static const char *pdbtp[epdbNR] =
{ "ATOM ", "HETATM" };
-real calc_mass(t_atoms *atoms, bool bGetMass, gmx_atomprop_t aps)
+real calc_mass(t_atoms *atoms, gmx_bool bGetMass, gmx_atomprop_t aps)
{
real tmass;
int i;
}
real calc_geom(int isize, atom_id *index, rvec *x, rvec geom_center, rvec min,
- rvec max, bool bDiam)
+ rvec max, gmx_bool bDiam)
{
real diam2, d;
char *grpnames;
}
void set_pdb_conf_bfac(int natoms, int nres, t_atoms *atoms, int n_bfac,
- double *bfac, int *bfac_nr, bool peratom)
+ double *bfac, int *bfac_nr, gmx_bool peratom)
{
FILE *out;
real bfac_min, bfac_max;
int i, n;
- bool found;
+ gmx_bool found;
bfac_max = -1e10;
bfac_min = 1e10;
"For complex molecules, the periodicity removal routine may break down, ",
"in that case you can use trjconv." };
static real dist = 0.0, rbox = 0.0, to_diam = 0.0;
- static bool bNDEF = FALSE, bRMPBC = FALSE, bCenter = FALSE, bReadVDW =
+ static gmx_bool bNDEF = FALSE, bRMPBC = FALSE, bCenter = FALSE, bReadVDW =
FALSE, bCONECT = FALSE;
- static bool peratom = FALSE, bLegend = FALSE, bOrient = FALSE, bMead =
+ static gmx_bool peratom = FALSE, bLegend = FALSE, bOrient = FALSE, bMead =
FALSE, bGrasp = FALSE, bSig56 = FALSE;
static rvec scale =
{ 1, 1, 1 }, newbox =
int ePBC;
matrix box,rotmatrix,trans;
rvec princd,tmpvec;
- bool bIndex, bSetSize, bSetAng, bCubic, bDist, bSetCenter, bAlign;
- bool bHaveV, bScale, bRho, bTranslate, bRotate, bCalcGeom, bCalcDiam;
+ gmx_bool bIndex, bSetSize, bSetAng, bCubic, bDist, bSetCenter, bAlign;
+ gmx_bool bHaveV, bScale, bRho, bTranslate, bRotate, bCalcGeom, bCalcDiam;
real xs, ys, zs, xcent, ycent, zcent, diam = 0, mass = 0, d, vdw;
gmx_atomprop_t aps;
gmx_conect conect;