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run.sh
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run.sh
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#!/usr/bin/env bash
set -e
run() {
# $1 is directory and $2 is suffix
args=(--directory "$1" --snip-edges -0.3,10.1 --scale-sum --similarity-align 10 --remove-range 7.2,7.32 --snip-edges -0.2,10 --scale-sum --similarity-matrix)
if [[ $# == 3 ]]; then
args=(--format "$3" "${args[@]}")
fi
./comparator.py "${args[@]}"
mv out_matrix "results/out_matrix_$2.csv"
mv out_align "results/out_align_$2.csv"
}
run-1h() {
args=(--directory "$1" --snip-edges -0.2,11 --scale-sum --similarity-align 10 --similarity-matrix)
if [[ $# == 3 ]]; then
args=(--format "$3" "${args[@]}")
fi
./comparator.py "${args[@]}"
mv out_matrix "results/out_matrix_$2.csv"
mv out_align "results/out_align_$2.csv"
}
run-1h-no-align() {
args=(--directory "$1" --snip-edges -0.2,11 --scale-sum --similarity-align 0 --similarity-matrix)
if [[ $# == 3 ]]; then
args=(--format "$3" "${args[@]}")
fi
./comparator.py "${args[@]}"
mv out_matrix "results/out_matrix_$2.csv"
mv out_align "results/out_align_$2.csv"
}
run-1h-roll-avg() {
args=(--directory "$1" --snip-edges -0.2,11 --scale-sum --similarity-align 10 --rolling-average 151 --similarity-matrix)
if [[ $# == 3 ]]; then
args=(--format "$3" "${args[@]}")
fi
./comparator.py "${args[@]}"
mv out_matrix "results/out_matrix_$2.csv"
mv out_align "results/out_align_$2.csv"
}
run-13c() {
args=(--directory "$1" --snip-edges -5.1,210.1 --scale-sum --similarity-align 10 --remove-range 76.4,77.6 --snip-edges -5,210 --rolling-average 31 --scale-sum --similarity-matrix)
if [[ $# == 3 ]]; then
args=(--format "$3" "${args[@]}")
fi
./comparator.py "${args[@]}"
mv out_matrix "results/out_matrix_$2.csv"
mv out_align "results/out_align_$2.csv"
}
# run dados/Jan jan
# run dados/Gabriel gabriel
# run dados/Junio junio
# run dados/Lais lais
# run dados/Lais2 lais2
# run dados/Ronald ronald
# run dados/Seldon seldon
# run dados/JanACD janacd
# run dados/Ronald2 ronald2
# run dados/JanTopsp jantopsp TopSpin2
# run dados/JunioTopsp juniotopsp TopSpin2
# run dados/LaisTopsp laistopsp TopSpin2
# run dados/RonaldTopsp ronaldtopsp TopSpin2
# run dados/Gabriel2 gabriel2
# run dados/Ronald3 ronald3
# run dados/Seldon3 seldon3
# run dados/Seldon4Sp seldon4sp TSV
# run dados/LaisTopsp2 laistopsp2 TopSpin2
# run-1h dados/1H-NMR 1h-nmr
# run-1h-roll-avg dados/Vetiver vetiver
# run-1h-roll-avg dados/VetiverIS vetiver-is
# run-13c dados/13C-NMR 13c-nmr
# run-1h dados/David david
# run-1h teste1 teste1 ACD
# run-1h dados/1H-NMR 1h-nmr
run-1h-no-align dados/1H-NMR 1h-nmr-no-align