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#!/bin/bash
. ../MasterTest.sh
CleanFiles cluster.in cnumvtime.dat avg.summary.dat summary.dat \
CpptrajPairDist clusterinfo.txt cluster.c? rep.*.crd \
single lifetime.dat Avg.c?.rst7 info.single fromInfo.c?
# Test 1
TESTNAME='Cluster trajectory write tests'
Requires netcdf
INPUT="-i cluster.in"
cat > cluster.in <<EOF
parm ../tz2.parm7
trajin ../tz2.nc
createcrd CRD1
run
runanalysis cluster crdset CRD1 C1 :2-10 clusters 3 epsilon 4.0 \
out cnumvtime.dat summary avg.summary.dat nofit \
clusterout cluster info clusterinfo.txt \
singlerepout single repout rep repframe lifetime \
avgout Avg avgfmt restart
write lifetime.dat C1[Lifetime]
EOF
RunCpptraj "Cluster command test, coordinate writes."
cat > cluster.in <<EOF
parm ../tz2.parm7
trajin ../tz2.nc
createcrd CRD1
run
runanalysis cluster crdset CRD1 readinfo infofile clusterinfo.txt \
clusterout fromInfo
EOF
RunCpptraj "Cluster command test, coordinate writes using info file."
DoTest clusterinfo.txt.save clusterinfo.txt
DoTest cluster.c0.save cluster.c0
DoTest rep.1.crd.save rep.c8.1.crd
DoTest single.save single
DoTest avg.summary.dat.save avg.summary.dat
DoTest lifetime.dat.save lifetime.dat
DoTest Avg.c0.rst7.save Avg.c0.rst7
DoTest cluster.c0.save fromInfo.c0
EndTest
exit 0
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