#include "matio.h"
#include "gmx_ana.h"
-static bool bAllowed(real phi,real psi)
+static gmx_bool bAllowed(real phi,real psi)
{
static const char *map[] = {
"1100000000000000001111111000000000001111111111111111111111111",
x = INDEX(phi);
y = INDEX(psi);
#undef INDEX
- return (bool) map[x][y];
+ return (gmx_bool) map[x][y];
}
atom_id *make_chi_ind(int nl,t_dlist dl[],int *ndih)
static void do_dihcorr(const char *fn,int nf,int ndih,real **dih,real dt,
int nlist,t_dlist dlist[],real time[],int maxchi,
- bool bPhi,bool bPsi,bool bChi,bool bOmega,
+ gmx_bool bPhi,gmx_bool bPsi,gmx_bool bChi,gmx_bool bOmega,
const output_env_t oenv)
{
char name1[256],name2[256];
fprintf(stderr,"\n");
}
-static void copy_dih_data(real in[], real out[], int nf, bool bLEAVE)
+static void copy_dih_data(real in[], real out[], int nf, gmx_bool bLEAVE)
{
/* if bLEAVE, do nothing to data in copying to out
* otherwise multiply by 180/pi to convert rad to deg */
static void dump_em_all(int nlist,t_dlist dlist[],int nf,real time[],
real **dih,int maxchi,
- bool bPhi,bool bPsi,bool bChi,bool bOmega, bool bRAD,
+ gmx_bool bPhi,gmx_bool bPsi,gmx_bool bChi,gmx_bool bOmega, gmx_bool bRAD,
const output_env_t oenv)
{
char name[256], titlestr[256], ystr[256];
int nf,int maxchi,real **dih,
int nlist,t_dlist dlist[],
atom_id index[],
- bool bPhi,bool bPsi,bool bOmega,bool bChi,
- bool bNormalize,bool bSSHisto,const char *ssdump,
+ gmx_bool bPhi,gmx_bool bPsi,gmx_bool bOmega,gmx_bool bChi,
+ gmx_bool bNormalize,gmx_bool bSSHisto,const char *ssdump,
real bfac_max,t_atoms *atoms,
- bool bDo_jc, const char *fn,
+ gmx_bool bDo_jc, const char *fn,
const output_env_t oenv)
{
/* also gets 3J couplings and order parameters S2 */
int ****his_aa_ss=NULL;
int ***his_aa,**his_aa1,*histmp;
int i,j,k,m,n,nn,Dih,nres,hindex,angle;
- bool bBfac,bOccup;
+ gmx_bool bBfac,bOccup;
char hisfile[256],hhisfile[256],sshisfile[256],title[256],*ss_str=NULL;
char **leg;
}
static void do_rama(int nf,int nlist,t_dlist dlist[],real **dih,
- bool bViol,bool bRamOmega,const output_env_t oenv)
+ gmx_bool bViol,gmx_bool bRamOmega,const output_env_t oenv)
{
FILE *fp,*gp=NULL;
- bool bOm;
+ gmx_bool bOm;
char fn[256];
int i,j,k,Xi1,Xi2,Phi,Psi,Om=0,nlevels;
#define NMAT 120
static void print_transitions(const char *fn,int maxchi,int nlist,
t_dlist dlist[], t_atoms *atoms,rvec x[],
- matrix box, bool bPhi,bool bPsi,bool bChi,real dt,
+ matrix box, gmx_bool bPhi,gmx_bool bPsi,gmx_bool bChi,real dt,
const output_env_t oenv)
{
/* based on order_params below */
const char *fn,int maxchi,int nlist,t_dlist dlist[],
const char *pdbfn,real bfac_init,
t_atoms *atoms,rvec x[],int ePBC,matrix box,
- bool bPhi,bool bPsi,bool bChi,const output_env_t oenv)
+ gmx_bool bPhi,gmx_bool bPsi,gmx_bool bChi,const output_env_t oenv)
{
FILE *fp;
int nh[edMax];
/* defaults */
static int r0=1,ndeg=1,maxchi=2;
- static bool bAll=FALSE;
- static bool bPhi=FALSE,bPsi=FALSE,bOmega=FALSE;
+ static gmx_bool bAll=FALSE;
+ static gmx_bool bPhi=FALSE,bPsi=FALSE,bOmega=FALSE;
static real bfac_init=-1.0,bfac_max=0;
static const char *maxchistr[] = { NULL, "0", "1", "2", "3", "4", "5", "6", NULL };
- static bool bRama=FALSE,bShift=FALSE,bViol=FALSE,bRamOmega=FALSE;
- static bool bNormHisto=TRUE,bChiProduct=FALSE,bHChi=FALSE,bRAD=FALSE,bPBC=TRUE;
+ static gmx_bool bRama=FALSE,bShift=FALSE,bViol=FALSE,bRamOmega=FALSE;
+ static gmx_bool bNormHisto=TRUE,bChiProduct=FALSE,bHChi=FALSE,bRAD=FALSE,bPBC=TRUE;
static real core_frac=0.5 ;
t_pargs pa[] = {
{ "-r0", FALSE, etINT, {&r0},
char title[256],grpname[256];
t_dlist *dlist;
char **aa;
- bool bChi,bCorr,bSSHisto;
- bool bDo_rt, bDo_oh, bDo_ot, bDo_jc ;
+ gmx_bool bChi,bCorr,bSSHisto;
+ gmx_bool bDo_rt, bDo_oh, bDo_ot, bDo_jc ;
real dt=0, traj_t_ns;
output_env_t oenv;