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/* nanoparticleBuilderCmd.h */ |
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/* File autogenerated by gengetopt version 2.15 */ |
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/* File autogenerated by gengetopt version 2.13.1 */ |
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#ifndef NANOPARTICLEBUILDERCMD_H |
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#define NANOPARTICLEBUILDERCMD_H |
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struct gengetopt_args_info |
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{ |
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char * output_arg; /* Output file name. */ |
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char * output_orig; /* Output file name original value given at command line. */ |
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double latticeCnst_arg; /* Lattice spacing in Angstroms for cubic lattice.. */ |
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char * latticeCnst_orig; /* Lattice spacing in Angstroms for cubic lattice. original value given at command line. */ |
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double latticeConstant_arg; /* Lattice spacing in Angstroms for cubic lattice.. */ |
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double radius_arg; /* Nanoparticle radius in Angstroms. */ |
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char * radius_orig; /* Nanoparticle radius in Angstroms original value given at command line. */ |
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double* ShellRadius_arg; /* Radius from the center of the particle to start a new shell in multi-component core-shell particle. Specified for each component > 1 in md file.. */ |
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char ** ShellRadius_orig; /* Radius from the center of the particle to start a new shell in multi-component core-shell particle. Specified for each component > 1 in md file. original value given at command line. */ |
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double* molFraction_arg; /* (Default) Builds a multi-component random mixed nanoparticle. Mole Fraction must be specified for each componet > 1 in MD file.. */ |
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char ** molFraction_orig; /* (Default) Builds a multi-component random mixed nanoparticle. Mole Fraction must be specified for each componet > 1 in MD file. original value given at command line. */ |
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double vacancyPCT_arg; /* Percentage of vacancies to build. */ |
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char * vacancyPCT_orig; /* Percentage of vacancies to build original value given at command line. */ |
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double* vacancyRadius_arg; /* Radius arround core-shell where vacancies should be located.. */ |
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char ** vacancyRadius_orig; /* Radius arround core-shell where vacancies should be located. original value given at command line. */ |
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double* shellRadius_arg; /* Radius containing within it only molecules of a specific component. Specified for each component > 1 in the template file.. */ |
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double* molFraction_arg; /* Builds a multi-component random alloy nanoparticle. A mole Fraction must be specified for each component > 1 in the template file.. */ |
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double vacancyPercent_arg; /* Percentage of atoms to remove from within vacancy range. */ |
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double vacancyInnerRadius_arg; /* Radius arround core-shell where vacancies should be located.. */ |
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double vacancyOuterRadius_arg; /* Radius arround core-shell where vacancies should be located.. */ |
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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 output_given ; /* Whether output was given. */ |
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int latticeCnst_given ; /* Whether latticeCnst was given. */ |
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int latticeConstant_given ; /* Whether latticeConstant was given. */ |
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int radius_given ; /* Whether radius was given. */ |
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unsigned int ShellRadius_given ; /* Whether ShellRadius was given. */ |
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unsigned int shellRadius_given ; /* Whether shellRadius was given. */ |
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unsigned int molFraction_given ; /* Whether molFraction was given. */ |
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int vacancyPCT_given ; /* Whether vacancyPCT was given. */ |
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unsigned int vacancyRadius_given ; /* Whether vacancyRadius was given. */ |
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int vacancyPercent_given ; /* Whether vacancyPercent was given. */ |
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int vacancyInnerRadius_given ; /* Whether vacancyInnerRadius was given. */ |
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int vacancyOuterRadius_given ; /* Whether vacancyOuterRadius was given. */ |
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char **inputs ; /* unamed options */ |
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unsigned inputs_num ; /* unamed options number */ |
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int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); |
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int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required); |
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int cmdline_parser_file_save(const char *filename, 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); |
