile[target_column]['data'][i]
cur_entry_volume = entry[0]
cur_entry_value = entry[1]
#print last_entry_volume, cur_entry_volume
if cur_entry_volume - last_entry_volume >= options.resolution_ml or i == data_length - 1:
# Compute averages
datdict = {
'ml': stats.mean([x[0] for x in elution_window]),
target_column: stats.mean([x[1] for x in elution_window])
}
# Write out
line = format.format(**datdict)
data_outs.write(line)
n_written += 1
# Reset
last_entry_volume = cur_entry_volume
elution_window = []
elution_window.append((cur_entry_volume, cur_entry_value))
# Write out stopping time
data_outs.write("# Run finished {}\n".format(util.timestamp()))
# Shut down output
if not out_fname is None:
info_outs.write("# Wrote {} lines to {}\n".format(
n_written, out_fname))