start moving to another architecture

mathmech/mm/include/mathmech/atom_types.h

@@ -0,0 +1,14 @@
+/**
+ * @file
+ */
+
+#ifndef ATOM_TYPES_H
+#define ATOM_TYPES_H
+
+/**
+ * @fn reading_atoms
+ */
+
+int reading_atoms (const char *, int *, int *, int *, char *, int *, const int);
+
+#endif /* ATOM_TYPES_H */

mathmech/mm/include/mathmech/coords.h

@@ -0,0 +1,16 @@
+/**
+ * @file
+ */
+
+#ifndef COORDS_H
+#define COORDS_H
+
+/**
+ * @fn reading_coords
+ */
+
+int reading_coords (const int, const char *, const int, const int *, 
+                    const float *, int *, int *, int *, int *, int *, float *, 
+                    char *);
+
+#endif /* COORDS_H */

mathmech/mm/include/mathmech/envir_search.h

@@ -0,0 +1,14 @@
+/**
+ * @file
+ */
+
+#ifndef ENVIR_SEARCH_H
+#define ENVIR_SEARCH_H
+
+/**
+ * @fn search_envir
+ */
+
+int search_envir (const int, const int, const float *, const double, int *, int *);
+
+#endif /* ENVIR_SEARCH_H */

mathmech/mm/include/mathmech/graph.h

@@ -0,0 +1,26 @@
+/**
+ * @file
+ */
+
+#ifndef GRAPH_H
+#define GRAPH_H
+
+/**
+ * @fn graph_analyze
+ */
+/**
+ * @fn check_cycle
+ */
+/**
+ * @fn check_cycle_size
+ */
+/**
+ * @fn check_tail
+ */
+
+int graph_analyze (const int, const int *, const int, int *);
+int check_cycle (const int, const int *);
+int check_cycle_size (const int, const int *, const int, int *);
+int check_tail (const int *);
+
+#endif /* GRAPH_H */

mathmech/mm/include/mathmech/messages.h

@@ -0,0 +1,14 @@
+/**
+ * @file
+ */
+
+#ifndef MESSAGES_H
+#define MESSAGES_H
+
+/**
+ * @fn message
+ */
+
+int message (const int, const int, const char *, FILE *);
+
+#endif /* MESSAGES_H */

mathmech/mm/include/mathmech/print_struct.h

@@ -0,0 +1,15 @@
+/**
+ * @file
+ */
+
+#ifndef PRINT_STRUCTURE_H
+#define PRINT_STRUCTURE_H
+
+/**
+ * @fn print_structure
+ */
+
+int print_structure (const char *, const int, const int *, const int, const int *, 
+                     const char *, const float *);
+
+#endif /* PRINT_STRUCTURE_H */

mathmech/mm/include/mathmech/print_trj.h

@@ -0,0 +1,15 @@
+/**
+ * @file
+ */
+
+#ifndef PRINT_TRJ_H
+#define PRINT_TRJ_H
+
+/**
+ * @fn printing_trj
+ */
+
+int printing_trj (const char *, const int, const int, const int *, const int *, 
+                  const char *, const int *, const float *);
+
+#endif /* PRINT_TRJ_H */

mathmech/mm/include/mathmech/radf.h

@@ -0,0 +1,26 @@
+/**
+ * @file
+ */
+
+#ifndef RADF_H
+#define RADF_H
+
+/**
+ * @fn search_rdf
+ */
+/**
+ * @fn search_rdf_centr
+ */
+/**
+ * @fn search_radf
+ */
+
+int search_rdf (const int, const int *, const int *, const float *, const double, 
+                const double, const double, int *);
+int search_rdf_centr (const int, const int *, const int *, const float *, const double, 
+                      const double, const double, int *);
+int search_radf (const int, const int *, const int *, const float *, const double, 
+                 const double, const double, const double, const double, const double, 
+                 int *);
+
+#endif /* RADF_H */

mathmech/mm/include/mathmech/radf_proc.h

@@ -0,0 +1,16 @@
+/**
+ * @file
+ */
+
+#ifndef RADF_PROC_H
+#define RADF_PROC_H
+
+/**
+ * @fn print_result
+ */
+
+int print_result (const char *, const int, const int, const int, const int, const double, 
+                  const double, const double, const double, const double, const double, 
+                  const float *, const int *);
+
+#endif /* RADF_PROC_H */

mathmech/mm/include/mathmech/read_agl.h

@@ -0,0 +1,14 @@
+/**
+ * @file
+ */
+
+#ifndef READ_AGL_H
+#define READ_AGL_H
+
+/**
+ * @fn reading_agl
+ */
+
+int reading_agl (const char *, int *, char *, int *);
+
+#endif /* READ_AGL_H */

mathmech/mm/include/mathmech/read_gmx.h

@@ -0,0 +1,19 @@
+/**
+ * @file
+ */
+
+#ifndef READ_GMX_H
+#define READ_GMX_H
+
+/**
+ * @fn translate_coords
+ */
+/**
+ * @fn rw_gmx
+ */
+
+int translate_coords (const float, const float, float *);
+int rw_gmx (const char *, const int, const char *, const int, const int *, 
+            const int *, const char *, const int *, float *);
+
+#endif /* READ_GMX_H */

mathmech/mm/include/mathmech/read_puma.h

@@ -0,0 +1,15 @@
+/**
+ * @file
+ */
+
+#ifndef READ_PUMA_H
+#define READ_PUMA_H
+
+/**
+ * @fn rw_puma
+ */
+
+int rw_puma (const char *, const int, const char *, const int, const int *, 
+             const int *, const char *, const int *, float *);
+
+#endif /* READ_PUMA_H */

mathmech/mm/include/mathmech/select_mol.h

@@ -0,0 +1,14 @@
+/**
+ * @file
+ */
+
+#ifndef SELECT_MOL_H
+#define SELECT_MOL_H
+
+/**
+ * @fn select_molecule
+ */
+
+int select_molecule (const float *, const int, int *);
+
+#endif /* SELECT_MOL_H */

mathmech/mm/include/mathmech/set_center.h

@@ -0,0 +1,14 @@
+/**
+ * @file
+ */
+
+#ifndef SET_CENTER_H
+#define SET_CENTER_H
+
+/**
+ * @fn set_center
+ */
+
+int set_center (const int, const int, const int *, const float *, float *);
+
+#endif /* SET_CENTER_H */

mathmech/mm/include/mathmech/stat_print.h

@@ -0,0 +1,15 @@
+/**
+ * @file
+ */
+
+#ifndef STAT_PRINT_H
+#define STAT_PRINT_H
+
+/**
+ * @fn printing_agl
+ */
+
+int printing_agl (const char *, const char *, const int *, const int, const int *, 
+                  const int *, const int *, const int *, const int,int *);
+
+#endif /* STAT_PRINT_H */

mathmech/mm/include/mathmech/stat_select.h

@@ -0,0 +1,15 @@
+/**
+ * @file
+ */
+
+#ifndef STAT_SELECT_H
+#define STAT_SELECT_H
+
+/**
+ * @fn create_matrix
+ */
+
+int create_matrix (const int, const int, const int *, const int *, const float *, 
+                   const int, const float *, int *);
+
+#endif /* STAT_SELECT_H */

mathmech/mm/include/mathmech/stat_sort.h

@@ -0,0 +1,14 @@
+/**
+ * @file
+ */
+
+#ifndef STAT_SORT_H
+#define STAT_SORT_H
+
+/**
+ * @fn proc_matrix
+ */
+
+int proc_matrix (const int, const int *, int *, int *, int *, int *);
+
+#endif /* STAT_SORT_H */

mathmech/mm/include/mathmech/summary_stat.h

@@ -0,0 +1,15 @@
+/**
+ * @file
+ */
+
+#ifndef SUMMARY_STAT_H
+#define SUMMARY_STAT_H
+
+/**
+ * @fn summary_statistic
+ */
+
+int summary_statistic (const char *, const int, const int, const int, const int *, 
+                       const int *);
+
+#endif /* SUMMARY_STAT_H */