static void periodic_mindist_plot(const char *trxfn,const char *outfn,
t_topology *top,int ePBC,
- int n,atom_id index[],bool bSplit,
+ int n,atom_id index[],gmx_bool bSplit,
const output_env_t oenv)
{
FILE *out;
matrix box;
int natoms,ind_min[2]={0,0},ind_mini=0,ind_minj=0;
real r,rmin,rmax,rmint,tmint;
- bool bFirst;
+ gmx_bool bFirst;
gmx_rmpbc_t gpbc=NULL;
natoms=read_first_x(oenv,&status,trxfn,&t,&x,box);
index[ind_mini]+1,index[ind_minj]+1);
}
-static void calc_dist(real rcut, bool bPBC, int ePBC, matrix box, rvec x[],
+static void calc_dist(real rcut, gmx_bool bPBC, int ePBC, matrix box, rvec x[],
int nx1,int nx2, atom_id index1[], atom_id index2[],
- bool bGroup,
+ gmx_bool bGroup,
real *rmin, real *rmax, int *nmin, int *nmax,
int *ixmin, int *jxmin, int *ixmax, int *jxmax)
{
void dist_plot(const char *fn,const char *afile,const char *dfile,
const char *nfile,const char *rfile,const char *xfile,
- real rcut,bool bMat,t_atoms *atoms,
- int ng,atom_id *index[],int gnx[],char *grpn[],bool bSplit,
- bool bMin, int nres, atom_id *residue,bool bPBC,int ePBC,
- bool bGroup,bool bEachResEachTime, bool bPrintResName,
+ real rcut,gmx_bool bMat,t_atoms *atoms,
+ int ng,atom_id *index[],int gnx[],char *grpn[],gmx_bool bSplit,
+ gmx_bool bMin, int nres, atom_id *residue,gmx_bool bPBC,int ePBC,
+ gmx_bool bGroup,gmx_bool bEachResEachTime, gmx_bool bPrintResName,
const output_env_t oenv)
{
FILE *atm,*dist,*num;
rvec *x0;
matrix box;
t_trxframe frout;
- bool bFirst;
+ gmx_bool bFirst;
FILE *respertime=NULL;
if ((natoms=read_first_x(oenv,&status,fn,&t,&x0,box))==0)
"The [TT]-pi[tt] option is very slow."
};
- static bool bMat=FALSE,bPI=FALSE,bSplit=FALSE,bMax=FALSE,bPBC=TRUE;
- static bool bGroup=FALSE;
+ static gmx_bool bMat=FALSE,bPI=FALSE,bSplit=FALSE,bMax=FALSE,bPBC=TRUE;
+ static gmx_bool bGroup=FALSE;
static real rcutoff=0.6;
static int ng=1;
- static bool bEachResEachTime=FALSE,bPrintResName=FALSE;
+ static gmx_bool bEachResEachTime=FALSE,bPrintResName=FALSE;
t_pargs pa[] = {
{ "-matrix", FALSE, etBOOL, {&bMat},
"Calculate half a matrix of group-group distances" },
real t;
rvec *x;
matrix box;
- bool bTop=FALSE;
+ gmx_bool bTop=FALSE;
FILE *atm;
int i,j,nres=0;