*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
struct gmx_output_env_t;
-typedef struct {
+typedef struct
+{
gmx_bool bShow;
- char *label;
+ char* label;
int iphi, ipsi; /* point in the dih array of xr... */
} t_phipsi;
-typedef struct {
- int ai[4];
- int mult;
- real phi0;
- real ang;
+typedef struct
+{
+ int ai[4];
+ int mult;
+ real phi0;
+ real ang;
} t_dih;
-typedef struct {
+typedef struct
+{
int ndih;
- t_dih *dih;
+ t_dih* dih;
int npp;
- t_phipsi *pp;
- t_trxstatus *traj;
+ t_phipsi* pp;
+ t_trxstatus* traj;
int natoms;
int amin, amax;
real t;
- rvec *x;
+ rvec* x;
matrix box;
- t_idef *idef;
+ t_idef* idef;
int ePBC;
- gmx_output_env_t *oenv;
+ gmx_output_env_t* oenv;
} t_xrama;
-t_topology *init_rama(gmx_output_env_t *oenv, const char *infile,
- const char *topfile, t_xrama *xr, int mult);
+t_topology* init_rama(gmx_output_env_t* oenv, const char* infile, const char* topfile, t_xrama* xr, int mult);
-gmx_bool new_data(t_xrama *xr);
+gmx_bool new_data(t_xrama* xr);
-#endif /* GMX_GMXANA_NRAMA_H */
+#endif /* GMX_GMXANA_NRAMA_H */