t_clustid *c;
t_dist *d;
int i,j,k,nn,cid,n1,diff;
- bool bChange;
+ gmx_bool bChange;
/* First we sort the entries in the RMSD matrix */
n1 = m->nn;
sfree(d);
}
-bool jp_same(int **nnb,int i,int j,int P)
+gmx_bool jp_same(int **nnb,int i,int j,int P)
{
- bool bIn;
+ gmx_bool bIn;
int k,ii,jj,pp;
bIn = FALSE;
t_clustid *c;
int **nnb;
int i,j,k,cid,diff,max;
- bool bChange;
+ gmx_bool bChange;
real **mcpy=NULL;
if (rmsdcut < 0)
c = new_clustid(n1);
fprintf(stderr,"Linking structures ");
- /* Use mcpy for temporary storage of booleans */
+ /* Use mcpy for temporary storage of gmx_booleans */
mcpy = mk_matrix(n1,n1,FALSE);
for(i=0; i<n1; i++)
for(j=i+1; j<n1; j++)
int iosize, atom_id *outidx,
const char *trxfn, const char *sizefn,
const char *transfn, const char *ntransfn,
- const char *clustidfn, bool bAverage,
+ const char *clustidfn, gmx_bool bAverage,
int write_ncl, int write_nst, real rmsmin,
- bool bFit, FILE *log,t_rgb rlo,t_rgb rhi,
+ gmx_bool bFit, FILE *log,t_rgb rlo,t_rgb rhi,
const output_env_t oenv)
{
FILE *fp=NULL;
t_trxstatus *trxout=NULL;
t_trxstatus *trxsout=NULL;
int i,i1,cl,nstr,*structure,first=0,midstr;
- bool *bWrite=NULL;
+ gmx_bool *bWrite=NULL;
real r,clrmsd,midrmsd;
rvec *xav=NULL;
matrix zerobox;
char *grpname;
real rmsd,**d1,**d2,*time=NULL,time_invfac,*mass=NULL;
char buf[STRLEN],buf1[80],title[STRLEN];
- bool bAnalyze,bUseRmsdCut,bJP_RMSD=FALSE,bReadMat,bReadTraj;
+ gmx_bool bAnalyze,bUseRmsdCut,bJP_RMSD=FALSE,bReadMat,bReadTraj;
int method,ncluster=0;
static const char *methodname[] = {
static t_rgb rhi_bot = { 0.0, 0.0, 1.0 };
static int nlevels=40,skip=1;
static real scalemax=-1.0,rmsdcut=0.1,rmsmin=0.0;
- static bool bRMSdist=FALSE,bBinary=FALSE,bAverage=FALSE,bFit=TRUE;
+ static gmx_bool bRMSdist=FALSE,bBinary=FALSE,bAverage=FALSE,bFit=TRUE;
static int niter=10000,seed=1993,write_ncl=0,write_nst=1,minstruct=1;
static real kT=1e-3;
static int M=10,P=3;