}
static int pdbasearch_atom(const char *name, int resind, t_atoms *pdba,
- const char *searchtype, gmx_bool bAllowMissing)
+ const char *searchtype, bool bAllowMissing)
{
int i;
}
-static void dump_ab(FILE *out, int natom, const int nab[], t_hack *ab[], gmx_bool bHeader)
+static void dump_ab(FILE *out, int natom, const int nab[], t_hack *ab[], bool bHeader)
{
int i, j;
}
static void expand_hackblocks_one(t_hackblock *hbr, char *atomname,
- int *nabi, t_hack **abi, gmx_bool bN, gmx_bool bC)
+ int *nabi, t_hack **abi, bool bN, bool bC)
{
int j, k, l;
- gmx_bool bIgnore;
+ bool bIgnore;
/* we'll recursively add atoms to atoms */
for (j = 0; j < hbr->nhack; j++)
int nterpairs, const int *rN, const int *rC)
{
int i, j;
- gmx_bool bN, bC;
+ bool bN, bC;
for (i = 0; i < pdba->nr; i++)
{
}
static void calc_all_pos(t_atoms *pdba, rvec x[], int nab[], t_hack *ab[],
- gmx_bool bCheckMissing)
+ bool bCheckMissing)
{
int i, j, ii, jj, m, ia, d, rnr, l = 0;
#define MAXH 4
rvec xa[4]; /* control atoms for calc_h_pos */
rvec xh[MAXH]; /* hydrogen positions from calc_h_pos */
- gmx_bool bFoundAll;
+ bool bFoundAll;
jj = 0;
static int add_h_low(t_atoms **pdbaptr, rvec *xptr[],
int nah, t_hackblock ah[],
int nterpairs, t_hackblock **ntdb, t_hackblock **ctdb,
- int *rN, int *rC, gmx_bool bCheckMissing,
+ int *rN, int *rC, bool bCheckMissing,
int **nabptr, t_hack ***abptr,
- gmx_bool bUpdate_pdba, gmx_bool bKeep_old_pdba)
+ bool bUpdate_pdba, bool bKeep_old_pdba)
{
t_atoms *newpdba = nullptr, *pdba = nullptr;
int nadd;
t_hack **ab = nullptr;
t_hackblock *hb;
rvec *xn;
- gmx_bool bKeep_ab;
+ bool bKeep_ab;
/* set flags for adding hydrogens (according to hdb) */
pdba = *pdbaptr;
int add_h(t_atoms **pdbaptr, rvec *xptr[],
int nah, t_hackblock ah[],
int nterpairs, t_hackblock **ntdb, t_hackblock **ctdb,
- int *rN, int *rC, gmx_bool bAllowMissing,
+ int *rN, int *rC, bool bAllowMissing,
int **nabptr, t_hack ***abptr,
- gmx_bool bUpdate_pdba, gmx_bool bKeep_old_pdba)
+ bool bUpdate_pdba, bool bKeep_old_pdba)
{
int nold, nnew, niter;