inputFile = './data/5.leaderboard_data-1.txt'
#inputFile = 'C:/Users/Ashis/Downloads/dataset_102_4 (1).txt'
outputFile = './results/5.leaderboard.txt'
aminoAcidMassMapFile = './data/integer_mass_table.txt'
# set current directory
os.chdir(curDir)
# read input
with open(inputFile) as f:
N = int(f.readline().strip())
spectrumLine = f.readline().strip()
spectrum = [int(n) for n in spectrumLine.split(" ")]
# load SeqUtil methods
sys.path.append('code')
import SeqUtil
importlib.reload(SeqUtil)
### original work ####
# load amion acid mass
AAMassMap = SeqUtil.loadAminoAcidMass(aminoAcidMassMapFile)
# generate sequence from spectrum
seq = SeqUtil.leaderboardCyclopeptideSequencing(spectrum, N,
AAMassMap.values())
# output
with open(outputFile, "w") as f:
f.writelines("-".join([str(s) for s in seq]))
inputFile = './data/3.theoretical-spectrum-data-1.txt'
#inputFile = 'C:/Users/Ashis/Downloads/dataset_98_3.txt'
outputFile = './results/3.theoretical-spectrum.txt'
aminoAcidMassMapFile = './data/integer_mass_table.txt'
# set current directory
os.chdir(curDir)
# read input
with open(inputFile) as f:
peptide = f.readline().strip()
# load SeqUtil methods
sys.path.append('code')
import SeqUtil
importlib.reload(SeqUtil)
### original work ####
# load amion acid mass
AAMassMap = SeqUtil.loadAminoAcidMass(aminoAcidMassMapFile)
# generate spectrum
spectrum = SeqUtil.cyclospectrum(peptide, AAMassMap)
# output
with open(outputFile, "w") as f:
f.writelines(" ".join([str(s) for s in spectrum]))
