}
static atom_id pdbasearch_atom(const char *name,int resind,t_atoms *pdba,
- const char *searchtype,bool bAllowMissing)
+ const char *searchtype,gmx_bool bAllowMissing)
{
int i;
return;
}
-void dump_ab(FILE *out,int natom,int nab[], t_hack *ab[], bool bHeader)
+void dump_ab(FILE *out,int natom,int nab[], t_hack *ab[], gmx_bool bHeader)
{
int i,j;
}
static void expand_hackblocks_one(t_hackblock *hbr, char *atomname,
- int *nabi, t_hack **abi, bool bN, bool bC)
+ int *nabi, t_hack **abi, gmx_bool bN, gmx_bool bC)
{
int j, k, l, d;
- bool bIgnore;
+ gmx_bool bIgnore;
/* we'll recursively add atoms to atoms */
for(j=0; j < hbr->nhack; j++) {
int nterpairs, int *rN, int *rC)
{
int i,j;
- bool bN,bC;
+ gmx_bool bN,bC;
for(i=0; i < pdba->nr; i++) {
bN = FALSE;
}
static void calc_all_pos(t_atoms *pdba, rvec x[], int nab[], t_hack *ab[],
- bool bCheckMissing)
+ gmx_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 */
- bool bFoundAll;
+ gmx_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, bool bCheckMissing,
+ int *rN, int *rC, gmx_bool bCheckMissing,
int **nabptr, t_hack ***abptr,
- bool bUpdate_pdba, bool bKeep_old_pdba)
+ gmx_bool bUpdate_pdba, gmx_bool bKeep_old_pdba)
{
t_atoms *newpdba=NULL,*pdba=NULL;
int nadd;
t_hack **ab=NULL;
t_hackblock *hb;
rvec *xn;
- bool bKeep_ab;
+ gmx_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, bool bAllowMissing,
+ int *rN, int *rC, gmx_bool bAllowMissing,
int **nabptr, t_hack ***abptr,
- bool bUpdate_pdba, bool bKeep_old_pdba)
+ gmx_bool bUpdate_pdba, gmx_bool bKeep_old_pdba)
{
int nold,nnew,niter;
{
#define NTERPAIRS 1
t_atoms *atoms;
- bool bUpdate_pdba,bKeep_old_pdba;
+ gmx_bool bUpdate_pdba,bKeep_old_pdba;
int nntdb,nctdb,nt,ct;
int nadd;