/* Enumerated value for indexing an uij entry (anisotropic temperature factors) */
enum { U11, U22, U33, U12, U13, U23 };
-void set_pdb_wide_format(bool bSet);
+void set_pdb_wide_format(gmx_bool bSet);
/* If bSet, use wider format for occupancy and bfactor */
-void pdb_use_ter(bool bSet);
+void pdb_use_ter(gmx_bool bSet);
/* set read_pdbatoms to read upto 'TER' or 'ENDMDL' (default, bSet=FALSE).
This function is fundamentally broken as far as thread-safety is concerned.*/
void write_pdbfile_indexed(FILE *out,const char *title,t_atoms *atoms,
rvec x[],int ePBC,matrix box,char chain,
int model_nr,atom_id nindex,atom_id index[],
- gmx_conect conect,bool bTerSepChains);
+ gmx_conect conect,gmx_bool bTerSepChains);
/* REALLY low level */
void write_pdbfile(FILE *out,const char *title,t_atoms *atoms,
rvec x[],int ePBC,matrix box,char chain,
- int model_nr,gmx_conect conect,bool bTerSepChains);
+ int model_nr,gmx_conect conect,gmx_bool bTerSepChains);
/* Low level pdb file writing routine.
*
* ONLY FOR SPECIAL PURPOSES,
int read_pdbfile(FILE *in,char *title,int *model_nr,
t_atoms *atoms,rvec x[],int *ePBC,matrix box,
- bool bChange,gmx_conect conect);
+ gmx_bool bChange,gmx_conect conect);
/* Function returns number of atoms found.
* ePBC and gmx_conect structure may be NULL.
*/
void read_pdb_conf(const char *infile,char *title,
t_atoms *atoms,rvec x[],int *ePBC,matrix box,
- bool bChange,gmx_conect conect);
+ gmx_bool bChange,gmx_conect conect);
/* Read a pdb file and extract ATOM and HETATM fields.
* Read a box from the CRYST1 line, return 0 box when no CRYST1 is found.
* Change atom names according to protein conventions if wanted.
void get_pdb_coordnum(FILE *in,int *natoms);
/* Read a pdb file and count the ATOM and HETATM fields. */
-bool is_hydrogen(const char *nm);
+gmx_bool is_hydrogen(const char *nm);
/* Return whether atom nm is a hydrogen */
-bool is_dummymass(const char *nm);
+gmx_bool is_dummymass(const char *nm);
/* Return whether atom nm is a dummy mass */
/* Routines to handle CONECT records if they have been read in */
void gmx_conect_dump(FILE *fp,gmx_conect conect);
-bool gmx_conect_exist(gmx_conect conect,int ai,int aj);
+gmx_bool gmx_conect_exist(gmx_conect conect,int ai,int aj);
/* Return TRUE if there is a conection between the atoms */
void gmx_conect_add(gmx_conect conect,int ai,int aj);