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Add test
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drroe committed Jul 12, 2024
1 parent 9f6f47b commit 6f6f3b2
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25 changes: 25 additions & 0 deletions test/Test_AddAtom/RunTest.sh
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#!/bin/bash

. ../MasterTest.sh

CleanFiles addatom.in tz2.addatom.pdb tz2.mask.dat

TESTNAME='Add atom tests'

INPUT='-i addatom.in'

Requires maxthreads 1

cat > addatom.in <<EOF
parm ../tz2.pdb
trajin ../tz2.pdb 1 1
addatom aname TEMP rname TMP elt H xyz 1 1 1
mask :TMP<@3.0&!:TMP out tz2.mask.dat name TZ2
trajout tz2.addatom.pdb
run
EOF
RunCpptraj "Add atom test"
DoTest tz2.addatom.pdb.save tz2.addatom.pdb
DoTest tz2.mask.dat.save tz2.mask.dat

EndTest

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