}
void calc_order(const char *fn, atom_id *index, atom_id *a, rvec **order,
- real ***slOrder, real *slWidth, int nslices, bool bSliced,
- bool bUnsat, t_topology *top, int ePBC, int ngrps, int axis,
- bool permolecule, bool radial, bool distcalc, const char *radfn,
+ real ***slOrder, real *slWidth, int nslices, gmx_bool bSliced,
+ gmx_bool bUnsat, t_topology *top, int ePBC, int ngrps, int axis,
+ gmx_bool permolecule, gmx_bool radial, gmx_bool distcalc, const char *radfn,
real ***distvals,
const output_env_t oenv)
{
*slCount; /* nr. of atoms in one slice */
real dbangle = 0, /* angle between double bond and axis */
sdbangle = 0;/* sum of these angles */
- bool use_unitvector = FALSE; /* use a specified unit vector instead of axis to specify unit normal*/
+ gmx_bool use_unitvector = FALSE; /* use a specified unit vector instead of axis to specify unit normal*/
rvec direction, com,dref,dvec;
int comsize, distsize;
atom_id *comidx=NULL, *distidx=NULL;
void order_plot(rvec order[], real *slOrder[], const char *afile, const char *bfile,
- const char *cfile, int ngrps, int nslices, real slWidth, bool bSzonly,
- bool permolecule, real **distvals, const output_env_t oenv)
+ const char *cfile, int ngrps, int nslices, real slWidth, gmx_bool bSzonly,
+ gmx_bool permolecule, real **distvals, const output_env_t oenv)
{
FILE *ord, *slOrd; /* xvgr files with order parameters */
int atom, slice; /* atom corresponding to order para.*/
};
static int nslices = 1; /* nr of slices defined */
- static bool bSzonly = FALSE; /* True if only Sz is wanted */
- static bool bUnsat = FALSE; /* True if carbons are unsat. */
+ static gmx_bool bSzonly = FALSE; /* True if only Sz is wanted */
+ static gmx_bool bUnsat = FALSE; /* True if carbons are unsat. */
static const char *normal_axis[] = { NULL, "z", "x", "y", NULL };
- static bool permolecule = FALSE; /*compute on a per-molecule basis */
- static bool radial = FALSE; /*compute a radial membrane normal */
- static bool distcalc = FALSE; /*calculate distance from a reference group */
+ static gmx_bool permolecule = FALSE; /*compute on a per-molecule basis */
+ static gmx_bool radial = FALSE; /*compute a radial membrane normal */
+ static gmx_bool distcalc = FALSE; /*calculate distance from a reference group */
t_pargs pa[] = {
{ "-d", FALSE, etENUM, {normal_axis},
"Direction of the normal on the membrane" },
{ efXVG,"-Sgsl","sg-ang-slice", ffOPTWR }, /* xvgr output file */
{ efXVG,"-Sksl","sk-dist-slice", ffOPTWR }, /* xvgr output file */
};
- bool bSliced = FALSE; /* True if box is sliced */
+ gmx_bool bSliced = FALSE; /* True if box is sliced */
#define NFILE asize(fnm)
real **distvals=NULL;
const char *sgfnm,*skfnm,*ndxfnm,*tpsfnm,*trxfnm;