int main()
{
char filename[] = "dsgdb7ae2.xyz";
int molecules_no = 7102;
int train_no = 70;
int validate_no = 30;
Dataset *dset = setup(filename,molecules_no,train_no,validate_no);
Params params;
params.lamdba = pow(10,-3);
params.zeta = 1;
double diag[] = {1,1,1,1,1}; //H,C,N,O,S
params.diag = diag;
Stats s = run(dset,params);
std::cout << "MAE: " << s.mae << std::endl;
free_dataset(dset);
return 0;
}
int main (int argc, char *argv[])
{
char * dname;
struct arcfilt filt;
struct dataset ds;
int r;
if (argc < 2)
{
printf ("readarc takes at least one argument.");
return -1;
}
dname = argv[1];
if (dname == 0)
{
printf ("could not get file name.\n");
return 1;
}
if (argc < 4)
filt.use_utc = 0;
else
{
r = txt2utc (argv[2], filt.t1);
if (r != 0)
{
printf ("could not parse UTC time 1!");
return -1;
}
r = txt2utc (argv[3], filt.t2);
if (r != 0)
{
printf ("could not parse UTC time 2!");
return -1;
}
DEBUG ("Selecting on time range (%lu,%lu) - (%lu,%lu)\n",
filt.t1[0], filt.t1[1], filt.t2[0], filt.t2[1]);
filt.use_utc = 1;
}
if (argc < 5)
{
filt.nl.n = 0;
filt.nl.s = 0;
}
else
{
int nn, in;
char ** nlist;
nn = argc - 4;
nlist = malloc (nn * sizeof (char *));
for (in=0; in<nn; in++)
nlist[in] = argv[in+4];
create_namelist (nn, nlist, &(filt.nl));
free (nlist);
}
filt.fname = dname;
DEBUG ("Number of register name specifications = %d.\n", filt.nl.n);
DEBUG ("Calling readarc.\n");
r = readarc (&filt, &ds);
DEBUG ("Returned %d.\n", r);
free_namelist (&(filt.nl));
if (r != 0)
return r;
DEBUG ("Dumping timestreams.\n");
r = output_txt (&ds);
free_dataset (&ds);
return 0;
}
int main (int argc, char* argv[])
{
int next_option;
struct arcfilt filt;
struct dataset ds;
int r;
int verbose = 0;
char ** nlist;
int nn;
int format, do_tar, do_gzip;
/* A string listing valid short options letters. */
const char* const short_options = "ho:r:s:e:f:tzv";
/* An array describing valid long options. */
const struct option long_options[] = {
{ "help", 0, NULL, 'h' },
{ "output", 1, NULL, 'o' },
{ "register", 1, NULL, 'r' },
{ "start", 1, NULL, 's' },
{ "end", 1, NULL, 'e' },
{ "format", 1, NULL, 'f' },
{ "tar", 0, NULL, 't' },
{ "gzip", 0, NULL, 'z' },
{ "verbose", 0, NULL, 'v' },
{ NULL, 0, NULL, 0 } /* Required at end of array. */
};
/* The name of the file to receive program output, or NULL for
standard output. */
const char* output_filename = NULL;
/* Remember the name of the program, to incorporate in messages.
The name is stored in argv[0]. */
program_name = argv[0];
filt.use_utc = 0;
filt.t1[0] = 0;
filt.t1[1] = 0;
filt.t2[0] = 0 - 1; /* Max uint32_t */
filt.t2[1] = 0;
if (argc > 0)
nlist = malloc (argc * sizeof (char *));
else
nlist = NULL;
nn = 0;
format = OUTFORMAT_DIRFILE;
do_tar = 1;
do_gzip = 1;
do {
next_option = getopt_long (argc, argv, short_options,
long_options, NULL);
switch (next_option)
{
case 'h': /* -h or --help */
/* User has requested usage information. Print it to standard
output, and exit with exit code zero (normal termination). */
print_usage (stdout, 0);
case 'o': /* -o or --output */
/* This option takes an argument, the name of the output file. */
output_filename = optarg;
break;
case 's': /* -s or --start */
/* This option takes an argument, the starting UTC time. */
r = txt2utc (optarg, filt.t1);
filt.use_utc = 1;
if (r != 0)
{
printf ("could not parse UTC starting time!");
return -1;
}
break;
case 'e': /* -e or --end */
/* This option takes an argument, the ending UTC time. */
r = txt2utc (optarg, filt.t2);
filt.use_utc = 1;
if (r != 0)
{
printf ("could not parse UTC ending time!");
return -1;
}
break;
case 'r': /* -r or --register */
/* This option takes an argument, the register specification. */
/* It can be used multiple times. */
nlist[nn] = optarg;
nn++;
break;
case 't': /* -t or --tar */
do_tar = 1;
break;
case 'z': /* -z or --gzip */
do_gzip = 1;
break;
case 'f': /* -f or --format */
if (!strcasecmp (optarg, "dir") || !strcasecmp (optarg, "dirfile"))
format = OUTFORMAT_DIRFILE;
else if (!strcasecmp (optarg, "txt") || !strcasecmp (optarg, "text"))
format = OUTFORMAT_TXT;
else if (!strcasecmp (optarg, "hex") || !strcasecmp (optarg, "dump"))
format = OUTFORMAT_HEX;
else
{
printf ("Unrecognized format type %s.\n", optarg);
return -1;
}
break;
case 'v': /* -v or --verbose */
verbose = 1;
break;
case '?': /* The user specified an invalid option. */
/* Print usage information to standard error, and exit with exit
code one (indicating abnormal termination). */
print_usage (stderr, 1);
case -1: /* Done with options. */
break;
default: /* Something else: unexpected. */
abort ();
}
}
while (next_option != -1);
/* Done with options. OPTIND points to first non-option argument. */
if (nn>0)
create_namelist (nn, nlist, &(filt.nl));
else
{
filt.nl.n = 0;
filt.nl.s = 0;
}
if (argc > 0)
free (nlist);
for (int i = optind; i < argc; ++i)
{
char * use_output_fname;
filt.fname = argv[i];
DEBUG ("Number of register name specifications = %d.\n", filt.nl.n);
DEBUG ("Calling readarc.\n");
r = readarc (&filt, &ds);
if (r != 0)
{
free_namelist (&(filt.nl));
return r;
}
DEBUG ("Returned %d.\n", r);
use_output_fname = output_filename;
if (use_output_fname == NULL)
guess_output_filename (filt.fname, &use_output_fname, format, do_tar, do_gzip);
switch (format)
{
case OUTFORMAT_TXT:
r = output_txt (&ds);
break;
case OUTFORMAT_HEX:
r = output_hex (&ds);
break;
case OUTFORMAT_DIRFILE:
if (!do_tar)
r = output_dirball (use_output_fname, &ds, 0);
else if (!do_gzip)
r = output_dirball (use_output_fname, &ds, 1);
else
r = output_dirball (use_output_fname, &ds, 2);
break;
default:
printf ("Unknown output type code %d.\n", format);
}
if ((use_output_fname != NULL) && (use_output_fname != output_filename))
free (use_output_fname);
free_dataset (&ds);
}
free_namelist (&(filt.nl));
return 0;
}
