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# for parsing command line arguments useing getopt and getoptlong. |
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# gengetopt is available from: |
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# http://www.gnu.org/software/gengetopt/gengetopt.html |
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# invoke with: |
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# gengetopt < DynamicProps.ggo --file-name=DynamicPropsCmd --unamed-opts |
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package "DynamicProps" |
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version "1.00" |
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option "output" o "output file name" string typestr="filename" no |
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option "sele1" - "select first stuntdouble set" string typestr="selection script" no |
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option "sele2" - "select second stuntdouble set (if sele2 is not set, use script from sele1)" string typestr="selection script" no |
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option "order" - "Lengendre Polynomial Order" int no |
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option "nzbins" z "Number of Z bins" int default="100" no |
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option "memory" m "Available memory (defaults to 2G)" string typestr="memory specification" default="2G" no |
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defgroup "dynamicProps" groupdesc=" an option of this group is required" yes |
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groupoption "rcorr" r "rmsd" group="dynamicProps" |
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groupoption "selecorr" s "selection correlation function" group="dynamicProps" |
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groupoption "rcorr" r "rmsd" group="dynamicProps" |
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groupoption "vcorr" v "velocity correlation function" group="dynamicProps" |
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groupoption "dcorr" d "dipole correlation function" group="dynamicProps" |
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groupoption "lcorr" l "Lengendre correlation function" group="dynamicProps" |
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groupoption "lcorrZ" - "Lengendre correlation function binned by Z" group="dynamicProps" |
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groupoption "sdcorr" M "System dipole correlation function" group="dynamicProps" |
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groupoption "r_rcorr" - "Radial rmsd" group="dynamicProps" |
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groupoption "thetacorr" - "Angular rmsd" group="dynamicProps" |
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groupoption "drcorr" - "Directional rmsd for particles with unit vectors" group="dynamicProps" |
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groupoption "helfandEcorr" - "Helfand moment for thermal conductvity" group="dynamicProps" |
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groupoption "momentum" p "Helfand momentum for viscosity" group="dynamicProps" |
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groupoption "stresscorr" - "Stress tensor correlation function" group="dynamicProps" |
