void PDB::readXYZ(const char* filename){
printf("Reading %s.\n", filename);
char buffer[BUF_SIZE];
FILE* file = safe_fopen(filename, "r");
safe_fgets(buffer, BUF_SIZE, file);
const int n = atoi(buffer);
atoms.resize(n);
safe_fgets(buffer, BUF_SIZE, file); // Skip mandatory comment line
int i;
char* pch;
for(i = 0; i < n; i++){
safe_fgets(buffer, BUF_SIZE, file);
pch = strtok(buffer, " \t\r\n");
strncpy(atoms[i].name,pch,4);
pch = strtok(NULL, " \t\r\n");
atoms[i].x = atof(pch);
pch = strtok(NULL, " \t\r\n");
atoms[i].y = atof(pch);
pch = strtok(NULL, " \t\r\n");
atoms[i].z = atof(pch);
atoms[i].id = atoms[i].resid = i+1;
atoms[i].chain = 'X';
strcpy(atoms[i].resName, "XXX");
atoms[i].altLoc = 0;
atoms[i].occupancy = atoms[i].beta = 0.0;
}
printf("Done reading '%s'.\n", filename);
fclose(file);
}
static void NOINLINE retrieve_file_data(FILE *dfp, int output_fd)
{
char buf[512];
if (!(option_mask32 & WGET_OPT_QUIET))
progress_meter(-1);
if (G.chunked)
goto get_clen;
/* Loops only if chunked */
while (1) {
while (1) {
int n;
unsigned rdsz;
rdsz = sizeof(buf);
if (G.got_clen) {
if (G.content_len < (off_t)sizeof(buf)) {
if ((int)G.content_len <= 0)
break;
rdsz = (unsigned)G.content_len;
}
}
n = safe_fread(buf, rdsz, dfp);
if (n <= 0) {
if (ferror(dfp)) {
/* perror will not work: ferror doesn't set errno */
bb_error_msg_and_die(bb_msg_read_error);
}
break;
}
xwrite(output_fd, buf, n);
#if ENABLE_FEATURE_WGET_STATUSBAR
G.transferred += n;
#endif
if (G.got_clen)
G.content_len -= n;
}
if (!G.chunked)
break;
safe_fgets(buf, sizeof(buf), dfp); /* This is a newline */
get_clen:
safe_fgets(buf, sizeof(buf), dfp);
G.content_len = STRTOOFF(buf, NULL, 16);
/* FIXME: error check? */
if (G.content_len == 0)
break; /* all done! */
G.got_clen = 1;
}
if (!(option_mask32 & WGET_OPT_QUIET))
progress_meter(0);
}
void readCoord(const char* filename, SOP& sop){
//printf("Reading coordinates from '%s'.\n", filename);
int is_xyz = 0;
char buffer[BUF_SIZE+1];
FILE* file = safe_fopen(filename, "r");
if(file == NULL){
DIE("ERROR: Coordinates file %s can not be found.\n", filename);
}
if (!strcmp(filename + strlen(filename)-4, ".xyz")) {
is_xyz = 1;
safe_fgets(buffer, BUF_SIZE, file);
safe_fgets(buffer, BUF_SIZE, file);
}
int index = 0;
while(fgets(buffer, BUF_SIZE, file) != NULL){
if(is_xyz){
char *pch = strtok(buffer, " \t\r\n");
pch = strtok(NULL, " \t\r\n");
sop.aminos[index].x = atof(pch);
pch = strtok(NULL, " \t\r\n");
sop.aminos[index].y = atof(pch);
pch = strtok(NULL, " \t\r\n");
sop.aminos[index].z = atof(pch);
index++;
}
if(!is_xyz && strncmp(buffer, "ATOM", 4) == 0){
PDBAtom tmp;
tmp.parse(buffer);
sop.aminos[index].x = tmp.x;
sop.aminos[index].y = tmp.y;
sop.aminos[index].z = tmp.z;
#ifdef DEBUG
printf("%d: %f, %f, %f\n", index, sop.aminos[index].x, sop.aminos[index].y, sop.aminos[index].z);
#endif
index++;
}
}
fclose(file);
if(index == 0){
DIE("Can't read pdb file.\n");
}
if(index != sop.aminos.size()){
DIE("Read coordinates for %d beads, yet topology has %zu beads.\n", index, sop.aminos.size());
}
//printf("Done reading coordinates.\n");
}
/* A cheap grep for text files, returns 1 if a substring
* was found in the text file fn, 0 if it wasn't
*/
static int grep(const char *fn, const char *needle)
{
FILE *fp;
if((fp = fopen(fn, "r")) == NULL) {
return 0;
}
while(!feof(fp)) {
char line[1024];
if(safe_fgets(line, sizeof(line), fp) == NULL) {
continue;
}
/* TODO: this will not work if the search string
* ends up being split across line reads */
if(strstr(line, needle)) {
fclose(fp);
return 1;
}
}
fclose(fp);
return 0;
}
static int local_db_read(alpm_pkg_t *info, alpm_dbinfrq_t inforeq)
{
FILE *fp = NULL;
char line[1024];
alpm_db_t *db = info->origin_data.db;
/* bitmask logic here:
* infolevel: 00001111
* inforeq: 00010100
* & result: 00000100
* == to inforeq? nope, we need to load more info. */
if((info->infolevel & inforeq) == inforeq) {
/* already loaded all of this info, do nothing */
return 0;
}
if(info->infolevel & INFRQ_ERROR) {
/* We've encountered an error loading this package before. Don't attempt
* repeated reloads, just give up. */
return -1;
}
_alpm_log(db->handle, ALPM_LOG_FUNCTION,
"loading package data for %s : level=0x%x\n",
info->name, inforeq);
/* clear out 'line', to be certain - and to make valgrind happy */
memset(line, 0, sizeof(line));
/* DESC */
if(inforeq & INFRQ_DESC && !(info->infolevel & INFRQ_DESC)) {
char *path = _alpm_local_db_pkgpath(db, info, "desc");
if(!path || (fp = fopen(path, "r")) == NULL) {
_alpm_log(db->handle, ALPM_LOG_ERROR, _("could not open file %s: %s\n"), path, strerror(errno));
free(path);
goto error;
}
free(path);
while(!feof(fp)) {
if(safe_fgets(line, sizeof(line), fp) == NULL && !feof(fp)) {
goto error;
}
if(_alpm_strip_newline(line, 0) == 0) {
/* length of stripped line was zero */
continue;
}
if(strcmp(line, "%NAME%") == 0) {
READ_NEXT();
if(strcmp(line, info->name) != 0) {
_alpm_log(db->handle, ALPM_LOG_ERROR, _("%s database is inconsistent: name "
"mismatch on package %s\n"), db->treename, info->name);
}
} else if(strcmp(line, "%VERSION%") == 0) {
READ_NEXT();
if(strcmp(line, info->version) != 0) {
_alpm_log(db->handle, ALPM_LOG_ERROR, _("%s database is inconsistent: version "
"mismatch on package %s\n"), db->treename, info->name);
}
} else if(strcmp(line, "%BASE%") == 0) {
READ_AND_STORE(info->base);
} else if(strcmp(line, "%DESC%") == 0) {
READ_AND_STORE(info->desc);
} else if(strcmp(line, "%GROUPS%") == 0) {
READ_AND_STORE_ALL(info->groups);
} else if(strcmp(line, "%URL%") == 0) {
READ_AND_STORE(info->url);
} else if(strcmp(line, "%LICENSE%") == 0) {
READ_AND_STORE_ALL(info->licenses);
} else if(strcmp(line, "%ARCH%") == 0) {
READ_AND_STORE(info->arch);
} else if(strcmp(line, "%BUILDDATE%") == 0) {
READ_NEXT();
info->builddate = _alpm_parsedate(line);
} else if(strcmp(line, "%INSTALLDATE%") == 0) {
READ_NEXT();
info->installdate = _alpm_parsedate(line);
} else if(strcmp(line, "%PACKAGER%") == 0) {
READ_AND_STORE(info->packager);
} else if(strcmp(line, "%REASON%") == 0) {
READ_NEXT();
info->reason = (alpm_pkgreason_t)atoi(line);
} else if(strcmp(line, "%VALIDATION%") == 0) {
alpm_list_t *i, *v = NULL;
READ_AND_STORE_ALL(v);
for(i = v; i; i = alpm_list_next(i))
{
if(strcmp(i->data, "none") == 0) {
info->validation |= ALPM_PKG_VALIDATION_NONE;
} else if(strcmp(i->data, "md5") == 0) {
info->validation |= ALPM_PKG_VALIDATION_MD5SUM;
} else if(strcmp(i->data, "sha256") == 0) {
info->validation |= ALPM_PKG_VALIDATION_SHA256SUM;
} else if(strcmp(i->data, "pgp") == 0) {
info->validation |= ALPM_PKG_VALIDATION_SIGNATURE;
} else {
_alpm_log(db->handle, ALPM_LOG_WARNING,
_("unknown validation type for package %s: %s\n"),
info->name, (const char *)i->data);
}
}
FREELIST(v);
} else if(strcmp(line, "%SIZE%") == 0) {
READ_NEXT();
info->isize = _alpm_strtoofft(line);
} else if(strcmp(line, "%REPLACES%") == 0) {
READ_AND_SPLITDEP(info->replaces);
} else if(strcmp(line, "%DEPENDS%") == 0) {
READ_AND_SPLITDEP(info->depends);
} else if(strcmp(line, "%OPTDEPENDS%") == 0) {
READ_AND_SPLITDEP(info->optdepends);
} else if(strcmp(line, "%CONFLICTS%") == 0) {
READ_AND_SPLITDEP(info->conflicts);
} else if(strcmp(line, "%PROVIDES%") == 0) {
READ_AND_SPLITDEP(info->provides);
}
}
fclose(fp);
fp = NULL;
info->infolevel |= INFRQ_DESC;
}
/* FILES */
if(inforeq & INFRQ_FILES && !(info->infolevel & INFRQ_FILES)) {
char *path = _alpm_local_db_pkgpath(db, info, "files");
if(!path || (fp = fopen(path, "r")) == NULL) {
_alpm_log(db->handle, ALPM_LOG_ERROR, _("could not open file %s: %s\n"), path, strerror(errno));
free(path);
goto error;
}
free(path);
while(safe_fgets(line, sizeof(line), fp)) {
_alpm_strip_newline(line, 0);
if(strcmp(line, "%FILES%") == 0) {
size_t files_count = 0, files_size = 0, len;
alpm_file_t *files = NULL;
while(safe_fgets(line, sizeof(line), fp) &&
(len = _alpm_strip_newline(line, 0))) {
if(!_alpm_greedy_grow((void **)&files, &files_size,
(files_count ? (files_count + 1) * sizeof(alpm_file_t) : 8 * sizeof(alpm_file_t)))) {
goto error;
}
/* since we know the length of the file string already,
* we can do malloc + memcpy rather than strdup */
len += 1;
MALLOC(files[files_count].name, len, goto error);
memcpy(files[files_count].name, line, len);
files_count++;
}
/* attempt to hand back any memory we don't need */
if(files_count > 0) {
files = realloc(files, sizeof(alpm_file_t) * files_count);
/* make sure the list is sorted */
qsort(files, files_count, sizeof(alpm_file_t), _alpm_files_cmp);
} else {
FREE(files);
}
info->files.count = files_count;
info->files.files = files;
} else if(strcmp(line, "%BACKUP%") == 0) {
/**
* @brief Parse a pacman-style INI config file.
*
* @param file path to the config file
* @param cb callback for key/value pairs
* @param data caller defined data to be passed to the callback
*
* @return the callback return value
*
* @note The callback will be called at the beginning of each section with an
* empty key and value and for each key/value pair.
*
* @note If the parser encounters an error the callback will be called with
* section, key, and value set to NULL and errno set by fopen, fgets, or
* strdup.
*
* @note The @a key and @a value passed to @ cb will be overwritten between
* calls. The section name will remain valid until after @a cb is called to
* begin a new section.
*
* @note Parsing will immediately stop if the callback returns non-zero.
*/
int parse_ini(const char *file, ini_parser_fn cb, void *data)
{
char line[PATH_MAX], *section_name = NULL;
FILE *fp = NULL;
int linenum = 0;
int ret = 0;
fp = fopen(file, "r");
if(fp == NULL) {
return cb(file, 0, NULL, NULL, NULL, data);
}
while(safe_fgets(line, PATH_MAX, fp)) {
char *key, *value, *ptr;
size_t line_len;
linenum++;
/* ignore whole line and end of line comments */
if((ptr = strchr(line, '#'))) {
*ptr = '\0';
}
line_len = strtrim(line);
if(line_len == 0) {
continue;
}
if(line[0] == '[' && line[line_len - 1] == ']') {
char *name;
/* new config section, skip the '[' */
name = strdup(line + 1);
name[line_len - 2] = '\0';
ret = cb(file, linenum, name, NULL, NULL, data);
free(section_name);
section_name = name;
/* we're at a new section; perform any post-actions for the prior */
if(ret) {
goto cleanup;
}
continue;
}
/* directive */
/* strsep modifies the 'line' string: 'key \0 value' */
key = line;
value = line;
strsep(&value, "=");
strtrim(key);
strtrim(value);
if((ret = cb(file, linenum, section_name, key, value, data)) != 0) {
goto cleanup;
}
}
cleanup:
fclose(fp);
free(section_name);
return ret;
}
static void NOINLINE retrieve_file_data(FILE *dfp, int output_fd)
{
char buf[512];
#if ENABLE_FEATURE_WGET_STATUSBAR || ENABLE_FEATURE_WGET_TIMEOUT
# if ENABLE_FEATURE_WGET_TIMEOUT
unsigned second_cnt;
# endif
struct pollfd polldata;
polldata.fd = fileno(dfp);
polldata.events = POLLIN | POLLPRI;
ndelay_on(polldata.fd);
#endif
progress_meter(PROGRESS_START);
if (G.chunked)
goto get_clen;
/* Loops only if chunked */
while (1) {
while (1) {
int n;
unsigned rdsz;
rdsz = sizeof(buf);
if (G.got_clen) {
if (G.content_len < (off_t)sizeof(buf)) {
if ((int)G.content_len <= 0)
break;
rdsz = (unsigned)G.content_len;
}
}
#if ENABLE_FEATURE_WGET_STATUSBAR || ENABLE_FEATURE_WGET_TIMEOUT
# if ENABLE_FEATURE_WGET_TIMEOUT
second_cnt = G.timeout_seconds;
# endif
while (1) {
if (safe_poll(&polldata, 1, 1000) != 0)
break; /* error, EOF, or data is available */
# if ENABLE_FEATURE_WGET_TIMEOUT
if (second_cnt != 0 && --second_cnt == 0) {
progress_meter(PROGRESS_END);
bb_perror_msg_and_die("download timed out");
}
# endif
/* Needed for "stalled" indicator */
progress_meter(PROGRESS_BUMP);
}
#endif
n = safe_fread(buf, rdsz, dfp);
if (n <= 0) {
if (ferror(dfp)) {
/* perror will not work: ferror doesn't set errno */
bb_error_msg_and_die(bb_msg_read_error);
}
break;
}
xwrite(output_fd, buf, n);
#if ENABLE_FEATURE_WGET_STATUSBAR
G.transferred += n;
progress_meter(PROGRESS_BUMP);
#endif
if (G.got_clen)
G.content_len -= n;
}
if (!G.chunked)
break;
safe_fgets(buf, sizeof(buf), dfp); /* This is a newline */
get_clen:
safe_fgets(buf, sizeof(buf), dfp);
G.content_len = STRTOOFF(buf, NULL, 16);
/* FIXME: error check? */
if (G.content_len == 0)
break; /* all done! */
G.got_clen = 1;
}
progress_meter(PROGRESS_END);
}
void load_CONFIG(CONFIG *cfg, char *file, int silent)
{
FILE *fp;
char buff[MAX_BUFF_LEN], id[MAX_BUFF_LEN], *buff_ptr;
int cfg_ind;
if ((*(file) == NULL_CHAR) || ((fp=fopen(file,"r")) == NULL)){
fprintf(stderr,"Warning: Config file %s is unreadable\n",file);
return;
}
while (safe_fgets(buff,MAX_BUFF_LEN,fp) != CNULL)
if (!is_comment(buff) && !is_comment_info(buff)){
buff_ptr = buff;
strip_newline(buff_ptr);
wrdcpy(id,buff_ptr);
if ((cfg_ind = is_CONFIG_id(cfg,id)) != NOT_CONFIG_ID){
find_next_word(&buff_ptr);
switch (cfg->rec_list[cfg_ind].value_type){
case CFG_TGL:
cfg->rec_list[cfg_ind].value = (char *)TOGGLE_ON_CHR;
break;
case CFG_C:
wrdcpy(cfg->rec_list[cfg_ind].value,buff_ptr);
break;
case CFG_C2:{
char **t_arr;
int arg_count = 0;
t_arr = (char **)cfg->rec_list[cfg_ind].value;
while ((*buff_ptr != NULL_CHAR) &&
(arg_count < cfg->rec_list[cfg_ind].num_elem)){
wrdcpy(t_arr[arg_count++],buff_ptr);
find_next_word(&buff_ptr);
}
if ((arg_count == cfg->rec_list[cfg_ind].num_elem) &&
(*buff_ptr != NULL_CHAR))
if (!silent){
fprintf(stderr,"Warning: Ignored Config elements\n");
fprintf(stderr," %s of\n %s\n",
buff_ptr,buff);
}
break;
}
case CFG_STR:
strcpy(cfg->rec_list[cfg_ind].value,buff_ptr);
break;
default:
fprintf(stderr,"Error: Unknown CONFIG type %d\n",
cfg->rec_list[cfg_ind].value_type);
exit(-1);
break;
}
reset_group(cfg,cfg_ind);
}
else if (!silent)
fprintf(stderr,"Warning: Configuration not usable - %s\n",buff);
}
fclose(fp);
}
static int
retrieve_file_data(struct globals *state,
FILE *dfp,
int (*progress)(void *data, int current, int total),
int (*output_func)(void *data, char *bytes, int len),
void *data)
{
char buf[4*1024]; /* made bigger to speed up local xfers */
unsigned second_cnt;
struct pollfd polldata;
polldata.fd = fileno(dfp);
polldata.events = POLLIN | POLLPRI;
progress(data, 0, state->total_len);
if (state->chunked)
goto get_clen;
/* Loops only if chunked */
while (1) {
ndelay_on(polldata.fd);
while (1) {
int n;
unsigned rdsz;
rdsz = sizeof(buf);
if (state->got_clen) {
if (state->content_len < (off_t)sizeof(buf)) {
if ((int)state->content_len <= 0)
break;
rdsz = (unsigned)state->content_len;
}
}
second_cnt = state->timeout_seconds;
while (1) {
if (safe_poll(&polldata, 1, 1000) != 0)
break; /* error, EOF, or data is available */
if (second_cnt != 0 && --second_cnt == 0) {
progress(data, -1, state->total_len);
ERROR("download timed out");
return -1;
}
/* Needed for "stalled" indicator */
progress(data, state->transferred, state->total_len);
}
/* fread internally uses read loop, which in our case
* is usually exited when we get EAGAIN.
* In this case, libc sets error marker on the stream.
* Need to clear it before next fread to avoid possible
* rare false positive ferror below. Rare because usually
* fread gets more than zero bytes, and we don't fall
* into if (n <= 0) ...
*/
clearerr(dfp);
errno = 0;
n = safe_fread(buf, rdsz, dfp);
/* man fread:
* If error occurs, or EOF is reached, the return value
* is a short item count (or zero).
* fread does not distinguish between EOF and error.
*/
if (n <= 0) {
if (errno == EAGAIN) /* poll lied, there is no data? */
continue; /* yes */
if (ferror(dfp))
ERROR("Could not read file");
break; /* EOF, not error */
}
output_func(data, buf, n);
state->transferred += n;
progress(data, state->transferred, state->total_len);
if (state->got_clen) {
state->content_len -= n;
if (state->content_len == 0)
break;
}
}
ndelay_off(polldata.fd);
if (!state->chunked)
break;
safe_fgets(buf, sizeof(buf), dfp); /* This is a newline */
get_clen:
safe_fgets(buf, sizeof(buf), dfp);
state->content_len = strtol(buf, NULL, 16);
/* FIXME: error check? */
if (state->content_len == 0)
break; /* all done! */
state->got_clen = 1;
}
progress(data, state->transferred, state->total_len);
return 0;
}
