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/* staticPropsCmd.h */ |
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/* StaticPropsCmd.h */ |
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/* File autogenerated by gengetopt version 2.11 */ |
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#endif /* __cplusplus */ |
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#ifndef CMDLINE_PARSER_PACKAGE |
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#define CMDLINE_PARSER_PACKAGE "staticProps" |
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#define CMDLINE_PARSER_PACKAGE "StaticProps" |
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#endif |
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#ifndef CMDLINE_PARSER_VERSION |
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{ |
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char * input_arg; /* input dump file. */ |
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char * output_arg; /* output file name. */ |
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int frame_arg; /* print every n frame (default='1'). */ |
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int ndistebins_arg; /* number of bins for distance (default='50'). */ |
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int step_arg; /* process every n frame (default='1'). */ |
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int nrbins_arg; /* number of bins for distance (default='100'). */ |
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int nanglebins_arg; /* number of bins for cos(angle) (default='50'). */ |
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double length_arg; /* maximum length. */ |
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char * sele1_arg; /* select first stuntdouble set. */ |
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char * sele2_arg; /* select second stuntdouble set. */ |
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double length_arg; /* maximum length (Defaults to 1/2 smallest length of first frame). */ |
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char * sele1_arg; /* select the first stuntdouble set. */ |
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char * sele2_arg; /* select the second stuntdouble set. */ |
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char * sele3_arg; /* select the third stuntdouble set. */ |
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char * refsele_arg; /* select reference (use and only use with --gxyz). */ |
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char * molname_arg; /* molecule name. */ |
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int begin_arg; /* begin interanl index. */ |
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int end_arg; /* end internal index. */ |
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int help_given ; /* Whether help was given. */ |
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int version_given ; /* Whether version was given. */ |
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int input_given ; /* Whether input was given. */ |
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int output_given ; /* Whether output was given. */ |
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int frame_given ; /* Whether frame was given. */ |
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int ndistebins_given ; /* Whether ndistebins was given. */ |
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int step_given ; /* Whether step was given. */ |
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int nrbins_given ; /* Whether nrbins was given. */ |
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int nanglebins_given ; /* Whether nanglebins was given. */ |
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int length_given ; /* Whether length was given. */ |
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int sele1_given ; /* Whether sele1 was given. */ |
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int sele2_given ; /* Whether sele2 was given. */ |
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int sele3_given ; /* Whether sele3 was given. */ |
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int refsele_given ; /* Whether refsele was given. */ |
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int molname_given ; /* Whether molname was given. */ |
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int begin_given ; /* Whether begin was given. */ |
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int end_given ; /* Whether end was given. */ |
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int gofr_given ; /* Whether gofr was given. */ |
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int r_theta_given ; /* Whether r_theta was given. */ |
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int r_omega_given ; /* Whether r_omega was given. */ |
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int theta_omega_given ; /* Whether theta_omega was given. */ |
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int xyz_given ; /* Whether xyz was given. */ |
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int gxyz_given ; /* Whether gxyz was given. */ |
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int p2_given ; /* Whether p2 was given. */ |
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int scd_given ; /* Whether scd was given. */ |
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int density_given ; /* Whether density was given. */ |
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} ; |
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