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/* |
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File autogenerated by gengetopt version 2.12.1 |
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generated with the following command: |
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gengetopt --file-name=shaperCmd --unamed-opts=PDBFILE |
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|
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The developers of gengetopt consider the fixed text that goes in all |
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gengetopt output files to be in the public domain: |
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we make no copyright claims on it. |
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*/ |
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|
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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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|
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#include <stdio.h> |
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#include <stdlib.h> |
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#include <string.h> |
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|
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#include "getopt.h" |
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|
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#include "shaperCmd.h" |
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|
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static |
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void clear_given (struct gengetopt_args_info *args_info); |
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static |
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void clear_args (struct gengetopt_args_info *args_info); |
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|
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static int |
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cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error); |
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|
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static char * |
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gengetopt_strdup (const char *s); |
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|
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static |
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void clear_given (struct gengetopt_args_info *args_info) |
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{ |
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args_info->help_given = 0 ; |
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args_info->version_given = 0 ; |
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args_info->bandwidth_given = 0 ; |
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args_info->tolerance_given = 0 ; |
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args_info->charmm_given = 0 ; |
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args_info->amber_given = 0 ; |
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args_info->lj_given = 0 ; |
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args_info->gaff_given = 0 ; |
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args_info->opls_given = 0 ; |
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args_info->ForceField_group_counter = 0 ; |
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} |
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|
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static |
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void clear_args (struct gengetopt_args_info *args_info) |
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{ |
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args_info->bandwidth_arg = 8 ; |
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args_info->tolerance_arg = 0.01 ; |
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} |
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|
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void |
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cmdline_parser_print_version (void) |
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{ |
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printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION); |
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} |
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|
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void |
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cmdline_parser_print_help (void) |
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{ |
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cmdline_parser_print_version (); |
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printf("\n" |
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"Usage: %s [OPTIONS]... [PDBFILE]...\n", CMDLINE_PARSER_PACKAGE); |
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printf("\n"); |
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printf("%s\n"," -h, --help Print help and exit"); |
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printf("%s\n"," -V, --version Print version and exit"); |
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printf("%s\n"," -b, --bandwidth=INT The step detail for the potential grids - typically \n a power of 2 (default=`8')"); |
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printf("%s\n"," -t, --tolerance=DOUBLE The tolerance for recognition of spherical harmonic \n terms (default=`0.01')"); |
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printf("\n"); |
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printf(" Group: ForceField A Force Field must be specified\n"); |
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printf("%s\n"," -c, --charmm Use CHARMM 27 parameters"); |
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printf("%s\n"," -a, --amber Use Amber99 parameters"); |
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printf("%s\n"," -l, --lj Use Lennard-Jones parameters"); |
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printf("%s\n"," -g, --gaff Use GAFF parameters"); |
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printf("%s\n"," -o, --opls Use OPLS/AA parameters"); |
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} |
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|
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void |
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cmdline_parser_init (struct gengetopt_args_info *args_info) |
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{ |
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clear_given (args_info); |
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clear_args (args_info); |
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|
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args_info->inputs = NULL; |
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args_info->inputs_num = 0; |
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} |
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|
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void |
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cmdline_parser_free (struct gengetopt_args_info *args_info) |
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{ |
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|
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int i; |
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|
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for (i = 0; i < args_info->inputs_num; ++i) |
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free (args_info->inputs [i]); |
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|
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if (args_info->inputs_num) |
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free (args_info->inputs); |
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|
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clear_given (args_info); |
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} |
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|
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|
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/* gengetopt_strdup() */ |
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/* strdup.c replacement of strdup, which is not standard */ |
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char * |
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gengetopt_strdup (const char *s) |
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{ |
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char *result = NULL; |
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if (!s) |
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return result; |
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|
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result = (char*)malloc(strlen(s) + 1); |
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if (result == (char*)0) |
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return (char*)0; |
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strcpy(result, s); |
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return result; |
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} |
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|
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static void |
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reset_group_ForceField(struct gengetopt_args_info *args_info); |
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|
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static void |
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reset_group_ForceField(struct gengetopt_args_info *args_info) |
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{ |
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if (! args_info->ForceField_group_counter) |
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return; |
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|
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args_info->charmm_given = 0 ; |
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args_info->amber_given = 0 ; |
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args_info->lj_given = 0 ; |
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args_info->gaff_given = 0 ; |
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args_info->opls_given = 0 ; |
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|
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args_info->ForceField_group_counter = 0; |
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} |
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|
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int |
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cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
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{ |
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return cmdline_parser2 (argc, argv, args_info, 0, 1, 1); |
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} |
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|
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int |
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cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
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{ |
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int result; |
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|
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result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL); |
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|
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if (result == EXIT_FAILURE) |
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{ |
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cmdline_parser_free (args_info); |
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exit (EXIT_FAILURE); |
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} |
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|
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return result; |
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} |
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|
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int |
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cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error) |
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{ |
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int c; /* Character of the parsed option. */ |
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int error = 0; |
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struct gengetopt_args_info local_args_info; |
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|
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if (initialize) |
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cmdline_parser_init (args_info); |
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|
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cmdline_parser_init (&local_args_info); |
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|
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optarg = 0; |
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optind = 1; |
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opterr = 1; |
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optopt = '?'; |
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|
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while (1) |
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{ |
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int option_index = 0; |
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char *stop_char; |
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|
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static struct option long_options[] = { |
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{ "help", 0, NULL, 'h' }, |
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{ "version", 0, NULL, 'V' }, |
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{ "bandwidth", 1, NULL, 'b' }, |
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{ "tolerance", 1, NULL, 't' }, |
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{ "charmm", 0, NULL, 'c' }, |
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{ "amber", 0, NULL, 'a' }, |
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{ "lj", 0, NULL, 'l' }, |
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{ "gaff", 0, NULL, 'g' }, |
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{ "opls", 0, NULL, 'o' }, |
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{ NULL, 0, NULL, 0 } |
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}; |
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|
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stop_char = 0; |
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c = getopt_long (argc, argv, "hVb:t:calgo", long_options, &option_index); |
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|
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if (c == -1) break; /* Exit from `while (1)' loop. */ |
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|
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switch (c) |
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{ |
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case 'h': /* Print help and exit. */ |
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cmdline_parser_print_help (); |
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exit (EXIT_SUCCESS); |
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|
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case 'V': /* Print version and exit. */ |
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cmdline_parser_print_version (); |
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exit (EXIT_SUCCESS); |
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|
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case 'b': /* The step detail for the potential grids - typically a power of 2. */ |
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if (local_args_info.bandwidth_given) |
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{ |
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fprintf (stderr, "%s: `--bandwidth' (`-b') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : "")); |
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goto failure; |
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} |
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if (args_info->bandwidth_given && ! override) |
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continue; |
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local_args_info.bandwidth_given = 1; |
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args_info->bandwidth_given = 1; |
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args_info->bandwidth_arg = strtol (optarg,&stop_char,0); |
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break; |
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|
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case 't': /* The tolerance for recognition of spherical harmonic terms. */ |
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if (local_args_info.tolerance_given) |
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{ |
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fprintf (stderr, "%s: `--tolerance' (`-t') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : "")); |
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goto failure; |
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} |
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if (args_info->tolerance_given && ! override) |
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continue; |
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local_args_info.tolerance_given = 1; |
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args_info->tolerance_given = 1; |
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args_info->tolerance_arg = strtod (optarg, NULL); |
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break; |
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|
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case 'c': /* Use CHARMM 27 parameters. */ |
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if (local_args_info.charmm_given) |
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{ |
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fprintf (stderr, "%s: `--charmm' (`-c') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : "")); |
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goto failure; |
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} |
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if (args_info->charmm_given && ! override) |
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continue; |
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local_args_info.charmm_given = 1; |
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args_info->charmm_given = 1; |
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if (args_info->ForceField_group_counter && override) |
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reset_group_ForceField (args_info); |
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args_info->ForceField_group_counter += 1; |
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break; |
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|
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case 'a': /* Use Amber99 parameters. */ |
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if (local_args_info.amber_given) |
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{ |
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fprintf (stderr, "%s: `--amber' (`-a') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : "")); |
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goto failure; |
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} |
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if (args_info->amber_given && ! override) |
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continue; |
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local_args_info.amber_given = 1; |
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args_info->amber_given = 1; |
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if (args_info->ForceField_group_counter && override) |
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reset_group_ForceField (args_info); |
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args_info->ForceField_group_counter += 1; |
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break; |
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|
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case 'l': /* Use Lennard-Jones parameters. */ |
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if (local_args_info.lj_given) |
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{ |
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fprintf (stderr, "%s: `--lj' (`-l') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : "")); |
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goto failure; |
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} |
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if (args_info->lj_given && ! override) |
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continue; |
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local_args_info.lj_given = 1; |
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args_info->lj_given = 1; |
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if (args_info->ForceField_group_counter && override) |
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reset_group_ForceField (args_info); |
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args_info->ForceField_group_counter += 1; |
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break; |
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|
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case 'g': /* Use GAFF parameters. */ |
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if (local_args_info.gaff_given) |
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{ |
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fprintf (stderr, "%s: `--gaff' (`-g') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : "")); |
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goto failure; |
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} |
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if (args_info->gaff_given && ! override) |
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continue; |
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local_args_info.gaff_given = 1; |
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args_info->gaff_given = 1; |
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if (args_info->ForceField_group_counter && override) |
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reset_group_ForceField (args_info); |
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args_info->ForceField_group_counter += 1; |
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break; |
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|
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case 'o': /* Use OPLS/AA parameters. */ |
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if (local_args_info.opls_given) |
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{ |
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fprintf (stderr, "%s: `--opls' (`-o') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : "")); |
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goto failure; |
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} |
| 307 |
if (args_info->opls_given && ! override) |
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continue; |
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local_args_info.opls_given = 1; |
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args_info->opls_given = 1; |
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if (args_info->ForceField_group_counter && override) |
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reset_group_ForceField (args_info); |
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args_info->ForceField_group_counter += 1; |
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break; |
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|
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|
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case 0: /* Long option with no short option */ |
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|
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case '?': /* Invalid option. */ |
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/* `getopt_long' already printed an error message. */ |
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goto failure; |
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|
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default: /* bug: option not considered. */ |
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fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : "")); |
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abort (); |
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} /* switch */ |
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} /* while */ |
| 328 |
|
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if ( args_info->ForceField_group_counter != 1) |
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{ |
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fprintf (stderr, "%s: %d options of group ForceField were given. One is required.%s\n", CMDLINE_PARSER_PACKAGE, args_info->ForceField_group_counter, (additional_error ? additional_error : "")); |
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error = 1; |
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} |
| 334 |
|
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|
| 336 |
|
| 337 |
if (check_required) |
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{ |
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} |
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|
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if ( error ) |
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return (EXIT_FAILURE); |
| 343 |
|
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if (optind < argc) |
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{ |
| 346 |
int i = 0 ; |
| 347 |
|
| 348 |
args_info->inputs_num = argc - optind ; |
| 349 |
args_info->inputs = |
| 350 |
(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; |
| 351 |
while (optind < argc) |
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args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind++]) ; |
| 353 |
} |
| 354 |
|
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return 0; |
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|
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failure: |
| 358 |
cmdline_parser_free (&local_args_info); |
| 359 |
return (EXIT_FAILURE); |
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} |
