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specify python version
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clami66 committed Aug 9, 2024
1 parent 067d120 commit 2d6cc18
Showing 1 changed file with 8 additions and 4 deletions.
12 changes: 8 additions & 4 deletions run_test.sh
Original file line number Diff line number Diff line change
Expand Up @@ -3,10 +3,12 @@ set -euo pipefail

rm -f test .coverage

PYTHON=${1:-"python"}

if command -v coverage &> /dev/null; then
binary="coverage run --parallel-mode -m DockQ.DockQ "
else
binary="DockQ"
binary="$PYTHON -m DockQ.DockQ"
fi

$binary examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb > test
Expand Down Expand Up @@ -49,9 +51,11 @@ diff <(grep -v "*" test) <(grep -v "*" testdata/6q2n_peptide.dockq)
$binary examples/1HHO_hem.cif examples/2HHB_hem.cif --small_molecule --mapping :ABEFG > test

# Test that cython version behaves the same as nocython
python src/DockQ/DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb > test
$PYTHON src/DockQ/DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb > test
diff <(grep -v "*" test) <(grep -v "*" testdata/1A2K.dockq)
python src/DockQ/DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb --no_align > test
$PYTHON src/DockQ/DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb --no_align > test
diff <(grep -v "*" test) <(grep -v "*" testdata/1A2K.dockq)

coverage combine
if command -v coverage &> /dev/null; then
coverage combine
fi

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