Document and clean up do_numbering()

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / readir.h

diff --git a/src/gromacs/gmxpreprocess/readir.h b/src/gromacs/gmxpreprocess/readir.h
index da326072f561a153e057750f08ba40cad8a29059..fef3384e11903f9541b9f477713c5a736b9fa132 100644 (file)
--- a/src/gromacs/gmxpreprocess/readir.h
+++ b/src/gromacs/gmxpreprocess/readir.h
@@ -50,7 +50,7 @@
 namespace gmx
 {
 class MDModules;
-struct MdModulesNotifier;
+struct MDModulesNotifiers;
 } // namespace gmx
 
 struct gmx_mtop_t;
@@ -112,16 +112,18 @@ void init_inputrec_strings();
 /*! \brief Clean up object that holds strings parsed from an .mdp file */
 void done_inputrec_strings();
 
-void check_ir(const char*                   mdparin,
-              const gmx::MdModulesNotifier& mdModulesNotifier,
-              t_inputrec*                   ir,
-              t_gromppopts*                 opts,
-              warninp_t                     wi);
-/* Validate inputrec data.
- * Fatal errors will be added to nerror.
+/*! \brief Performs all validation on \p ir that can be done without index groups and topology
+ *
+ * Any errors, warnings or notes are added to \p wi
  */
-int search_string(const char* s, int ng, char* gn[]);
-/* Returns the index of string s in the index groups */
+void check_ir(const char*                    mdparin,
+              const gmx::MDModulesNotifiers& mdModulesNotifiers,
+              t_inputrec*                    ir,
+              t_gromppopts*                  opts,
+              warninp_t                      wi);
+
+//! Returns the index of string \p s in \p gn or exit with a verbose fatal error when not found
+int search_string(const char* s, int ng, char* const gn[]);
 
 void double_check(t_inputrec* ir, matrix box, bool bHasNormalConstraints, bool bHasAnyConstraints, warninp_t wi);
 /* Do more checks */
@@ -141,13 +143,13 @@ void get_ir(const char*     mdparin,
  * function is called. Also prints the input file back to mdparout.
  */
 
-void do_index(const char*                   mdparin,
-              const char*                   ndx,
-              gmx_mtop_t*                   mtop,
-              bool                          bVerbose,
-              const gmx::MdModulesNotifier& notifier,
-              t_inputrec*                   ir,
-              warninp_t                     wi);
+void do_index(const char*                    mdparin,
+              const char*                    ndx,
+              gmx_mtop_t*                    mtop,
+              bool                           bVerbose,
+              const gmx::MDModulesNotifiers& mdModulesNotifiers,
+              t_inputrec*                    ir,
+              warninp_t                      wi);
 /* Read the index file and assign grp numbers to atoms.
  */