Code beautification with uncrustify

[alexxy/gromacs.git] / src / gromacs / legacyheaders / do_fit.h

diff --git a/src/gromacs/legacyheaders/do_fit.h b/src/gromacs/legacyheaders/do_fit.h
index 9ab20d1d43d8a76e2418d79b9645212ddd547758..b00968f6e452c53c62e03192bc78eb9914d8c1ae 100644 (file)
--- a/src/gromacs/legacyheaders/do_fit.h
+++ b/src/gromacs/legacyheaders/do_fit.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:
  * Gromacs Runs On Most of All Computer Systems
  */
@@ -42,29 +42,29 @@
 extern "C" {
 #endif
 
-real calc_similar_ind(gmx_bool bRho,int nind,atom_id *index,real mass[],
-                            rvec x[],rvec xp[]);
+real calc_similar_ind(gmx_bool bRho, int nind, atom_id *index, real mass[],
+                      rvec x[], rvec xp[]);
 /* Returns RMSD or Rho (depending on bRho) over all atoms in index */
 
-real rmsdev_ind(int nind,atom_id index[],real mass[],
-                      rvec x[],rvec xp[]);
+real rmsdev_ind(int nind, atom_id index[], real mass[],
+                rvec x[], rvec xp[]);
 /* Returns the RMS Deviation betweem x and xp over all atoms in index */
 
-real rmsdev(int natoms,real mass[],rvec x[],rvec xp[]);
+real rmsdev(int natoms, real mass[], rvec x[], rvec xp[]);
 /* Returns the RMS Deviation betweem x and xp over all atoms */
 
-real rhodev_ind(int nind,atom_id index[],real mass[],rvec x[],rvec xp[]);
+real rhodev_ind(int nind, atom_id index[], real mass[], rvec x[], rvec xp[]);
 /* Returns size-independent Rho similarity parameter over all atoms in index
  * Maiorov & Crippen, PROTEINS 22, 273 (1995).
  */
- 
-real rhodev(int natoms,real mass[],rvec x[],rvec xp[]);
+
+real rhodev(int natoms, real mass[], rvec x[], rvec xp[]);
 /* Returns size-independent Rho similarity parameter over all atoms
  * Maiorov & Crippen, PROTEINS 22, 273 (1995).
  */
 
-void calc_fit_R(int ndim,int natoms,real *w_rls,rvec *xp,rvec *x,
-                      matrix R);
+void calc_fit_R(int ndim, int natoms, real *w_rls, rvec *xp, rvec *x,
+                matrix R);
 /* Calculates the rotation matrix R for which
  * sum_i w_rls_i (xp_i - R x_i).(xp_i - R x_i)
  * is minimal. ndim=3 gives full fit, ndim=2 gives xy fit.
@@ -72,7 +72,7 @@ void calc_fit_R(int ndim,int natoms,real *w_rls,rvec *xp,rvec *x,
  * x_rotated[i] = sum R[i][j]*x[j]
  */
 
-void do_fit_ndim(int ndim,int natoms,real *w_rls,rvec *xp,rvec *x);
+void do_fit_ndim(int ndim, int natoms, real *w_rls, rvec *xp, rvec *x);
 /* Do a least squares fit of x to xp. Atoms which have zero mass
  * (w_rls[i]) are not taken into account in fitting.
  * This makes is possible to fit eg. on Calpha atoms and orient
@@ -80,12 +80,12 @@ void do_fit_ndim(int ndim,int natoms,real *w_rls,rvec *xp,rvec *x);
  * therefore both xp and x should be centered round the origin.
  */
 
-void do_fit(int natoms,real *w_rls,rvec *xp,rvec *x);
+void do_fit(int natoms, real *w_rls, rvec *xp, rvec *x);
 /* Calls do_fit with ndim=3, thus fitting in 3D */
 
-void reset_x_ndim(int ndim,int ncm,const atom_id *ind_cm,
-                        int nreset,const atom_id *ind_reset,
-                        rvec x[],const real mass[]);
+void reset_x_ndim(int ndim, int ncm, const atom_id *ind_cm,
+                  int nreset, const atom_id *ind_reset,
+                  rvec x[], const real mass[]);
 /* Put the center of mass of atoms in the origin for dimensions 0 to ndim.
  * The center of mass is computed from the index ind_cm.
  * When ind_cm!=NULL the COM is determined using ind_cm.
@@ -94,13 +94,13 @@ void reset_x_ndim(int ndim,int ncm,const atom_id *ind_cm,
  * When ind_reset==NULL the coordinates up to nreset are reset.
  */
 
-void reset_x(int ncm,const atom_id *ind_cm,
-                   int nreset,const atom_id *ind_reset,
-                   rvec x[],const real mass[]);
+void reset_x(int ncm, const atom_id *ind_cm,
+             int nreset, const atom_id *ind_reset,
+             rvec x[], const real mass[]);
 /* Calls reset_x with ndim=3, thus resetting all dimesions */
 
 #ifdef __cplusplus
 }
 #endif
 
-#endif /* _do_fit_h */
+#endif  /* _do_fit_h */