Gromacs
2024.4
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#include "gromacs/commandline/filenm.h"
#include "gromacs/fileio/oenv.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/real.h"
Declares t_pargs
, parse_common_args() and related methods.
Classes | |
struct | t_pargs |
Command-line argument definition for C code. More... | |
Macros | |
#define | PCA_CAN_VIEW (1 << 5) |
Add option -w to view output files (must be implemented in program). More... | |
#define | PCA_CAN_BEGIN (1 << 6) |
Add option to set begin time for trajectory reading. More... | |
#define | PCA_CAN_END (1 << 7) |
Add option to set end time for trajectory reading. More... | |
#define | PCA_CAN_DT (1 << 14) |
Add option to set time step for trajectory reading. More... | |
#define | PCA_CAN_TIME (PCA_CAN_BEGIN | PCA_CAN_END | PCA_CAN_DT) |
Add all options for trajectory time control. More... | |
#define | PCA_TIME_UNIT (1 << 15) |
Add option -tu to set time unit for output. More... | |
#define | PCA_CAN_SET_DEFFNM (1 << 10) |
Add option -deffnm to set default for all file options. More... | |
#define | PCA_NOEXIT_ON_ARGS (1 << 11) |
Do not raise a fatal error when invalid options are encountered. More... | |
#define | PCA_DISABLE_INPUT_FILE_CHECKING (1 << 17) |
Don't do any special processing for ffREAD files. | |
Enumerations | |
enum | { etINT, etINT64, etREAL, etTIME, etSTR, etBOOL, etRVEC, etENUM, etNR } |
Command line argument type. More... | |
Functions | |
int | nenum (const char *const enumc[]) |
Returns ordinal number for an etENUM argument. More... | |
int | opt2parg_int (const char *option, int nparg, t_pargs pa[]) |
Returns value of an etINT option. More... | |
bool | opt2parg_bool (const char *option, int nparg, t_pargs pa[]) |
Returns value of an etBOOL option. More... | |
real | opt2parg_real (const char *option, int nparg, t_pargs pa[]) |
Returns value of an etREAL/etTIME option. More... | |
const char * | opt2parg_str (const char *option, int nparg, t_pargs pa[]) |
Returns value of an etSTR option. More... | |
const char * | opt2parg_enum (const char *option, int nparg, t_pargs pa[]) |
Returns value of an etENUM option. More... | |
bool | opt2parg_bSet (const char *option, int nparg, const t_pargs *pa) |
Returns whether an argument has been set. More... | |
bool | parse_common_args (int *argc, char *argv[], unsigned long Flags, int nfile, t_filenm fnm[], int npargs, t_pargs *pa, int ndesc, const char **desc, int nbugs, const char **bugs, gmx_output_env_t **oenv) |
Parse command-line arguments. More... | |