Code beautification with uncrustify

[alexxy/gromacs.git] / src / tools / pp2shift.h

diff --git a/src/tools/pp2shift.h b/src/tools/pp2shift.h
index d61b532eb9f752604cc218be5d96f6ed31aca802..51160d4f5c8a7a9d23dec9a3e97c502fa2204d33 100644 (file)
--- a/src/tools/pp2shift.h
+++ b/src/tools/pp2shift.h
@@ -1,11 +1,11 @@
 /*
- * 
+ *
  *                This source code is part of
- * 
+ *
  *                 G   R   O   M   A   C   S
- * 
+ *
  *          GROningen MAchine for Chemical Simulations
- * 
+ *
  *                        VERSION 3.2.0
  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
@@ -16,19 +16,19 @@
  * modify it under the terms of the GNU General Public License
  * as published by the Free Software Foundation; either version 2
  * of the License, or (at your option) any later version.
- * 
+ *
  * If you want to redistribute modifications, please consider that
  * scientific software is very special. Version control is crucial -
  * bugs must be traceable. We will be happy to consider code for
  * inclusion in the official distribution, but derived work must not
  * be called official GROMACS. Details are found in the README & COPYING
  * files - if they are missing, get the official version at www.gromacs.org.
- * 
+ *
  * To help us fund GROMACS development, we humbly ask that you cite
  * the papers on the package - you can find them in the top README file.
- * 
+ *
  * For more info, check our website at http://www.gromacs.org
- * 
+ *
  * And Hey:
  * Green Red Orange Magenta Azure Cyan Skyblue
  */
@@ -37,59 +37,59 @@
 #define _pp2shift_h
 
 #include "typedefs.h"
-       
+
 /* must correspond with 'leg' g_chi.c:727 */
-enum { edPhi=0, edPsi, edOmega, edChi1, edChi2, edChi3, edChi4, edChi5, edChi6, edMax };
+enum {
+    edPhi = 0, edPsi, edOmega, edChi1, edChi2, edChi3, edChi4, edChi5, edChi6, edMax
+};
 
-enum { edPrintST=0,edPrintRO } ; 
+enum {
+    edPrintST = 0, edPrintRO
+};
 
 #define NHISTO 360
 #define NONCHI 3
 #define MAXCHI edMax-NONCHI
-#define NROT 4  /* number of rotamers: 1=g(-), 2=t, 3=g(+), 0=other */ 
+#define NROT 4  /* number of rotamers: 1=g(-), 2=t, 3=g(+), 0=other */
 
 typedef struct {
-  int minO,minC,H,N,C,O,Cn[MAXCHI+3];
+    int minO, minC, H, N, C, O, Cn[MAXCHI+3];
 } t_dihatms; /* Cn[0]=N, Cn[1]=Ca, Cn[2]=Cb etc. */
 
 typedef struct {
-  char name[12];
-  int  resnr;
-  int  index;       /* Index for amino acids (histograms) */
-  int  j0[edMax];   /* Index in dih array (phi angle is first...) */
-  t_dihatms  atm;
-  int  b[edMax];
-  int  ntr[edMax];
-  real S2[edMax];
-  real rot_occ[edMax][NROT];
+    char       name[12];
+    int        resnr;
+    int        index;     /* Index for amino acids (histograms) */
+    int        j0[edMax]; /* Index in dih array (phi angle is first...) */
+    t_dihatms  atm;
+    int        b[edMax];
+    int        ntr[edMax];
+    real       S2[edMax];
+    real       rot_occ[edMax][NROT];
 
 } t_dlist;
 
-extern void do_pp2shifts(FILE *fp,int nframes,
-                        int nlist,t_dlist dlist[],real **dih);
-
-extern gmx_bool has_dihedral(int Dih,t_dlist *dl);
-
-extern t_dlist *mk_dlist(FILE *log, 
-                        t_atoms *atoms, int *nlist,
-                        gmx_bool bPhi, gmx_bool bPsi, gmx_bool bChi, int maxchi,
-                        int r0, gmx_residuetype_t rt);
-                        
-extern void pr_dlist(FILE *fp,int nl,t_dlist dl[],real dt,  int printtype,
-gmx_bool bPhi, gmx_bool bPsi,gmx_bool bChi,gmx_bool bOmega, int maxchi);
+extern void do_pp2shifts(FILE *fp, int nframes,
+                         int nlist, t_dlist dlist[], real **dih);
 
-extern int pr_trans(FILE *fp,int nl,t_dlist dl[],real dt,int Xi);
+extern gmx_bool has_dihedral(int Dih, t_dlist *dl);
 
-extern void mk_chi_lookup (int **lookup, int maxchi, real **dih, 
-                          int nlist, t_dlist dlist[]) ; 
+extern t_dlist *mk_dlist(FILE *log,
+                         t_atoms *atoms, int *nlist,
+                         gmx_bool bPhi, gmx_bool bPsi, gmx_bool bChi, int maxchi,
+                         int r0, gmx_residuetype_t rt);
 
-extern void get_chi_product_traj (real **dih,int nframes,int nangles, 
-                          int nlist,int maxchi, t_dlist dlist[], real time[], 
-                          int **lookup,int *multiplicity,gmx_bool bRb,gmx_bool bNormalize,
-                          real core_frac); 
-
-#endif
+extern void pr_dlist(FILE *fp, int nl, t_dlist dl[], real dt,  int printtype,
+                     gmx_bool bPhi, gmx_bool bPsi, gmx_bool bChi, gmx_bool bOmega, int maxchi);
 
+extern int pr_trans(FILE *fp, int nl, t_dlist dl[], real dt, int Xi);
 
+extern void mk_chi_lookup (int **lookup, int maxchi, real **dih,
+                           int nlist, t_dlist dlist[]);
 
+extern void get_chi_product_traj (real **dih, int nframes, int nangles,
+                                  int nlist, int maxchi, t_dlist dlist[], real time[],
+                                  int **lookup, int *multiplicity, gmx_bool bRb, gmx_bool bNormalize,
+                                  real core_frac);
 
+#endif