File: RunTest.sh

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-4
  • links: PTS, VCS
  • area: main
  • in suites: sid, trixie
  • size: 138,900 kB
  • sloc: cpp: 145,621; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (39 lines) | stat: -rwxr-xr-x 870 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
#!/bin/bash

. ../MasterTest.sh

CleanFiles wavelet.in wavelet.gnu cluster.gnu cluster.dat

TESTNAME='Wavelet analysis tests'
Requires netcdf

INPUT="-i wavelet.in"

cat > wavelet.in <<EOF
parm ../DPDP.parm7
trajin ../DPDP.nc
rms @C,CA,N first

wavelet nb 10 s0 2 ds 0.25 type morlet correction 1.01 chival 0.25 \
        :1-22 out wavelet.gnu usemap
EOF
RunCpptraj "Wavelet analysis test"
DoTest wavelet.gnu.save wavelet.gnu

cat > wavelet.in <<EOF
parm ../DPDP.parm7
trajin ../DPDP.nc
rms @C,CA,N first

wavelet nb 10 s0 2 ds 0.25 type morlet correction 1.01 chival 0.25 \
        :1-22 name DPDP \
        cluster clustermapout cluster.gnu clusterout cluster.dat \
          minpoints 66 epsilon 10.0
datafile cluster.gnu usemap palette kbvyw
EOF
RunCpptraj "Wavelet WAFEX test"
DoTest cluster.gnu.save cluster.gnu
DoTest cluster.dat.save cluster.dat

EndTest
exit 0