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#!/bin/bash
. ../MasterTest.sh
CleanFiles dist.in dist.dat ortho.dat truncoct.dat
TESTNAME='Distance tests'
Requires netcdf
INPUT='-i dist.in'
cat > dist.in <<EOF
parm ../tz2.parm7
reference ../tz2.pdb
trajin ../tz2.nc
distance EndToEnd :1 :13 out dist.dat
distance ToRef @1 @1 out dist.dat reference
distance Point :1 point 0.0 0.0 0.0 out dist.dat
run
EOF
RunCpptraj "$TESTNAME"
DoTest dist.dat.save dist.dat
UNITNAME='Orthogonal imaged distance'
cat > dist.in <<EOF
parm ../tz2.ortho.parm7
trajin ../tz2.ortho.nc
distance EndToEnd :1 :13 out ortho.dat
EOF
RunCpptraj "$UNITNAME"
DoTest ortho.dat.save ortho.dat
UNITNAME='Non-orthogonal imaged distance'
cat > dist.in <<EOF
parm ../tz2.truncoct.parm7
trajin ../tz2.truncoct.nc
distance EndToEnd :1 :13 out truncoct.dat
EOF
RunCpptraj "$UNITNAME"
DoTest truncoct.dat.save truncoct.dat
EndTest
exit 0
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