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#!/bin/bash
. ../MasterTest.sh
# Clean
CleanFiles mask.in mask.out mask.pdb.1 mask.mol2.1 M.dat Nselected.dat
TESTNAME='Mask command tests'
Requires netcdf maxthreads 10
INPUT="-i mask.in"
# Test 1
UNITNAME='Mask single frame test'
CheckFor maxthreads 1
if [ $? -eq 0 ] ; then
cat > mask.in <<EOF
noprogress
parm ../tz2.ortho.parm7
trajin ../tz2.ortho.nc 1 1
mask "(:5 <:3.0) & :WAT" maskout mask.out maskpdb mask.pdb trajargs 'chainid " "'
mask "(:5 <:3.0) & :WAT" maskmol2 mask.mol2
EOF
RunCpptraj "$UNITNAME"
DoTest mask.out.save mask.out
DoTest mask.pdb.1.save mask.pdb.1
DoTest mask.mol2.1.save mask.mol2.1
fi
cat > mask.in <<EOF
noprogress
parm ../tz2.ortho.parm7
trajin ../tz2.ortho.nc
mask "(:8@NZ <:3.0) & :WAT@O" name M out M.dat nselectedout Nselected.dat
EOF
RunCpptraj "Mask longer command test."
DoTest M.dat.save M.dat
DoTest Nselected.dat.save Nselected.dat
EndTest
exit 0
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