void nice_header (FILE *out,const char *fn);
-int strcasecmp_min(const char *str1, const char *str2);
-int strncasecmp_min(const char *str1, const char *str2, int n);
+int gmx_strcasecmp_min(const char *str1, const char *str2);
+int gmx_strncasecmp_min(const char *str1, const char *str2, int n);
/* This funny version of strcasecmp, is not only case-insensitive,
* but also ignores '-' and '_'.
*/
set_prop(aps,epropElement);
for(i=0; (i<ap->prop[epropElement].nprop); i++) {
- if (strcasecmp(ap->prop[epropElement].atomnm[i],elem) == 0) {
+ if (gmx_strcasecmp(ap->prop[epropElement].atomnm[i],elem) == 0) {
return gmx_nint(ap->prop[epropElement].value[i]);
}
}
}
fn = outputfiles[0].filename;
if (strlen(fn) < 4 ||
- strcasecmp(fn+strlen(fn)-4,ftp2ext(efLOG)) == 0)
+ gmx_strcasecmp(fn+strlen(fn)-4,ftp2ext(efLOG)) == 0)
{
gmx_fatal(FARGS,"File appending requested, but the log file is not the first file listed in the checkpoint file");
}
for (i = 0; (i < efNR); i++)
if ((eptr = deffile[i].ext) != NULL)
- if (strcasecmp(feptr, eptr) == 0)
+ if (gmx_strcasecmp(feptr, eptr) == 0)
break;
return i;
df = &(deffile[ftp]);
len = strlen(buf);
extlen = strlen(df->ext);
- if ((len <= extlen) || (strcasecmp(&(buf[len - extlen]), df->ext) != 0))
+ if ((len <= extlen) || (gmx_strcasecmp(&(buf[len - extlen]), df->ext) != 0))
strcat(buf, df->ext);
}
extlen = strlen(z_ext[i]);
if (len > extlen)
{
- if (strcasecmp(name+len-extlen,z_ext[i]) == 0)
+ if (gmx_strcasecmp(name+len-extlen,z_ext[i]) == 0)
{
buf[len-extlen]='\0';
break;
* too, or we wont be able to detect that the file exists
*/
#if (defined WIN32 || defined _WIN32 || defined WIN64 || defined _WIN64 || defined __CYGWIN__ || defined __CYGWIN32__)
- if(strlen(bin_name)<3 || strncasecmp(bin_name+strlen(bin_name)-4,".exe",4))
+ if(strlen(bin_name)<3 || gmx_strncasecmp(bin_name+strlen(bin_name)-4,".exe",4))
strcat(bin_name,".exe");
#endif
};
const int wholename[NCH] = { -1, 0,-1,-1,-1,-1,-1,-1, 11,-1 };
/* the index in wholename gives the first item in the arrays of
- * atomtypes that should be tested with 'strncasecmp' in stead of
- * strcasecmp, or -1 if all items should be tested with strcasecmp
+ * atomtypes that should be tested with 'gmx_strncasecmp' in stead of
+ * gmx_strcasecmp, or -1 if all items should be tested with strcasecmp
* This is comparable to using a '*' wildcard at the end of specific
* atom names, but that is more involved to implement...
*/
while (isdigit(atnm[0]))
atnm++;
if ( (wholename[i]==-1) || (j<wholename[i]) ) {
- if (strcasecmp(chains[i][j],atnm) == 0)
+ if (gmx_strcasecmp(chains[i][j],atnm) == 0)
match=TRUE;
} else {
- if (strncasecmp(chains[i][j],atnm,strlen(chains[i][j])) == 0)
+ if (gmx_strncasecmp(chains[i][j],atnm,strlen(chains[i][j])) == 0)
match=TRUE;
}
}
for(;((atoms->atom[n].resind==resind) && (n<atoms->nr));n++) {
match=FALSE;
for(j=0;(j<sizes[i]); j++)
- if (strcasecmp(chains[i][j],*atoms->atomname[n]) == 0)
+ if (gmx_strcasecmp(chains[i][j],*atoms->atomname[n]) == 0)
match=TRUE;
if (match != complement[i])
aid[nra++]=n;
/* first look for whole name match */
if (aa==NOTSET)
for(i=0; i<ngrps; i++)
- if (strcasecmp_min(s,grpname[i])==0) {
+ if (gmx_strcasecmp_min(s,grpname[i])==0) {
if(aa!=NOTSET)
bMultiple = TRUE;
aa=i;
/* second look for first string match */
if (aa==NOTSET)
for(i=0; i<ngrps; i++)
- if (strncasecmp_min(s,grpname[i],n)==0) {
+ if (gmx_strncasecmp_min(s,grpname[i],n)==0) {
if(aa!=NOTSET)
bMultiple = TRUE;
aa=i;
strcpy(newtype, "ab+");
lmode = XDR_ENCODE;
}
- else if (strncasecmp(type, "r+", 2) == 0)
+ else if (gmx_strncasecmp(type, "r+", 2) == 0)
{
xdrmodes[xdrid] = 'a';
strcpy(newtype, "rb+");
parsestring(line,"y-label",(mm->label_y));
parsestring(line,"type",buf);
}
- if (buf[0] && (strcasecmp(buf,"Discrete")==0))
+ if (buf[0] && (gmx_strcasecmp(buf,"Discrete")==0))
mm->bDiscrete=TRUE;
if (debug)
for(j=0; (j<NPP); j++)
thisff[j]=-1;
- if (strcasecmp(cai,"C") == 0) {
+ if (gmx_strcasecmp(cai,"C") == 0) {
/* May be a Phi angle */
- if ((strcasecmp(caj,"N") == 0) &&
- (strcasecmp(cak,"CA") == 0) &&
- (strcasecmp(cal,"C") == 0))
+ if ((gmx_strcasecmp(caj,"N") == 0) &&
+ (gmx_strcasecmp(cak,"CA") == 0) &&
+ (gmx_strcasecmp(cal,"C") == 0))
thisff[0]=ai,thisff[1]=aj,thisff[2]=ak,thisff[3]=al;
}
- else if (strcasecmp(cai,"N") == 0) {
+ else if (gmx_strcasecmp(cai,"N") == 0) {
/* May be a Psi angle */
- if ((strcasecmp(caj,"CA") == 0) &&
- (strcasecmp(cak,"C") == 0) &&
- (strcasecmp(cal,"N") == 0))
+ if ((gmx_strcasecmp(caj,"CA") == 0) &&
+ (gmx_strcasecmp(cak,"C") == 0) &&
+ (gmx_strcasecmp(cal,"N") == 0))
thisff[1]=ai,thisff[2]=aj,thisff[3]=ak,thisff[4]=al;
}
if (thisff[1] != -1) {
for(k=1; (pa[j].u.c[k] != NULL); k++)
/* only check ptr against beginning of
pa[j].u.c[k] */
- if (strncasecmp(ptr,pa[j].u.c[k],strlen(ptr)) == 0)
+ if (gmx_strncasecmp(ptr,pa[j].u.c[k],strlen(ptr)) == 0)
if ( ( match == NOTSET ) ||
( strlen(pa[j].u.c[k]) <
strlen(pa[j].u.c[match]) ) )
"%-6s%5u %-4.4s %3.3s %c%4d%c %10.5f%10.5f%10.5f%8.4f%8.4f %2s\n");
else {
/* Check whether atomname is an element name */
- if ((strlen(nm)<4) && (strcasecmp(nm,atoms->atom[i].elem) != 0))
+ if ((strlen(nm)<4) && (gmx_strcasecmp(nm,atoms->atom[i].elem) != 0))
strcpy(pdbform,pdbformat);
else {
strcpy(pdbform,pdbformat4);
int found_index;
/* first check whether we hit the 'multiple_entries' option */
- if (strcasecmp_min(eMultentOpt_names[eMultentOptName], lbuf)==0)
+ if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptName], lbuf)==0)
{
/* we now check whether to allow overrides from here or not */
- if (strcasecmp_min(eMultentOpt_names[eMultentOptNo], rbuf)==0)
+ if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptNo], rbuf)==0)
{
allow_override=FALSE;
}
- else if (strcasecmp_min(eMultentOpt_names[eMultentOptLast], rbuf)==0)
+ else if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptLast], rbuf)==0)
{
allow_override=TRUE;
}
int i;
for(i=0; (i<ninp); i++) {
- if (strcasecmp_min(old_entry,inp[i].name) == 0) {
+ if (gmx_strcasecmp_min(old_entry,inp[i].name) == 0) {
if (new_entry) {
fprintf(stderr,"Replacing old mdp entry '%s' by '%s'\n",
inp[i].name,new_entry);
if (inp==NULL)
return -1;
for(i=0; i<ninp; i++)
- if (strcasecmp_min(name,inp[i].name) == 0)
+ if (gmx_strcasecmp_min(name,inp[i].name) == 0)
return i;
return -1;
}
/* if (inp==NULL)
return -1;
for(i=0; (i<(*ninp)); i++)
- if (strcasecmp_min(name,(*inp)[i].name) == 0)
+ if (gmx_strcasecmp_min(name,(*inp)[i].name) == 0)
break;
if (i == (*ninp)) {*/
i=search_einp(*ninp, *inp, name);
}
for(i=0; (defs[i] != NULL); i++)
- if (strcasecmp_min(defs[i],(*inp)[ii].value) == 0)
+ if (gmx_strcasecmp_min(defs[i],(*inp)[ii].value) == 0)
break;
if (defs[i] == NULL) {
/* Linear search */
for(i=0; (i<nstr); i++)
- if (strcasecmp(str[i],key)==0)
+ if (gmx_strcasecmp(str[i],key)==0)
return i;
return -1;
fprintf (out,"%c\n",COMMENTSIGN);
}
-int strcasecmp_min(const char *str1, const char *str2)
+int gmx_strcasecmp_min(const char *str1, const char *str2)
{
char ch1,ch2;
return 0;
}
-int strncasecmp_min(const char *str1, const char *str2, int n)
+int gmx_strncasecmp_min(const char *str1, const char *str2, int n)
{
char ch1,ch2;
char *stri1, *stri2;
do {
gmx_fio_do_string(fio,buf);
- } while ((strcasecmp(buf,itemstr[key]) != 0));
+ } while ((gmx_strcasecmp(buf,itemstr[key]) != 0));
- if (strcasecmp(buf,itemstr[key]) != 0)
+ if (gmx_strcasecmp(buf,itemstr[key]) != 0)
gmx_fatal(FARGS,"\nCould not find section heading %s",itemstr[key]);
else if (gmx_fio_getdebug(fio))
fprintf(stderr," and found it\n");
links->nsr=n;
snew(links->sr,n);
for(i=0,j=0; (i<n); i++) {
- if (!program || (strcasecmp(program,filestr[i]) != 0)) {
+ if (!program || (gmx_strcasecmp(program,filestr[i]) != 0)) {
links->sr[j].search=strdup(filestr[i]);
if (bWiki)
sprintf(buf,"[[%s]]",filestr[i]);
/* Check for special symbol */
i = 0;
while (sym[i] != NULL &&
- strncasecmp(sym[i],gmx+g,strlen(sym[i])) != 0)
+ gmx_strncasecmp(sym[i],gmx+g,strlen(sym[i])) != 0)
{
i++;
}
}
for(j=0; (j<rtp->natom); j++) {
rtpname=*(rtp->atomname[j]);
- if (strcasecmp(searchname,rtpname) == 0) {
+ if (gmx_strcasecmp(searchname,rtpname) == 0) {
jmax=j;
kmax=strlen(searchname);
break;
for(i=0; (i<nnm); i++) {
for(j=0; (j<nmt[i].nbonds); j++) {
- if ((((strncasecmp(ai,nmt[i].elem,1) == 0) &&
- (strncasecmp(aj,nmt[i].bond[j],1) == 0)) ||
- ((strncasecmp(ai,nmt[i].bond[j],1) == 0) &&
- (strncasecmp(aj,nmt[i].elem,1) == 0))) &&
+ if ((((gmx_strncasecmp(ai,nmt[i].elem,1) == 0) &&
+ (gmx_strncasecmp(aj,nmt[i].bond[j],1) == 0)) ||
+ ((gmx_strncasecmp(ai,nmt[i].bond[j],1) == 0) &&
+ (gmx_strncasecmp(aj,nmt[i].elem,1) == 0))) &&
(fabs(blen-nmt[i].blen[j]) <= 0.1*nmt[i].blen[j]))
return TRUE;
}
res=-1;
for(i=0; (i<eoNR); i++)
- if (strcasecmp(s,eoNames[i]) == 0) {
+ if (gmx_strcasecmp(s,eoNames[i]) == 0) {
res=i;
fprintf(stderr,"Coupling to observable %d (%s)\n",res,eoNames[res]);
break;
for(i=0; (i<ninp); i++) {
bWrong=FALSE;
- if (strcasecmp(inp[i].name,"LJ") == 0)
+ if (gmx_strcasecmp(inp[i].name,"LJ") == 0)
bWrong=add_lj(&nLJ,&(tcr->tcLJ),inp[i].value,tcr->bObsUsed);
- else if (strcasecmp(inp[i].name,"BU") == 0)
+ else if (gmx_strcasecmp(inp[i].name,"BU") == 0)
bWrong=add_bu(&nBU,&(tcr->tcBU),inp[i].value,tcr->bObsUsed);
- else if (strcasecmp(inp[i].name,"Q") == 0)
+ else if (gmx_strcasecmp(inp[i].name,"Q") == 0)
bWrong=add_q(&nQ,&(tcr->tcQ),inp[i].value,tcr->bObsUsed);
- else if (strcasecmp(inp[i].name,"Bonds") == 0)
+ else if (gmx_strcasecmp(inp[i].name,"Bonds") == 0)
bWrong=add_ip(&nIP,&(tcr->tIP),inp[i].value,F_BONDS,tcr->bObsUsed);
if (bWrong)
index=-1;
for(i=0;i<DDB_DIR_NR && index<0;i++)
- if(!strcasecmp(name,ddb_dirnames[i]))
+ if(!gmx_strcasecmp(name,ddb_dirnames[i]))
index=i;
return index;
(*ch) = 0;
trim (dirstr);
- if(!strcasecmp(dirstr,"HID"))
+ if(!gmx_strcasecmp(dirstr,"HID"))
sprintf(dirstr,"HISA");
- else if(!strcasecmp(dirstr,"HIE"))
+ else if(!gmx_strcasecmp(dirstr,"HIE"))
sprintf(dirstr,"HISB");
- else if(!strcasecmp(dirstr,"HIP"))
+ else if(!gmx_strcasecmp(dirstr,"HIP"))
sprintf(dirstr,"HISH");
curdir=ddb_name2dir(dirstr);
case DDB_NH3:
case DDB_NH2:
n = sscanf(pline,"%s%s%s",s1,s2,s3);
- if(n<3 && !strcasecmp(s2,"planar")) {
+ if(n<3 && !gmx_strcasecmp(s2,"planar")) {
srenew(vsiteconflist,nvsite+1);
strncpy(vsiteconflist[nvsite].atomtype,s1,MAXNAME-1);
vsiteconflist[nvsite].isplanar=TRUE;
case DDB_HISB:
case DDB_HISH:
i=0;
- while((i<ntop) && strcasecmp(dirstr,vsitetoplist[i].resname))
+ while((i<ntop) && gmx_strcasecmp(dirstr,vsitetoplist[i].resname))
i++;
/* Allocate a new topology entry if this is a new residue */
if(i==ntop) {
int i,res;
bool found=FALSE;
for(i=0;i<nvsiteconf && !found;i++) {
- found=(!strcasecmp(vsiteconflist[i].atomtype,atomtype) && (vsiteconflist[i].nhydrogens==2));
+ found=(!gmx_strcasecmp(vsiteconflist[i].atomtype,atomtype) && (vsiteconflist[i].nhydrogens==2));
}
if(found)
res=(vsiteconflist[i-1].isplanar==TRUE);
int i;
bool found=FALSE;
for(i=0;i<nvsiteconf && !found;i++) {
- found=(!strcasecmp(vsiteconflist[i].atomtype,atom) &&
- !strcasecmp(vsiteconflist[i].nextheavytype,nextheavy));
+ found=(!gmx_strcasecmp(vsiteconflist[i].atomtype,atom) &&
+ !gmx_strcasecmp(vsiteconflist[i].nextheavytype,nextheavy));
}
if(found)
return vsiteconflist[i-1].dummymass;
int i,j;
i=0;
- while(i<nvsitetop && strcasecmp(res,vsitetop[i].resname))
+ while(i<nvsitetop && gmx_strcasecmp(res,vsitetop[i].resname))
i++;
if(i==nvsitetop)
gmx_fatal(FARGS,"No vsite information for residue %s found in vsite database.\n",res);
int i,j;
i=0;
- while(i<nvsitetop && strcasecmp(res,vsitetop[i].resname))
+ while(i<nvsitetop && gmx_strcasecmp(res,vsitetop[i].resname))
i++;
if(i==nvsitetop)
gmx_fatal(FARGS,"No vsite information for residue %s found in vsite database.\n",res);
cmplength = bPartial[j] ? strlen(resnm)-1 : strlen(resnm);
- bFound = ((strncasecmp(resnm,resnms[j], cmplength)==0) ||
- (strncasecmp(resnm,resnmsN[j],cmplength)==0) ||
- (strncasecmp(resnm,resnmsC[j],cmplength)==0));
+ bFound = ((gmx_strncasecmp(resnm,resnms[j], cmplength)==0) ||
+ (gmx_strncasecmp(resnm,resnmsN[j],cmplength)==0) ||
+ (gmx_strncasecmp(resnm,resnmsC[j],cmplength)==0));
if ( bFound ) {
whatres=j;
ats[k]=NOTSET;
for(m=i; m<at->nr && at->atom[m].resind==resind && ats[k]==NOTSET;m++)
{
- if (strcasecmp(*(at->atomname[m]),atnms[j][k])==0)
+ if (gmx_strcasecmp(*(at->atomname[m]),atnms[j][k])==0)
{
ats[k]=m;
nrfound++;
} else if ( /*(nrHatoms == 2) && (nrbonds == 2) && REMOVED this test
DvdS 19-01-04 */
- (strncasecmp(*at->atomname[Heavy],"OW",2)==0) ) {
+ (gmx_strncasecmp(*at->atomname[Heavy],"OW",2)==0) ) {
bAddVsiteParam=FALSE; /* this is water: skip these hydrogens */
if (bFirstWater) {
bFirstWater=FALSE;
int i;
for (i=0; (i<ga->nr); i++)
- if (strcasecmp(str,*(ga->atomname[i])) == 0)
+ if (gmx_strcasecmp(str,*(ga->atomname[i])) == 0)
return i;
return NOTSET;
ah=(t_hackblock *)a;
bh=(t_hackblock *)b;
- return strcasecmp(ah->name,bh->name);
+ return gmx_strcasecmp(ah->name,bh->name);
}
void print_ab(FILE *out,t_hack *hack,char *nname)
/* Now do the HIS stuff */
hisind=-1;
for(i=0; (i<natom); ) {
- if (strcasecmp(*pdba->resinfo[pdba->atom[i].resind].name,"HIS") != 0)
+ if (gmx_strcasecmp(*pdba->resinfo[pdba->atom[i].resind].name,"HIS") != 0)
i++;
else {
if (pdba->atom[i].resind != hisind) {
{
if (!atom || !template_string)
return ematchNone;
- else if (strcasecmp(atom,template_string) == 0)
+ else if (gmx_strcasecmp(atom,template_string) == 0)
return ematchExact;
else if (atom[0] == template_string[0])
return ematchElem;
int i;
i = 0;
- while (i < nrr && strcasecmp(name,rr[i].gmx) != 0) {
+ while (i < nrr && gmx_strcasecmp(name,rr[i].gmx) != 0) {
i++;
}
for(i=0; (i<pdba->nres); i++) {
resnm = *pdba->resinfo[i].name;
- if ((bFullCompare && (strcasecmp(resnm,oldnm) == 0)) ||
+ if ((bFullCompare && (gmx_strcasecmp(resnm,oldnm) == 0)) ||
(!bFullCompare && strstr(resnm,oldnm) != NULL)) {
pdba->resinfo[i].name = put_symtab(symtab,newnm);
}
for(i=0; (i<pdba->nres); i++) {
bbnm = *pdba->resinfo[i].rtp;
- if ((bFullCompare && (strcasecmp(bbnm,oldnm) == 0)) ||
+ if ((bFullCompare && (gmx_strcasecmp(bbnm,oldnm) == 0)) ||
(!bFullCompare && strstr(bbnm,oldnm) != NULL)) {
pdba->resinfo[i].rtp = put_symtab(symtab,newnm);
}
}
rptr = &restp[pdba->atom[i].resind];
for(j=0; (j<rptr->natom); j++) {
- if (strcasecmp(atomnm,*(rptr->atomname[j])) == 0) {
+ if (gmx_strcasecmp(atomnm,*(rptr->atomname[j])) == 0) {
break;
}
}
this_chainid = ri->chainid;
this_chainnumber = ri->chainnum;
- bWat = strcasecmp(*ri->name,watres) == 0;
+ bWat = gmx_strcasecmp(*ri->name,watres) == 0;
if ((i == 0) || (this_chainnumber != prev_chainnumber) || (bWat != bPrevWat))
{
this_chainstart = pdba_all.atom[i].resind;
bFound=FALSE;
for (k=i0; k<i; k++)
{
- bFound = (bFound || !strcasecmp(*(at->atomname[k]),name));
+ bFound = (bFound || !gmx_strcasecmp(*(at->atomname[k]),name));
}
if (!bFound)
{
{
if ((desc[i][0] == '[' && desc[j][0] != '[') ||
((desc[i][0] == '[' || desc[j][0] != '[') &&
- strcasecmp(desc[i],desc[j]) > 0))
+ gmx_strcasecmp(desc[i],desc[j]) > 0))
{
swap_strings(ffdirs,i,j);
swap_strings(ffs ,i,j);
{
*nr = 0;
- return (strcasecmp(anm,hack->nname) == 0);
+ return (gmx_strcasecmp(anm,hack->nname) == 0);
}
else
{
else
{
return (strlen(anm) == strlen(hack->nname) + 1 &&
- strncasecmp(anm,hack->nname,strlen(hack->nname)) == 0);
+ gmx_strncasecmp(anm,hack->nname,strlen(hack->nname)) == 0);
}
}
}
for(j=0; j<hbr->nhack; j++)
{
if (hbr->hack[j].oname != NULL && hbr->hack[j].nname != NULL &&
- strcasecmp(oldnm,hbr->hack[j].oname) == 0)
+ gmx_strcasecmp(oldnm,hbr->hack[j].oname) == 0)
{
/* This is a replace entry. */
/* Check if we are not replacing a replaced atom. */
for(k=0; k<hbr->nhack; k++) {
if (k != j &&
hbr->hack[k].oname != NULL && hbr->hack[k].nname != NULL &&
- strcasecmp(hbr->hack[k].nname,hbr->hack[j].oname) == 0)
+ gmx_strcasecmp(hbr->hack[k].nname,hbr->hack[j].oname) == 0)
{
/* The replace in hack[j] replaces an atom that
* was already replaced in hack[k], we do not want
newnm = hbr->hack[j].nname;
for(k=0; k<rptr->natom; k++)
{
- if (strcasecmp(newnm,*rptr->atomname[k]) == 0)
+ if (gmx_strcasecmp(newnm,*rptr->atomname[k]) == 0)
{
break;
}
}
for(start_nr=0; start_nr<rptr->natom; start_nr++)
{
- if (strcasecmp(start_at,(*rptr->atomname[start_nr])) == 0)
+ if (gmx_strcasecmp(start_at,(*rptr->atomname[start_nr])) == 0)
{
break;
}
*pdba->atomname[atind] = strdup(newnm);
}
else if (hbr->hack[j].oname != NULL && hbr->hack[j].nname == NULL &&
- strcasecmp(oldnm,hbr->hack[j].oname) == 0)
+ gmx_strcasecmp(oldnm,hbr->hack[j].oname) == 0)
{
/* This is a delete entry, check if this atom is present
* in the rtp entry of this residue.
*/
for(k=0; k<rptr->natom; k++)
{
- if (strcasecmp(oldnm,*rptr->atomname[k]) == 0)
+ if (gmx_strcasecmp(oldnm,*rptr->atomname[k]) == 0)
{
break;
}
rptr = &restp[pdba->atom[i].resind];
for(j=0; (j<rptr->natom); j++)
{
- if (strcasecmp(oldnm,*(rptr->atomname[j])) == 0)
+ if (gmx_strcasecmp(oldnm,*(rptr->atomname[j])) == 0)
{
break;
}
}
for(i=start; (i<natoms) && (bNext || (at[i].resind == resind)); i++) {
- if (anm[i] && strcasecmp(type,*(anm[i]))==0)
+ if (anm[i] && gmx_strcasecmp(type,*(anm[i]))==0)
return (atom_id) i;
}
if (!(bNext && at[start].resind==at[natoms-1].resind))
if (start > 0)
resind = at[start-1].resind;
for(i=start-1; (i>=0) /*&& (at[i].resind == resind)*/; i--)
- if (strcasecmp(type,*(anm[i]))==0)
+ if (gmx_strcasecmp(type,*(anm[i]))==0)
return (atom_id) i;
if (start > 0)
atom_not_found(FARGS,type,at[start].resind,bondtype,bDontQuit);
int i;
for(i=0; (i<ng); i++)
- if (strcasecmp(s,gn[i]) == 0)
+ if (gmx_strcasecmp(s,gn[i]) == 0)
return i;
gmx_fatal(FARGS,"this QM method or basisset (%s) is not implemented\n!",s);
int i;
for(i=0; (i<ng); i++)
- if (strcasecmp(s,gn[i]) == 0)
+ if (gmx_strcasecmp(s,gn[i]) == 0)
return i;
gmx_fatal(FARGS,"Group %s not found in indexfile.\nMaybe you have non-default goups in your mdp file, while not using the '-n' option of grompp.\nIn that case use the '-n' option.\n",s);
for(i=0; i<nelem/2; i++) {
j = 0;
while ((j < nr) &&
- strcasecmp(names[2*i],*(gnames[groups->grps[egcENER].nm_ind[j]])))
+ gmx_strcasecmp(names[2*i],*(gnames[groups->grps[egcENER].nm_ind[j]])))
j++;
if (j == nr)
gmx_fatal(FARGS,"%s in %s is not an energy group\n",
names[2*i],option);
k = 0;
while ((k < nr) &&
- strcasecmp(names[2*i+1],*(gnames[groups->grps[egcENER].nm_ind[k]])))
+ gmx_strcasecmp(names[2*i+1],*(gnames[groups->grps[egcENER].nm_ind[k]])))
k++;
if (k==nr)
gmx_fatal(FARGS,"%s in %s is not an energy group\n",
snew(ir->opts.nFreeze,nr);
for(i=k=0; (i<nfreeze); i++)
for(j=0; (j<DIM); j++,k++) {
- ir->opts.nFreeze[i][j]=(strncasecmp(ptr1[k],"Y",1)==0);
+ ir->opts.nFreeze[i][j]=(gmx_strncasecmp(ptr1[k],"Y",1)==0);
if (!ir->opts.nFreeze[i][j]) {
- if (strncasecmp(ptr1[k],"N",1) != 0) {
+ if (gmx_strncasecmp(ptr1[k],"N",1) != 0) {
sprintf(warnbuf,"Please use Y(ES) or N(O) for freezedim only "
"(not %s)", ptr1[k]);
warning(wi,warn_buf);
for(i=0;i<nr;i++){
ir->opts.QMmult[i] = strtol(ptr1[i],NULL,10);
ir->opts.QMcharge[i] = strtol(ptr2[i],NULL,10);
- ir->opts.bSH[i] = (strncasecmp(ptr3[i],"Y",1)==0);
+ ir->opts.bSH[i] = (gmx_strncasecmp(ptr3[i],"Y",1)==0);
}
nCASelec = str_nelem(CASelectrons,MAXPTR,ptr1);
snew(ir->opts.bOPT,nr);
snew(ir->opts.bTS,nr);
for(i=0;i<nr;i++){
- ir->opts.bOPT[i] = (strncasecmp(ptr1[i],"Y",1)==0);
- ir->opts.bTS[i] = (strncasecmp(ptr2[i],"Y",1)==0);
+ ir->opts.bOPT[i] = (gmx_strncasecmp(ptr1[i],"Y",1)==0);
+ ir->opts.bTS[i] = (gmx_strncasecmp(ptr2[i],"Y",1)==0);
}
nSAon = str_nelem(SAon,MAXPTR,ptr1);
nSAoff = str_nelem(SAoff,MAXPTR,ptr2);
gmx_fatal(FARGS,"Less than 3 pull dimensions given in pull_dim: '%s'",
pulldim);
- if (strncasecmp(pulldim1,"N",1) == 0) {
+ if (gmx_strncasecmp(pulldim1,"N",1) == 0) {
pull->dim[d] = 0;
- } else if (strncasecmp(pulldim1,"Y",1) == 0) {
+ } else if (gmx_strncasecmp(pulldim1,"Y",1) == 0) {
pull->dim[d] = 1;
i++;
} else {
/* check for double entries, assuming list is already sorted */
for(i=1; (i<nrtp); i++) {
- if (strcasecmp(rtp[i-1].resname,rtp[i].resname) == 0)
+ if (gmx_strcasecmp(rtp[i-1].resname,rtp[i].resname) == 0)
fprintf(stderr,"WARNING double entry %s in file %s\n",
rtp[i].resname,libfn);
}
ra=(t_restp *)a;
rb=(t_restp *)b;
- return strcasecmp(ra->resname,rb->resname);
+ return gmx_strcasecmp(ra->resname,rb->resname);
}
int get_bt(char* header)
int i;
for(i=0; i<ebtsNR; i++)
- if ( strcasecmp(btsNames[i],header)==0 )
+ if ( gmx_strcasecmp(btsNames[i],header)==0 )
return i;
return NOTSET;
}
get_a_line(in,line,STRLEN);
if (!get_header(line,header))
gmx_fatal(FARGS,"in .rtp file at line:\n%s\n",line);
- if (strncasecmp("bondedtypes",header,5)==0) {
+ if (gmx_strncasecmp("bondedtypes",header,5)==0) {
get_a_line(in,line,STRLEN);
if ((nparam=sscanf(line,"%d %d %d %d %d %d %d %d",
&bts[ebtsBONDS],&bts[ebtsANGLES],
if (bt != NOTSET) {
/* header is an bonded directive */
bError = !read_bondeds(bt,in,line,&rrtp[nrtp]);
- } else if (strncasecmp("atoms",header,5) == 0) {
+ } else if (gmx_strncasecmp("atoms",header,5) == 0) {
/* header is the atoms directive */
bError = !read_atoms(in,line,&(rrtp[nrtp]),tab,atype);
} else {
firstrtp = -1;
for(i=0; i<nrtp; i++) {
- if (strcasecmp(rrtp[i].resname,rrtp[nrtp].resname) == 0) {
+ if (gmx_strcasecmp(rrtp[i].resname,rrtp[nrtp].resname) == 0) {
firstrtp = i;
}
}
for(i=0; (i<nsb); i++) {
if (((strncmp(sb[i].res1,res,3) == 0) &&
- (strcasecmp(sb[i].atom1,atom) == 0)) ||
+ (gmx_strcasecmp(sb[i].atom1,atom) == 0)) ||
((strncmp(sb[i].res2,res,3) == 0) &&
- (strcasecmp(sb[i].atom2,atom) == 0)))
+ (gmx_strcasecmp(sb[i].atom2,atom) == 0)))
return TRUE;
}
return FALSE;
for(i=0; (i<nsb); i++) {
*index_sb = i;
if (((strncmp(sb[i].res1,res1,3) == 0) &&
- (strcasecmp(sb[i].atom1,at1) == 0) &&
+ (gmx_strcasecmp(sb[i].atom1,at1) == 0) &&
(strncmp(sb[i].res2,res2,3) == 0) &&
- (strcasecmp(sb[i].atom2,at2) == 0))) {
+ (gmx_strcasecmp(sb[i].atom2,at2) == 0))) {
*bSwap = FALSE;
if ((0.9*sb[i].length < d) && (1.1*sb[i].length > d)) {
if (debug) fprintf(stderr,"%g\n", sb[i].length);
}
}
if (((strncmp(sb[i].res1,res2,3) == 0) &&
- (strcasecmp(sb[i].atom1,at2) == 0) &&
+ (gmx_strcasecmp(sb[i].atom1,at2) == 0) &&
(strncmp(sb[i].res2,res1,3) == 0) &&
- (strcasecmp(sb[i].atom2,at1) == 0))) {
+ (gmx_strcasecmp(sb[i].atom2,at1) == 0))) {
*bSwap = TRUE;
if ((0.9*sb[i].length < d) && (1.1*sb[i].length > d)) {
if (debug) fprintf(stderr,"%g\n", sb[i].length);
*pdba->atomname[i]) &&
!(nspec > 0 &&
pdba->atom[sgp[nspec-1]].resind == pdba->atom[i].resind &&
- strcasecmp(*pdba->atomname[sgp[nspec-1]],
+ gmx_strcasecmp(*pdba->atomname[sgp[nspec-1]],
*pdba->atomname[i]) == 0)) {
specp[nspec] = pdba->atom[i].resind;
sgp[nspec] = i;
int i;
for(i=0; i<ebtsNR; i++)
- if (strcasecmp(btsNames[i],keyw) == 0)
+ if (gmx_strcasecmp(btsNames[i],keyw) == 0)
return i;
for(i=0; i<ekwNR; i++)
- if (strcasecmp(kw_names[i],keyw) == 0)
+ if (gmx_strcasecmp(kw_names[i],keyw) == 0)
return ebtsNR + 1 + i;
return NOTSET;
* This makes termini selection for different molecule types
* much cleaner.
*/
- if (strcasecmp(restp->filebase,tb[i].filebase) == 0 &&
- strncasecmp(resname,s,3) == 0)
+ if (gmx_strcasecmp(restp->filebase,tb[i].filebase) == 0 &&
+ gmx_strncasecmp(resname,s,3) == 0)
{
found=TRUE;
srenew(list,n+1);
* This makes termini selection for different molecule types
* much cleaner.
*/
- if(strcasecmp(restp->filebase,tb[i].filebase) == 0)
+ if(gmx_strcasecmp(restp->filebase,tb[i].filebase) == 0)
{
- if(!strcasecmp("None",s))
+ if(!gmx_strcasecmp("None",s))
{
none_idx=i;
}
/* Do a best match search for dissociation energies */
for(i=0; (i<n2m); i++) {
/* Check for a perfect match */
- if (((strcasecmp(t2m[i].ai,ai) == 0) && (strcasecmp(t2m[i].aj,aj) == 0)) ||
- ((strcasecmp(t2m[i].aj,ai) == 0) && (strcasecmp(t2m[i].ai,aj) == 0))) {
+ if (((gmx_strcasecmp(t2m[i].ai,ai) == 0) && (gmx_strcasecmp(t2m[i].aj,aj) == 0)) ||
+ ((gmx_strcasecmp(t2m[i].aj,ai) == 0) && (gmx_strcasecmp(t2m[i].ai,aj) == 0))) {
ibest = i;
break;
}
char buf[STRLEN],*ptr;
/* Hack to be able to read old topologies */
- if (strncasecmp_min(dstr,"dummies",7) == 0) {
+ if (gmx_strncasecmp_min(dstr,"dummies",7) == 0) {
sprintf(buf,"virtual_sites%s",dstr+7);
ptr = buf;
} else {
}
for (d=0; (d<d_maxdir); d++)
- if (strcasecmp_min(ptr,dir2str((directive)d)) == 0)
+ if (gmx_strcasecmp_min(ptr,dir2str((directive)d)) == 0)
return (directive)d;
return d_invalid;
*nb = -1;
for(i=1; (i<eNBF_NR); i++)
- if (strcasecmp(nb_str,enbf_names[i]) == 0)
+ if (gmx_strcasecmp(nb_str,enbf_names[i]) == 0)
*nb = i;
if (*nb == -1)
*nb = strtol(nb_str,NULL,10);
}
*comb = -1;
for(i=1; (i<eCOMB_NR); i++)
- if (strcasecmp(comb_str,ecomb_names[i]) == 0)
+ if (gmx_strcasecmp(comb_str,ecomb_names[i]) == 0)
*comb = i;
if (*comb == -1)
*comb = strtol(comb_str,NULL,10);
get_nbparm(nb_str,comb_str,&nb_funct,&comb,wi);
*combination_rule = comb;
if (nscan >= 3) {
- bGenPairs = (strncasecmp(genpairs,"Y",1) == 0);
+ bGenPairs = (gmx_strncasecmp(genpairs,"Y",1) == 0);
if (nb_funct != eNBF_LJ && bGenPairs) {
gmx_fatal(FARGS,"Generating pair parameters is only supported with LJ non-bonded interactions");
}
nmolb++;
bCouple = (opts->couple_moltype != NULL &&
- (strcasecmp("system" ,opts->couple_moltype) == 0 ||
- strcasecmp(*(mi0->name),opts->couple_moltype) == 0));
+ (gmx_strcasecmp("system" ,opts->couple_moltype) == 0 ||
+ gmx_strcasecmp(*(mi0->name),opts->couple_moltype) == 0));
if (bCouple) {
nmol_couple += nrcopies;
}
gmx_fatal(FARGS,"Bond atom type names can't be single digits.");
/* Hack to read old topologies */
- if (strcasecmp(ptype,"D") == 0)
+ if (gmx_strcasecmp(ptype,"D") == 0)
sprintf(ptype,"V");
for(j=0; (j<eptNR); j++)
- if (strcasecmp(ptype,xl[j].entry) == 0)
+ if (gmx_strcasecmp(ptype,xl[j].entry) == 0)
break;
if (j == eptNR)
gmx_fatal(FARGS,"Invalid particle type %s on line %s",
/* Test if this atomtype overwrites another */
i = 0;
while (i < *nmol) {
- if (strcasecmp(*((*mol)[i].name),type) == 0)
+ if (gmx_strcasecmp(*((*mol)[i].name),type) == 0)
gmx_fatal(FARGS,"moleculetype %s is redefined",type);
i++;
}
}
/* search moleculename */
- for (i=0; ((i<nrmols) && strcasecmp(type,*(mols[i].name))); i++)
+ for (i=0; ((i<nrmols) && gmx_strcasecmp(type,*(mols[i].name))); i++)
;
if (i<nrmols) {
fprintf(debug,"\n");
}
bXH3 =
- ( (strncasecmp(get_atomtype_name(at->atom[param->AK].type,atype),"MNH",3)==0) &&
- (strncasecmp(get_atomtype_name(at->atom[param->AL].type,atype),"MNH",3)==0) ) ||
- ( (strncasecmp(get_atomtype_name(at->atom[param->AK].type,atype),"MCH3",4)==0) &&
- (strncasecmp(get_atomtype_name(at->atom[param->AL].type,atype),"MCH3",4)==0) );
+ ( (gmx_strncasecmp(get_atomtype_name(at->atom[param->AK].type,atype),"MNH",3)==0) &&
+ (gmx_strncasecmp(get_atomtype_name(at->atom[param->AL].type,atype),"MNH",3)==0) ) ||
+ ( (gmx_strncasecmp(get_atomtype_name(at->atom[param->AK].type,atype),"MCH3",4)==0) &&
+ (gmx_strncasecmp(get_atomtype_name(at->atom[param->AL].type,atype),"MCH3",4)==0) );
bjk = get_bond_length(nrbond, bonds, param->AJ, param->AK);
bjl = get_bond_length(nrbond, bonds, param->AJ, param->AL);
fprintf(debug,"\n");
}
bXH3 =
- ( (strncasecmp(get_atomtype_name(at->atom[param->AK].type,atype),"MNH",3)==0) &&
- (strncasecmp(get_atomtype_name(at->atom[param->AL].type,atype),"MNH",3)==0) ) ||
- ( (strncasecmp(get_atomtype_name(at->atom[param->AK].type,atype),"MCH3",4)==0) &&
- (strncasecmp(get_atomtype_name(at->atom[param->AL].type,atype),"MCH3",4)==0) );
+ ( (gmx_strncasecmp(get_atomtype_name(at->atom[param->AK].type,atype),"MNH",3)==0) &&
+ (gmx_strncasecmp(get_atomtype_name(at->atom[param->AL].type,atype),"MNH",3)==0) ) ||
+ ( (gmx_strncasecmp(get_atomtype_name(at->atom[param->AK].type,atype),"MCH3",4)==0) &&
+ (gmx_strncasecmp(get_atomtype_name(at->atom[param->AL].type,atype),"MCH3",4)==0) );
/* check if construction parity must be swapped */
bSwapParity = ( param->C1 == -1 );
for(i=0; (i<nxlate) && !bRenamed; i++) {
/* Check if the base file name of the rtp and arn entry match */
if (restp == NULL ||
- strcasecmp(restp[resind].filebase,xlatom[i].filebase) == 0)
+ gmx_strcasecmp(restp[resind].filebase,xlatom[i].filebase) == 0)
{
/* Match the residue name */
bMatch = (xlatom[i].res == NULL ||
- (strcasecmp("protein",xlatom[i].res) == 0 &&
+ (gmx_strcasecmp("protein",xlatom[i].res) == 0 &&
gmx_residuetype_is_protein(rt,rnm)) ||
- (strcasecmp("DNA",xlatom[i].res) == 0 &&
+ (gmx_strcasecmp("DNA",xlatom[i].res) == 0 &&
gmx_residuetype_is_dna(rt,rnm)) ||
- (strcasecmp("RNA",xlatom[i].res) == 0 &&
+ (gmx_strcasecmp("RNA",xlatom[i].res) == 0 &&
gmx_residuetype_is_rna(rt,rnm)));
if (!bMatch)
{
attrname = (char *)attr->name;
attrval = (char *)attr->children->content;
-#define atest(s) ((strcasecmp(attrname,s) == 0) && (attrval != NULL))
+#define atest(s) ((gmx_strcasecmp(attrname,s) == 0) && (attrval != NULL))
kkk = find_elem(attrname,exmlNR,exml_names);
if (attrval != NULL)
xbuf[kkk] = strdup(attrval);
hide_mb(gmx);
if (dlg_mess==DLG_EXIT) {
- if (strcasecmp("yes",set)==0)
+ if (gmx_strcasecmp("yes",set)==0)
write_gmx(x11,gmx,IDTERM);
}
}
#endif
break;
case DLG_EXIT:
- if ((bOk=(strcasecmp("ok",set))==0))
+ if ((bOk=(gmx_strcasecmp("ok",set))==0))
strcpy(gmx->confout,EditText(dlg,eExConf));
HideDlg(dlg);
if (bOk)
}
break;
case DLG_EXIT:
- bOk=(strcasecmp("ok",set)==0);
+ bOk=(gmx_strcasecmp("ok",set)==0);
HideDlg(gmx->dlgs[edBonds]);
if (bOk) {
if (bBond) {
fprintf(dlg->x11->console,"buffer: '%s'\n",buf);
dlg->x11->Flush(dlg->x11);
#endif
- if (strcasecmp(buf,"nok")==0) {
+ if (gmx_strcasecmp(buf,"nok")==0) {
/* An error occurred */
for(i=0; (i<nlines); i++)
sfree(lines[i]);
return;
}
else {
- bCont=(strcasecmp(buf,"ok") != 0);
+ bCont=(gmx_strcasecmp(buf,"ok") != 0);
if (bCont) {
srenew(lines,++nlines);
lines[nlines-1]=strdup(buf);
-
/*
*
* This source code is part of
strcpy(buf2,fitem->name[i]);
buf2[strlen(buf)]='\0'; /* truncate itemname */
- if (strcasecmp(buf2,buf)==0)
+ if (gmx_strcasecmp(buf2,buf)==0)
iSel=i;
}
case edlgCB: {
bool bCheck;
- bCheck=strcasecmp(fitem->def,"TRUE")==0;
+ bCheck=gmx_strcasecmp(fitem->def,"TRUE")==0;
AddListItem(list,CreateCheckBox(x11,fitem->name[0],bCheck,
(*ID)++,GroupID,x,(*y),0,0,0));
break;
dlg=data->appl;
fprintf(stderr,"item_id: %d (%s)\n",item_id,set);
- if (strcasecmp(set,"OK") == 0) {
+ if (gmx_strcasecmp(set,"OK") == 0) {
/* Doit */
sprintf(doit,
"xterm -geometry +100+100 -n %s"
HideDlg(data->appl);
}
- else if (strcasecmp(set,"Cancel") == 0) {
+ else if (gmx_strcasecmp(set,"Cancel") == 0) {
data->nAppl = -1;
HideDlg(data->appl);
}
if ((atm.minC != -1) && (atm.minO != -1))
nc[6]++;
for(k=0; (k<naa); k++) {
- if (strcasecmp(aa[k],thisres) == 0)
+ if (gmx_strcasecmp(aa[k],thisres) == 0)
break;
}
dl[nl].index=k;
" ignoring option -cl %s\n", trx_out_fn);
method=1;
- while ( method < m_nr && strcasecmp(methodname[0], methodname[method])!=0 )
+ while ( method < m_nr && gmx_strcasecmp(methodname[0], methodname[method])!=0 )
method++;
if (method == m_nr)
gmx_fatal(FARGS,"Invalid method");
while( (n<keylen) && ((key[n]<'0') || (key[n]>'9')) )
n++;
for(i=0; (i<nstr); i++)
- if (strncasecmp(str[i],key,n)==0)
+ if (gmx_strncasecmp(str[i],key,n)==0)
return i;
return -1;
i = strlen(ptr);
nmatch = 0;
for(nind=0; nind<nre; nind++) {
- if (strcasecmp(newnm[nind],ptr) == 0) {
+ if (gmx_strcasecmp(newnm[nind],ptr) == 0) {
bE[nind] = TRUE;
nmatch++;
}
i = strlen(ptr);
nmatch = 0;
for(nind=0; nind<nre; nind++) {
- if (strncasecmp(newnm[nind],ptr,i) == 0) {
+ if (gmx_strncasecmp(newnm[nind],ptr,i) == 0) {
bE[nind] = TRUE;
nmatch++;
}
sum=0;
beta = 1.0/(BOLTZ*reftemp);
for(i=0; i<nset; i++) {
- if (strcasecmp(leg[i],enm[set[i]].name)!=0)
+ if (gmx_strcasecmp(leg[i],enm[set[i]].name)!=0)
fprintf(stderr,"\nWARNING energy set name mismatch %s!=%s\n",
leg[i],enm[set[i]].name);
for(j=0; j<nenergy; j++) {
}
}
if (i == nre) {
- if (strcasecmp(setnm[j],"Volume")==0) {
+ if (gmx_strcasecmp(setnm[j],"Volume")==0) {
printf("Enter the box volume (" unit_volume "): ");
if(1 != scanf("%lf",&dbl))
{
bIsEner[i] = FALSE;
for (j=0; (j <= F_ETOT); j++)
bIsEner[i] = bIsEner[i] ||
- (strcasecmp(interaction_function[j].longname,leg[i]) == 0);
+ (gmx_strcasecmp(interaction_function[j].longname,leg[i]) == 0);
}
if (bPrAll && nset > 1) {
buf2[strlen(buf2)-1]='\0';
ltrim(buf2);
rtrim(buf2);
- bSystem=(strcasecmp(buf2,"system")==0);
- bMolecules=(strcasecmp(buf2,"molecules")==0);
+ bSystem=(gmx_strcasecmp(buf2,"system")==0);
+ bMolecules=(gmx_strcasecmp(buf2,"molecules")==0);
}
} else if (bSystem && nsol && (buf[0]!=';') ) {
/* if sol present, append "in water" to system name */
buf2[strlen(buf2)-1]='\0';
ltrim(buf2);
rtrim(buf2);
- bMolecules=(strcasecmp(buf2,"molecules")==0);
+ bMolecules=(gmx_strcasecmp(buf2,"molecules")==0);
}
fprintf(fpout,"%s",buf);
} else if (!bMolecules) {
} else {
/* Check if this is a line with solvent molecules */
sscanf(buf,"%s",buf2);
- if (strcasecmp(buf2,grpname) == 0) {
+ if (gmx_strcasecmp(buf2,grpname) == 0) {
sol_line = nmol_line;
sscanf(buf,"%*s %d",&nsol_last);
}
/* NN-loop? If so, what estimator to use ?*/
NN = 1;
/* Outcommented for now DvdS 2010-07-13
- while (NN < NN_NR && strcasecmp(NNtype[0], NNtype[NN])!=0)
+ while (NN < NN_NR && gmx_strcasecmp(NNtype[0], NNtype[NN])!=0)
NN++;
if (NN == NN_NR)
gmx_fatal(FARGS, "Invalid NN-loop type.");
/* geminate recombination? If so, which flavor? */
gemmode = 1;
- while (gemmode < gemNR && strcasecmp(gemType[0], gemType[gemmode])!=0)
+ while (gemmode < gemNR && gmx_strcasecmp(gemType[0], gemType[gemmode])!=0)
gemmode++;
if (gemmode == gemNR)
gmx_fatal(FARGS, "Invalid recombination type.");
int i;
for(i=0; (i<ng); i++)
- if (strcasecmp(s,*gn[i]) == 0)
+ if (gmx_strcasecmp(s,*gn[i]) == 0)
return i;
gmx_fatal(FARGS,"Group %s not found in indexfile.\nMaybe you have non-default groups in your mdp file, while not using the '-n' option of grompp.\nIn that case use the '-n' option.\n",s);
buf2[strlen(buf2)-1]='\0';
ltrim(buf2);
rtrim(buf2);
- if (strcasecmp(buf2,"molecules")==0)
+ if (gmx_strcasecmp(buf2,"molecules")==0)
bMolecules=1;
}
fprintf(fpout,"%s",buf);
default:
/* Compare a single character */
if (( bCase && strncmp(name,search,1)) ||
- (!bCase && strncasecmp(name,search,1))) {
+ (!bCase && gmx_strncasecmp(name,search,1))) {
return FALSE;
}
}