typedef struct gmx_conect_t {
int nconect;
- bool bSorted;
+ gmx_bool bSorted;
gmx_conection_t *conect;
} gmx_conect_t;
/* this is not very good,
but these are only used in gmx_trjconv and gmx_editconv */
-static bool bWideFormat=FALSE;
+static gmx_bool bWideFormat=FALSE;
#define REMARK_SIM_BOX "REMARK THIS IS A SIMULATION BOX"
-void set_pdb_wide_format(bool bSet)
+void set_pdb_wide_format(gmx_bool bSet)
{
bWideFormat = bSet;
}
t_atoms *atoms,rvec x[],
int ePBC,matrix box,char chainid,
int model_nr, atom_id nindex, atom_id index[],
- gmx_conect conect, bool bTerSepChains)
+ gmx_conect conect, gmx_bool bTerSepChains)
{
gmx_conect_t *gc = (gmx_conect_t *)conect;
char resnm[6],nm[6],pdbform[128],pukestring[100];
int resind,resnr,type;
unsigned char resic,ch;
real occup,bfac;
- bool bOccup;
+ gmx_bool bOccup;
int nlongname=0;
int chainnum,lastchainnum;
int lastresind,lastchainresind;
}
void write_pdbfile(FILE *out,const char *title, t_atoms *atoms,rvec x[],
- int ePBC,matrix box,char chainid,int model_nr,gmx_conect conect,bool bTerSepChains)
+ int ePBC,matrix box,char chainid,int model_nr,gmx_conect conect,gmx_bool bTerSepChains)
{
atom_id i,*index;
static int read_atom(t_symtab *symtab,
char line[],int type,int natom,
- t_atoms *atoms,rvec x[],int chainnum,bool bChange)
+ t_atoms *atoms,rvec x[],int chainnum,gmx_bool bChange)
{
t_atom *atomn;
int j,k;
return natom;
}
-bool is_hydrogen(const char *nm)
+gmx_bool is_hydrogen(const char *nm)
{
char buf[30];
return FALSE;
}
-bool is_dummymass(const char *nm)
+gmx_bool is_dummymass(const char *nm)
{
char buf[30];
sfree(gc->conect);
}
-bool gmx_conect_exist(gmx_conect conect,int ai,int aj)
+gmx_bool gmx_conect_exist(gmx_conect conect,int ai,int aj)
{
gmx_conect_t *gc = (gmx_conect_t *)conect;
int i;
}
int read_pdbfile(FILE *in,char *title,int *model_nr,
- t_atoms *atoms,rvec x[],int *ePBC,matrix box,bool bChange,
+ t_atoms *atoms,rvec x[],int *ePBC,matrix box,gmx_bool bChange,
gmx_conect conect)
{
gmx_conect_t *gc = (gmx_conect_t *)conect;
t_symtab symtab;
- bool bCOMPND;
- bool bConnWarn = FALSE;
+ gmx_bool bCOMPND;
+ gmx_bool bConnWarn = FALSE;
char line[STRLEN+1];
int line_type;
char *c,*d;
int natom,chainnum,nres_ter_prev=0;
char chidmax=' ';
- bool bStop=FALSE;
+ gmx_bool bStop=FALSE;
if (ePBC)
{
}
void read_pdb_conf(const char *infile,char *title,
- t_atoms *atoms,rvec x[],int *ePBC,matrix box,bool bChange,
+ t_atoms *atoms,rvec x[],int *ePBC,matrix box,gmx_bool bChange,
gmx_conect conect)
{
FILE *in;