static char *search_resrename(int nrr, rtprename_t *rr,
const char *name,
- gmx_bool bStart, gmx_bool bEnd,
- gmx_bool bCompareFFRTPname)
+ bool bStart, bool bEnd,
+ bool bCompareFFRTPname)
{
char *nn;
int i;
gmx_bool bVerbose)
{
int r, j;
- gmx_bool bStart, bEnd;
+ bool bStart, bEnd;
char *nn;
- gmx_bool bFFRTPTERRNM;
+ bool bFFRTPTERRNM;
bFFRTPTERRNM = (getenv("GMX_NO_FFRTP_TER_RENAME") == nullptr);
for (r = 0; r < pdba->nres; r++)
{
- bStart = FALSE;
- bEnd = FALSE;
+ bStart = false;
+ bEnd = false;
for (j = 0; j < nterpairs; j++)
{
if (r == r_start[j])
{
if (r == r_end[j])
{
- bEnd = TRUE;
+ bEnd = true;
}
}
}
static void rename_pdbres(t_atoms *pdba, const char *oldnm, const char *newnm,
- gmx_bool bFullCompare, t_symtab *symtab)
+ bool bFullCompare, t_symtab *symtab)
{
char *resnm;
int i;
}
static void rename_bb(t_atoms *pdba, const char *oldnm, const char *newnm,
- gmx_bool bFullCompare, t_symtab *symtab)
+ bool bFullCompare, t_symtab *symtab)
{
char *bbnm;
int i;
static void rename_bbint(t_atoms *pdba, const char *oldnm,
const char *gettp(int, int, const rtprename_t *),
- gmx_bool bFullCompare,
+ bool bFullCompare,
t_symtab *symtab,
int nrr, const rtprename_t *rr)
{
typedef struct {
- char chainid;
- char chainnum;
- int start;
- int natom;
- gmx_bool bAllWat;
- int nterpairs;
- int *chainstart;
+ char chainid;
+ char chainnum;
+ int start;
+ int natom;
+ bool bAllWat;
+ int nterpairs;
+ int *chainstart;
} t_pdbchain;
typedef struct {
char chainid;
int chainnum;
- gmx_bool bAllWat;
+ bool bAllWat;
int nterpairs;
int *chainstart;
t_hackblock **ntdb;
int nssbonds;
t_ssbond *ssbonds;
rvec *pdbx, *x;
- gmx_bool bVsites = FALSE, bWat, bPrevWat = FALSE, bITP, bVsiteAromatics = FALSE;
+ bool bVsites = FALSE, bWat, bPrevWat = FALSE, bITP, bVsiteAromatics = FALSE;
real mHmult = 0;
t_hackblock *hb_chain;
t_restp *restp_chain;
int nid_used;
int this_chainstart;
int prev_chainstart;
- gmx_bool bMerged;
+ bool bMerged;
int nchainmerges;
gmx_atomprop_t aps;
maxch = 16;
snew(pdb_ch, maxch);
- bMerged = FALSE;
+ bMerged = false;
for (i = 0; (i < natom); i++)
{
ri = &pdba_all.resinfo[pdba_all.atom[i].resind];
if ((i == 0) || (this_chainnumber != prev_chainnumber) || (bWat != bPrevWat))
{
this_chainstart = pdba_all.atom[i].resind;
- bMerged = FALSE;
+ bMerged = false;
if (i > 0 && !bWat)
{
if (!strncmp(merge[0], "int", 3))
}
else if (!strncmp(merge[0], "all", 3))
{
- bMerged = TRUE;
+ bMerged = true;
}
}