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/* Dump2XYZCmd.h */ |
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/* File autogenerated by gengetopt version 2.11 */ |
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#ifndef DUMP2XYZCMD_H |
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#define DUMP2XYZCMD_H |
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/* If we use autoconf. */ |
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#ifdef HAVE_CONFIG_H |
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#include "config.h" |
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#endif |
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#ifdef __cplusplus |
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extern "C" { |
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#endif /* __cplusplus */ |
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#ifndef CMDLINE_PARSER_PACKAGE |
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#define CMDLINE_PARSER_PACKAGE "Dump2XYZ" |
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#endif |
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#ifndef CMDLINE_PARSER_VERSION |
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#define CMDLINE_PARSER_VERSION "0.99" |
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#endif |
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struct gengetopt_args_info |
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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 dipole_flag; /* print the dipole moments (default=off). */ |
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int water_flag; /* skip the the waters (default=off). */ |
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int periodicBox_flag; /* map to the periodic box (default=off). */ |
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int zconstraint_flag; /* replace the atom types of zconstraint molecules (default=off). */ |
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int rigidbody_flag; /* add a pseudo COM atom to rigidbody (default=off). */ |
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int watertype_flag; /* replace the atom type of water model (default=on). */ |
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char ** ignore_arg; /* ignore the atom types. */ |
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char * selection_arg; /* general selection syntax:\n |
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select DMPC -- select DMPC molecule\n \ |
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select DMPC.* -- select all atoms and all rigidbodies belong to DMPC molecule\n \ |
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select 5 -- select stuntdobule whose global index is 5\n \ |
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select within (5.0, HDP or PO4) -- select stuntdoubles which is within 5 A to HDP or PO4\n \ |
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select DMPC.DMPC_RB_*.* --select atoms belong to rigid body inside DMPC molecule . */ |
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int repeatX_arg; /* The number of images to repeat in the x direction (default='0'). */ |
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int repeatY_arg; /* The number of images to repeat in the y direction (default='0'). */ |
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int repeatZ_arg; /* The number of images to repeat in the z direction (default='0'). */ |
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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 dipole_given ; /* Whether dipole was given. */ |
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int water_given ; /* Whether water was given. */ |
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int periodicBox_given ; /* Whether periodicBox was given. */ |
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int zconstraint_given ; /* Whether zconstraint was given. */ |
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int rigidbody_given ; /* Whether rigidbody was given. */ |
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int watertype_given ; /* Whether watertype was given. */ |
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int ignore_given ; /* Whether ignore was given. */ |
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int selection_given ; /* Whether selection was given. */ |
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int repeatX_given ; /* Whether repeatX was given. */ |
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int repeatY_given ; /* Whether repeatY was given. */ |
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int repeatZ_given ; /* Whether repeatZ was given. */ |
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} ; |
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int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); |
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void cmdline_parser_print_help(void); |
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void cmdline_parser_print_version(void); |
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#ifdef __cplusplus |
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} |
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#endif /* __cplusplus */ |
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#endif /* DUMP2XYZCMD_H */ |
