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#!/bin/bash
. ../MasterTest.sh
CleanFiles cluster.in random.out random.info.dat random.summary.dat \
random.crd.c? random.cpop.agr random.rep.*.pdb CpptrajPairDist
TESTNAME='Cluster tests with random sieves'
Requires netcdf
PREFIX="random"
INPUT="-i cluster.in"
Ctest() {
cat > cluster.in <<EOF
parm ../tz2.parm7
trajin ../tz2.nc
random setdefault marsaglia
cluster crd1 @CA clusters 5 rms out $PREFIX.out includesieved_cdist \
sieve 5 random sieveseed 1 includesieveincalc \
summary $PREFIX.summary.dat info $PREFIX.info.dat bestrep cumulative \
clusterout $PREFIX.crd cpopvtime $PREFIX.cpop.agr \
repout $PREFIX.rep repfmt pdb savepairdist loadpairdist
EOF
RunCpptraj "Cluster test with random sieve ($1)."
DoTest random.info.dat.save random.info.dat
DoTest random.summary.dat.save random.summary.dat
}
Ctest "Save Pairwise Distances"
Ctest "Load Pairwise Distances"
EndTest
exit 0
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