/*
- *
+ *
* This source code is part of
- *
+ *
* G R O M A C S
- *
+ *
* GROningen MAchine for Chemical Simulations
- *
+ *
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
- *
+ *
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
* be called official GROMACS. Details are found in the README & COPYING
* files - if they are missing, get the official version at www.gromacs.org.
- *
+ *
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
- *
+ *
* For more info, check our website at http://www.gromacs.org
- *
+ *
* And Hey:
* GROningen Mixture of Alchemy and Childrens' Stories
*/
int continuing(char *s)
{
- int sl;
- assert(s);
-
- rtrim(s);
- sl = strlen(s);
- if ((sl > 0) && (s[sl-1] == CONTINUE)) {
- s[sl-1] = 0;
- return TRUE;
- }
- else
- return FALSE;
+ int sl;
+ assert(s);
+
+ rtrim(s);
+ sl = strlen(s);
+ if ((sl > 0) && (s[sl-1] == CONTINUE))
+ {
+ s[sl-1] = 0;
+ return TRUE;
+ }
+ else
+ {
+ return FALSE;
+ }
}
char *fgets2(char *line, int n, FILE *stream)
{
- char *c;
- if (fgets(line,n,stream) == NULL) {
- return NULL;
- }
- if ((c=strchr(line,'\n')) != NULL) {
- *c = '\0';
- } else {
- /* A line not ending in a newline can only occur at the end of a file,
- * or because of n being too small.
- * Since both cases occur very infrequently, we can check for EOF.
- */
- if (!gmx_eof(stream)) {
- gmx_fatal(FARGS,"An input file contains a line longer than %d characters, while the buffer passed to fgets2 has size %d. The line starts with: '%20.20s'",n,n,line);
+ char *c;
+ if (fgets(line, n, stream) == NULL)
+ {
+ return NULL;
+ }
+ if ((c = strchr(line, '\n')) != NULL)
+ {
+ *c = '\0';
+ }
+ else
+ {
+ /* A line not ending in a newline can only occur at the end of a file,
+ * or because of n being too small.
+ * Since both cases occur very infrequently, we can check for EOF.
+ */
+ if (!gmx_eof(stream))
+ {
+ gmx_fatal(FARGS, "An input file contains a line longer than %d characters, while the buffer passed to fgets2 has size %d. The line starts with: '%20.20s'", n, n, line);
+ }
+ }
+ if ((c = strchr(line, '\r')) != NULL)
+ {
+ *c = '\0';
}
- }
- if ((c=strchr(line,'\r')) != NULL) {
- *c = '\0';
- }
- return line;
+ return line;
}
void strip_comment (char *line)
{
- char *c;
+ char *c;
- if (!line)
- return;
+ if (!line)
+ {
+ return;
+ }
- /* search for a comment mark and replace it by a zero */
- if ((c = strchr(line,COMMENTSIGN)) != NULL)
- (*c) = 0;
+ /* search for a comment mark and replace it by a zero */
+ if ((c = strchr(line, COMMENTSIGN)) != NULL)
+ {
+ (*c) = 0;
+ }
}
void upstring (char *str)
{
- int i;
+ int i;
- for (i=0; (i < (int)strlen(str)); i++)
- str[i] = toupper(str[i]);
+ for (i = 0; (i < (int)strlen(str)); i++)
+ {
+ str[i] = toupper(str[i]);
+ }
}
void ltrim (char *str)
{
- char *tr;
- int i,c;
+ char *tr;
+ int i, c;
- if (NULL == str)
- return;
+ if (NULL == str)
+ {
+ return;
+ }
- c = 0;
- while (('\0' != str[c]) && isspace(str[c]))
- c++;
- if (c > 0)
+ c = 0;
+ while (('\0' != str[c]) && isspace(str[c]))
{
- for(i=c; ('\0' != str[i]); i++)
- str[i-c] = str[i];
- str[i-c] = '\0';
+ c++;
+ }
+ if (c > 0)
+ {
+ for (i = c; ('\0' != str[i]); i++)
+ {
+ str[i-c] = str[i];
+ }
+ str[i-c] = '\0';
}
}
void rtrim (char *str)
{
- int nul;
+ int nul;
- if (NULL == str)
- return;
+ if (NULL == str)
+ {
+ return;
+ }
- nul = strlen(str)-1;
- while ((nul > 0) && ((str[nul] == ' ') || (str[nul] == '\t')) ) {
- str[nul] = '\0';
- nul--;
- }
+ nul = strlen(str)-1;
+ while ((nul > 0) && ((str[nul] == ' ') || (str[nul] == '\t')) )
+ {
+ str[nul] = '\0';
+ nul--;
+ }
}
void trim (char *str)
{
- ltrim (str);
- rtrim (str);
+ ltrim (str);
+ rtrim (str);
}
char *
-gmx_ctime_r(const time_t *clock,char *buf, int n)
+gmx_ctime_r(const time_t *clock, char *buf, int n)
{
char tmpbuf[STRLEN];
-
+
#ifdef GMX_NATIVE_WINDOWS
/* Windows */
ctime_s( tmpbuf, STRLEN, clock );
/*Solaris*/
ctime_r(clock, tmpbuf, n);
#else
- ctime_r(clock,tmpbuf);
+ ctime_r(clock, tmpbuf);
#endif
- strncpy(buf,tmpbuf,n-1);
- buf[n-1]='\0';
-
+ strncpy(buf, tmpbuf, n-1);
+ buf[n-1] = '\0';
+
return buf;
}
-
-void nice_header (FILE *out,const char *fn)
+
+void nice_header (FILE *out, const char *fn)
{
- const char *unk = "onbekend";
- time_t clock;
- const char *user=unk;
- int gh;
+ const char *unk = "onbekend";
+ time_t clock;
+ const char *user = unk;
+ int gh;
#ifdef HAVE_PWD_H
- uid_t uid;
+ uid_t uid;
#else
- int uid;
+ int uid;
#endif
- char buf[256]="";
- char timebuf[STRLEN];
+ char buf[256] = "";
+ char timebuf[STRLEN];
#ifdef HAVE_PWD_H
- struct passwd *pw;
+ struct passwd *pw;
#endif
- /* Print a nice header above the file */
- time(&clock);
- fprintf (out,"%c\n",COMMENTSIGN);
- fprintf (out,"%c\tFile '%s' was generated\n",COMMENTSIGN,fn ? fn : unk);
-
+ /* Print a nice header above the file */
+ time(&clock);
+ fprintf (out, "%c\n", COMMENTSIGN);
+ fprintf (out, "%c\tFile '%s' was generated\n", COMMENTSIGN, fn ? fn : unk);
+
#ifdef HAVE_PWD_H
- uid = getuid();
- pw = getpwuid(uid);
- gh = gethostname(buf,255);
- user= pw->pw_name;
+ uid = getuid();
+ pw = getpwuid(uid);
+ gh = gethostname(buf, 255);
+ user = pw->pw_name;
#else
- uid = 0;
- gh = -1;
+ uid = 0;
+ gh = -1;
#endif
-
- gmx_ctime_r(&clock,timebuf,STRLEN);
- fprintf (out,"%c\tBy user: %s (%d)\n",COMMENTSIGN,
- user ? user : unk,(int) uid);
- fprintf(out,"%c\tOn host: %s\n",COMMENTSIGN,(gh == 0) ? buf : unk);
-
- fprintf (out,"%c\tAt date: %s",COMMENTSIGN,timebuf);
- fprintf (out,"%c\n",COMMENTSIGN);
+
+ gmx_ctime_r(&clock, timebuf, STRLEN);
+ fprintf (out, "%c\tBy user: %s (%d)\n", COMMENTSIGN,
+ user ? user : unk, (int) uid);
+ fprintf(out, "%c\tOn host: %s\n", COMMENTSIGN, (gh == 0) ? buf : unk);
+
+ fprintf (out, "%c\tAt date: %s", COMMENTSIGN, timebuf);
+ fprintf (out, "%c\n", COMMENTSIGN);
}
int gmx_strcasecmp_min(const char *str1, const char *str2)
{
- char ch1,ch2;
+ char ch1, ch2;
do
{
do
{
- ch1=toupper(*(str1++));
+ ch1 = toupper(*(str1++));
}
- while ((ch1=='-') || (ch1=='_'));
+ while ((ch1 == '-') || (ch1 == '_'));
do
{
- ch2=toupper(*(str2++));
+ ch2 = toupper(*(str2++));
}
- while ((ch2=='-') || (ch2=='_'));
+ while ((ch2 == '-') || (ch2 == '_'));
- if (ch1!=ch2) return (ch1-ch2);
+ if (ch1 != ch2)
+ {
+ return (ch1-ch2);
+ }
}
while (ch1);
return 0;
int gmx_strncasecmp_min(const char *str1, const char *str2, int n)
{
- char ch1,ch2;
+ char ch1, ch2;
char *stri1, *stri2;
- stri1=(char *)str1;
- stri2=(char *)str2;
+ stri1 = (char *)str1;
+ stri2 = (char *)str2;
do
{
do
{
- ch1=toupper(*(str1++));
+ ch1 = toupper(*(str1++));
}
- while ((ch1=='-') || (ch1=='_'));
+ while ((ch1 == '-') || (ch1 == '_'));
do
{
- ch2=toupper(*(str2++));
+ ch2 = toupper(*(str2++));
}
- while ((ch2=='-') || (ch2=='_'));
+ while ((ch2 == '-') || (ch2 == '_'));
- if (ch1!=ch2) return (ch1-ch2);
+ if (ch1 != ch2)
+ {
+ return (ch1-ch2);
+ }
}
- while (ch1 && (str1-stri1<n) && (str2-stri2<n));
- return 0;
+ while (ch1 && (str1-stri1 < n) && (str2-stri2 < n));
+ return 0;
}
int gmx_strcasecmp(const char *str1, const char *str2)
{
- char ch1,ch2;
-
- do
+ char ch1, ch2;
+
+ do
{
- ch1=toupper(*(str1++));
- ch2=toupper(*(str2++));
- if (ch1!=ch2) return (ch1-ch2);
+ ch1 = toupper(*(str1++));
+ ch2 = toupper(*(str2++));
+ if (ch1 != ch2)
+ {
+ return (ch1-ch2);
+ }
}
- while (ch1);
- return 0;
+ while (ch1);
+ return 0;
}
int gmx_strncasecmp(const char *str1, const char *str2, int n)
{
- char ch1,ch2;
-
- if(n==0)
- return 0;
+ char ch1, ch2;
- do
+ if (n == 0)
{
- ch1=toupper(*(str1++));
- ch2=toupper(*(str2++));
- if (ch1!=ch2) return (ch1-ch2);
- n--;
+ return 0;
}
- while (ch1 && n);
- return 0;
+
+ do
+ {
+ ch1 = toupper(*(str1++));
+ ch2 = toupper(*(str2++));
+ if (ch1 != ch2)
+ {
+ return (ch1-ch2);
+ }
+ n--;
+ }
+ while (ch1 && n);
+ return 0;
}
char *gmx_strdup(const char *src)
{
- char *dest;
+ char *dest;
+
+ snew(dest, strlen(src)+1);
+ strcpy(dest, src);
- snew(dest,strlen(src)+1);
- strcpy(dest,src);
-
- return dest;
+ return dest;
}
char *
char *dest;
len = strlen(src);
- if (len > n)
+ if (len > n)
{
len = n;
}
* Do NOT use any other value unless you really know what you are doing.
*/
const unsigned int
-gmx_string_hash_init = 5381;
+ gmx_string_hash_init = 5381;
unsigned int
while ((c = toupper(*s++)) != '\0')
{
- if(isalnum(c)) hash_init = ((hash_init << 5) + hash_init) ^ c; /* (hash * 33) xor c */
+ if (isalnum(c))
+ {
+ hash_init = ((hash_init << 5) + hash_init) ^ c; /* (hash * 33) xor c */
+ }
}
return hash_init;
}
return (*str == 0) ? 0 : GMX_NO_WCMATCH;
}
-char *wrap_lines(const char *buf,int line_width, int indent,gmx_bool bIndentFirst)
+char *wrap_lines(const char *buf, int line_width, int indent, gmx_bool bIndentFirst)
{
- char *b2;
- int i,i0,i2,j,b2len,lspace=0,l2space=0;
- gmx_bool bFirst,bFitsOnLine;
-
- /* characters are copied from buf to b2 with possible spaces changed
- * into newlines and extra space added for indentation.
- * i indexes buf (source buffer) and i2 indexes b2 (destination buffer)
- * i0 points to the beginning of the current line (in buf, source)
- * lspace and l2space point to the last space on the current line
- * bFirst is set to prevent indentation of first line
- * bFitsOnLine says if the first space occurred before line_width, if
- * that is not the case, we have a word longer than line_width which
- * will also not fit on the next line, so we might as well keep it on
- * the current line (where it also won't fit, but looks better)
- */
-
- b2=NULL;
- b2len=strlen(buf)+1+indent;
- snew(b2,b2len);
- i0=i2=0;
- if (bIndentFirst)
- for(i2=0; (i2<indent); i2++)
- b2[i2] = ' ';
- bFirst=TRUE;
- do {
- l2space = -1;
- /* find the last space before end of line */
- for(i=i0; ((i-i0 < line_width) || (l2space==-1)) && (buf[i]); i++) {
- b2[i2++] = buf[i];
- /* remember the position of a space */
- if (buf[i] == ' ') {
- lspace = i;
- l2space = i2-1;
- }
- /* if we have a newline before the line is full, reset counters */
- if (buf[i]=='\n' && buf[i+1]) {
- i0=i+1;
- b2len+=indent;
- srenew(b2, b2len);
- /* add indentation after the newline */
- for(j=0; (j<indent); j++)
- b2[i2++]=' ';
- }
- }
- /* If we are at the last newline, copy it */
- if (buf[i]=='\n' && !buf[i+1]) {
- b2[i2++] = buf[i++];
- }
- /* if we're not at the end of the string */
- if (buf[i]) {
- /* check if one word does not fit on the line */
- bFitsOnLine = (i-i0 <= line_width);
- /* reset line counters to just after the space */
- i0 = lspace+1;
- i2 = l2space+1;
- /* if the words fit on the line, and we're beyond the indentation part */
- if ( (bFitsOnLine) && (l2space >= indent) ) {
- /* start a new line */
- b2[l2space] = '\n';
- /* and add indentation */
- if (indent) {
- if (bFirst) {
- line_width-=indent;
- bFirst=FALSE;
- }
- b2len+=indent;
- srenew(b2, b2len);
- for(j=0; (j<indent); j++)
- b2[i2++]=' ';
- /* no extra spaces after indent; */
- while(buf[i0]==' ')
- i0++;
- }
- }
- }
- } while (buf[i]);
- b2[i2] = '\0';
-
- return b2;
+ char *b2;
+ int i, i0, i2, j, b2len, lspace = 0, l2space = 0;
+ gmx_bool bFirst, bFitsOnLine;
+
+ /* characters are copied from buf to b2 with possible spaces changed
+ * into newlines and extra space added for indentation.
+ * i indexes buf (source buffer) and i2 indexes b2 (destination buffer)
+ * i0 points to the beginning of the current line (in buf, source)
+ * lspace and l2space point to the last space on the current line
+ * bFirst is set to prevent indentation of first line
+ * bFitsOnLine says if the first space occurred before line_width, if
+ * that is not the case, we have a word longer than line_width which
+ * will also not fit on the next line, so we might as well keep it on
+ * the current line (where it also won't fit, but looks better)
+ */
+
+ b2 = NULL;
+ b2len = strlen(buf)+1+indent;
+ snew(b2, b2len);
+ i0 = i2 = 0;
+ if (bIndentFirst)
+ {
+ for (i2 = 0; (i2 < indent); i2++)
+ {
+ b2[i2] = ' ';
+ }
+ }
+ bFirst = TRUE;
+ do
+ {
+ l2space = -1;
+ /* find the last space before end of line */
+ for (i = i0; ((i-i0 < line_width) || (l2space == -1)) && (buf[i]); i++)
+ {
+ b2[i2++] = buf[i];
+ /* remember the position of a space */
+ if (buf[i] == ' ')
+ {
+ lspace = i;
+ l2space = i2-1;
+ }
+ /* if we have a newline before the line is full, reset counters */
+ if (buf[i] == '\n' && buf[i+1])
+ {
+ i0 = i+1;
+ b2len += indent;
+ srenew(b2, b2len);
+ /* add indentation after the newline */
+ for (j = 0; (j < indent); j++)
+ {
+ b2[i2++] = ' ';
+ }
+ }
+ }
+ /* If we are at the last newline, copy it */
+ if (buf[i] == '\n' && !buf[i+1])
+ {
+ b2[i2++] = buf[i++];
+ }
+ /* if we're not at the end of the string */
+ if (buf[i])
+ {
+ /* check if one word does not fit on the line */
+ bFitsOnLine = (i-i0 <= line_width);
+ /* reset line counters to just after the space */
+ i0 = lspace+1;
+ i2 = l2space+1;
+ /* if the words fit on the line, and we're beyond the indentation part */
+ if ( (bFitsOnLine) && (l2space >= indent) )
+ {
+ /* start a new line */
+ b2[l2space] = '\n';
+ /* and add indentation */
+ if (indent)
+ {
+ if (bFirst)
+ {
+ line_width -= indent;
+ bFirst = FALSE;
+ }
+ b2len += indent;
+ srenew(b2, b2len);
+ for (j = 0; (j < indent); j++)
+ {
+ b2[i2++] = ' ';
+ }
+ /* no extra spaces after indent; */
+ while (buf[i0] == ' ')
+ {
+ i0++;
+ }
+ }
+ }
+ }
+ }
+ while (buf[i]);
+ b2[i2] = '\0';
+
+ return b2;
}
-char **split(char sep,const char *str)
+char **split(char sep, const char *str)
{
- char **ptr = NULL;
- int n,nn,nptr = 0;
-
- if (str == NULL)
- return NULL;
- nn = strlen(str);
- for(n=0; (n<nn); n++)
- if (str[n] == sep)
- nptr++;
- snew(ptr,nptr+2);
- nptr = 0;
- while (*str != '\0') {
- while ((*str != '\0') && (*str == sep))
- str++;
- if (*str != '\0') {
- snew(ptr[nptr],1+strlen(str));
- n = 0;
- while ((*str != '\0') && (*str != sep)) {
- ptr[nptr][n] = *str;
- str++;
- n++;
- }
- ptr[nptr][n] = '\0';
- nptr++;
- }
- }
- ptr[nptr] = NULL;
-
- return ptr;
+ char **ptr = NULL;
+ int n, nn, nptr = 0;
+
+ if (str == NULL)
+ {
+ return NULL;
+ }
+ nn = strlen(str);
+ for (n = 0; (n < nn); n++)
+ {
+ if (str[n] == sep)
+ {
+ nptr++;
+ }
+ }
+ snew(ptr, nptr+2);
+ nptr = 0;
+ while (*str != '\0')
+ {
+ while ((*str != '\0') && (*str == sep))
+ {
+ str++;
+ }
+ if (*str != '\0')
+ {
+ snew(ptr[nptr], 1+strlen(str));
+ n = 0;
+ while ((*str != '\0') && (*str != sep))
+ {
+ ptr[nptr][n] = *str;
+ str++;
+ n++;
+ }
+ ptr[nptr][n] = '\0';
+ nptr++;
+ }
+ }
+ ptr[nptr] = NULL;
+
+ return ptr;
}
gmx_large_int_t
str_to_large_int_t(const char *str, char **endptr)
{
- int sign = 1;
- gmx_large_int_t val = 0;
- char ch;
- const char *p;
-
- p = str;
- if(p==NULL)
- {
- *endptr=NULL;
- return 0;
- }
-
- /* Strip off initial white space */
- while(isspace(*p))
- {
- p++;
- }
- /* Conform to ISO C99 - return original pointer if string does not contain a number */
- if(*str=='\0')
- {
- *endptr=(char *)str;
- }
-
- if(*p=='-')
- {
- p++;
- sign *= -1;
- }
-
- while( ((ch=*p) != '\0') && isdigit(ch) )
- {
- /* Important to add sign here, so we dont overflow in final multiplication */
- ch = (ch-'0')*sign;
- val = val*10 + ch;
- if(ch != val%10)
- {
- /* Some sort of overflow has occured, set endptr to original string */
- *endptr=(char *)str;
- errno = ERANGE;
- return(0);
- }
- p++;
- }
-
- *endptr=(char *)p;
-
- return val;
+ int sign = 1;
+ gmx_large_int_t val = 0;
+ char ch;
+ const char *p;
+
+ p = str;
+ if (p == NULL)
+ {
+ *endptr = NULL;
+ return 0;
+ }
+
+ /* Strip off initial white space */
+ while (isspace(*p))
+ {
+ p++;
+ }
+ /* Conform to ISO C99 - return original pointer if string does not contain a number */
+ if (*str == '\0')
+ {
+ *endptr = (char *)str;
+ }
+
+ if (*p == '-')
+ {
+ p++;
+ sign *= -1;
+ }
+
+ while ( ((ch = *p) != '\0') && isdigit(ch) )
+ {
+ /* Important to add sign here, so we dont overflow in final multiplication */
+ ch = (ch-'0')*sign;
+ val = val*10 + ch;
+ if (ch != val%10)
+ {
+ /* Some sort of overflow has occured, set endptr to original string */
+ *endptr = (char *)str;
+ errno = ERANGE;
+ return(0);
+ }
+ p++;
+ }
+
+ *endptr = (char *)p;
+
+ return val;
}
char *gmx_strsep(char **stringp, const char *delim)
{
char *ret;
- int len=strlen(delim);
- int i,j=0;
- int found=0;
+ int len = strlen(delim);
+ int i, j = 0;
+ int found = 0;
- if (! *stringp)
+ if (!*stringp)
+ {
return NULL;
- ret=*stringp;
+ }
+ ret = *stringp;
do
{
if ( (*stringp)[j] == '\0')
{
- found=1;
- *stringp=NULL;
+ found = 1;
+ *stringp = NULL;
break;
}
- for (i=0;i<len;i++)
+ for (i = 0; i < len; i++)
{
- if ( (*stringp)[j]==delim[i])
+ if ( (*stringp)[j] == delim[i])
{
- (*stringp)[j]='\0';
- *stringp=*stringp+j+1;
- found=1;
+ (*stringp)[j] = '\0';
+ *stringp = *stringp+j+1;
+ found = 1;
break;
}
}
j++;
- } while (!found);
+ }
+ while (!found);
return ret;
}
-
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff