{
int j,k,nmiss;
char *name;
- bool bFound, bRet;
+ gmx_bool bFound, bRet;
nmiss = 0;
for (j=0; j<rp->natom; j++)
return nmiss;
}
-bool is_int(double x)
+gmx_bool is_int(double x)
{
const double tol = 1e-4;
int ix;
{
int i,j,prevresind,resind,i0,prevcg,cg,curcg;
char *name;
- bool bProt, bNterm;
+ gmx_bool bProt, bNterm;
double qt;
int nmissat;
gmx_residuetype_t rt;
}
void print_top_comment(FILE *out,const char *filename,
- const char *generator,bool bITP)
+ const char *generator,gmx_bool bITP)
{
char tmp[256];
}
void print_top_header(FILE *out,const char *filename,
- const char *title,bool bITP,const char *ffdir,real mHmult)
+ const char *title,gmx_bool bITP,const char *ffdir,real mHmult)
{
print_top_comment(out,filename,title,bITP);
}
void write_top(FILE *out, char *pr,char *molname,
- t_atoms *at,bool bRTPresname,
+ t_atoms *at,gmx_bool bRTPresname,
int bts[],t_params plist[],t_excls excls[],
gpp_atomtype_t atype,int *cgnr, int nrexcl)
/* NOTE: nrexcl is not the size of *excl! */
static atom_id search_res_atom(const char *type,int resind,
int natom,t_atom at[],
char ** const *aname,
- const char *bondtype,bool bAllowMissing)
+ const char *bondtype,gmx_bool bAllowMissing)
{
int i;
}
static void do_ssbonds(t_params *ps,int natoms,t_atom atom[],char **aname[],
- int nssbonds,t_ssbond *ssbonds,bool bAllowMissing)
+ int nssbonds,t_ssbond *ssbonds,gmx_bool bAllowMissing)
{
int i,ri,rj;
atom_id ai,aj;
}
}
-static bool inter_res_bond(const t_rbonded *b)
+static gmx_bool inter_res_bond(const t_rbonded *b)
{
return (b->AI[0] == '-' || b->AI[0] == '+' ||
b->AJ[0] == '-' || b->AJ[0] == '+');
int natoms, t_atom atom[], char **aname[],
int nres, rvec x[],
real long_bond_dist, real short_bond_dist,
- bool bAllowMissing)
+ gmx_bool bAllowMissing)
{
int resind,i,j,k;
atom_id ai,aj;
fprintf(stderr,"No bonds\n");
}
-void print_sums(t_atoms *atoms, bool bSystem)
+void print_sums(t_atoms *atoms, gmx_bool bSystem)
{
double m,qtot;
int i;
char buf[STRLEN];
const char *Hnum="123456";
int tern,terc;
- bool bN,bC,bRM;
+ gmx_bool bN,bC,bRM;
snew(*hb,nres);
snew(*restp,nres);
}
}
-static bool atomname_cmp_nr(const char *anm,t_hack *hack,int *nr)
+static gmx_bool atomname_cmp_nr(const char *anm,t_hack *hack,int *nr)
{
if (hack->nr == 1)
}
}
-static bool match_atomnames_with_rtp_atom(t_atoms *pdba,rvec *x,int atind,
+static gmx_bool match_atomnames_with_rtp_atom(t_atoms *pdba,rvec *x,int atind,
t_restp *rptr,t_hackblock *hbr,
- bool bVerbose)
+ gmx_bool bVerbose)
{
int resnr;
int i,j,k;
int anmnr;
char *start_at,buf[STRLEN];
int start_nr;
- bool bReplaceReplace,bFoundInAdd;
- bool bDeleted;
+ gmx_bool bReplaceReplace,bFoundInAdd;
+ gmx_bool bDeleted;
oldnm = *pdba->atomname[atind];
resnr = pdba->resinfo[pdba->atom[atind].resind].nr;
void match_atomnames_with_rtp(t_restp restp[],t_hackblock hb[],
t_atoms *pdba,rvec *x,
- bool bVerbose)
+ gmx_bool bVerbose)
{
int i,j,k;
char *oldnm,*newnm;
int anmnr;
char *start_at,buf[STRLEN];
int start_nr;
- bool bFoundInAdd;
+ gmx_bool bFoundInAdd;
for(i=0; i<pdba->nr; i++)
{
int nrtp, t_restp rtp[],
t_restp *restp, t_hackblock *hb,
int nterpairs,t_hackblock **ntdb, t_hackblock **ctdb,
- int *rn, int *rc, bool bAllowMissing,
- bool bVsites, bool bVsiteAromatics,
+ int *rn, int *rc, gmx_bool bAllowMissing,
+ gmx_bool bVsites, gmx_bool bVsiteAromatics,
const char *ff, const char *ffdir,
real mHmult,
int nssbonds, t_ssbond *ssbonds,
real long_bond_dist, real short_bond_dist,
- bool bDeuterate, bool bChargeGroups, bool bCmap,
- bool bRenumRes,bool bRTPresname)
+ gmx_bool bDeuterate, gmx_bool bChargeGroups, gmx_bool bCmap,
+ gmx_bool bRenumRes,gmx_bool bRTPresname)
{
/*
t_hackblock *hb;