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[alexxy/gromacs.git] / src / gromacs / gmxana / sfactor.h

diff --git a/src/gromacs/gmxana/sfactor.h b/src/gromacs/gmxana/sfactor.h
index e1ad7604153c15c5ae670bc30a41406d10a2cb05..1010accf21a027b702e92998fe7b1a16897fb344 100644 (file)
--- a/src/gromacs/gmxana/sfactor.h
+++ b/src/gromacs/gmxana/sfactor.h
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2018,2019, 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.
@@ -51,39 +51,52 @@ typedef struct structure_factor structure_factor_t;
 
 typedef struct reduced_atom reduced_atom_t;
 
-int * create_indexed_atom_type (reduced_atom_t * atm, int size);
+int* create_indexed_atom_type(reduced_atom_t* atm, int size);
 
-void compute_structure_factor (structure_factor_t * sft, matrix box,
-                               reduced_atom_t * red, int isize, real start_q,
-                               real end_q, int group, real **sf_table);
+void compute_structure_factor(structure_factor_t* sft,
+                              matrix              box,
+                              reduced_atom_t*     red,
+                              int                 isize,
+                              real                start_q,
+                              real                end_q,
+                              int                 group,
+                              real**              sf_table);
 
-gmx_structurefactors_t *gmx_structurefactors_init(const char *datfn);
+gmx_structurefactors_t* gmx_structurefactors_init(const char* datfn);
 
-void gmx_structurefactors_done(gmx_structurefactors_t *gsf);
+void gmx_structurefactors_done(gmx_structurefactors_t* gsf);
 
-int gmx_structurefactors_get_sf(gmx_structurefactors_t *gsf, int elem, real a[4], real b[4], real *c);
+int gmx_structurefactors_get_sf(gmx_structurefactors_t* gsf, int elem, real a[4], real b[4], real* c);
 
-real **gmx_structurefactors_table(gmx_structurefactors_t *gsf, real momentum, real ref_k,
-                                  real lambda, int n_angles);
+real** gmx_structurefactors_table(gmx_structurefactors_t* gsf, real momentum, real ref_k, real lambda, int n_angles);
 
-void save_data (structure_factor_t * sft, const char *file, int ngrps,
-                real start_q, real end_q, const gmx_output_env_t *oenv);
+void save_data(structure_factor_t* sft, const char* file, int ngrps, real start_q, real end_q, const gmx_output_env_t* oenv);
 
-double CMSF (gmx_structurefactors_t *gsf, int type, int nh, double lambda, double sin_theta);
+double CMSF(gmx_structurefactors_t* gsf, int type, int nh, double lambda, double sin_theta);
 
-int return_atom_type (const char *name, gmx_structurefactors_t *gsf);
+int return_atom_type(const char* name, gmx_structurefactors_t* gsf);
 
-void rearrange_atoms (reduced_atom_t * positions, struct t_trxframe *fr, const int * index,
-                      int isize, const t_topology * top, gmx_bool flag, gmx_structurefactors_t *gsf);
+void rearrange_atoms(reduced_atom_t*         positions,
+                     struct t_trxframe*      fr,
+                     const int*              index,
+                     int                     isize,
+                     const t_topology*       top,
+                     gmx_bool                flag,
+                     gmx_structurefactors_t* gsf);
 
-int do_scattering_intensity (const char* fnTPS, const char* fnNDX,
-                             const char* fnXVG, const char *fnTRX,
-                             const char* fnDAT,
-                             real start_q, real end_q,
-                             real energy, int ng, const gmx_output_env_t *oenv);
+int do_scattering_intensity(const char*             fnTPS,
+                            const char*             fnNDX,
+                            const char*             fnXVG,
+                            const char*             fnTRX,
+                            const char*             fnDAT,
+                            real                    start_q,
+                            real                    end_q,
+                            real                    energy,
+                            int                     ng,
+                            const gmx_output_env_t* oenv);
 
-t_complex *** rc_tensor_allocation(int x, int y, int z);
+t_complex*** rc_tensor_allocation(int x, int y, int z);
 
-real **compute_scattering_factor_table (gmx_structurefactors_t *gsf, structure_factor_t * sft);
+real** compute_scattering_factor_table(gmx_structurefactors_t* gsf, structure_factor_t* sft);
 
 #endif