diff --git a/Cantera/src/equil/vcs_internal.h b/Cantera/src/equil/vcs_internal.h index 02416278d..36b1924cb 100644 --- a/Cantera/src/equil/vcs_internal.h +++ b/Cantera/src/equil/vcs_internal.h @@ -81,25 +81,51 @@ namespace VCSnonideal { * 3 -> everything */ + //! Class to keep track of time and iterations + /*! + * class keeps all of the counters together. + */ class VCS_COUNTERS { public: - int T_Its; /* Total number of iterations in the main loop - of vcs_TP() to solve for thermo equilibrium */ - int Its; /* Current number of iterations in the main loop - of vcs_TP() to solve for thermo equilibrium */ - int T_Basis_Opts; /* Total number of optimizations of the - components basis set done */ - int Basis_Opts; /* Total number of optimizations of the - components basis set done */ - int T_Calls_Inest; /* Current number of times the initial thermo - equilibrium estimator has been called */ - int T_Calls_vcs_TP; /* Current number of calls to vcs_TP */ - double T_Time_vcs_TP; /* Total time spent in vcs_TP */ - double Time_vcs_TP; /* Current time spent in vcs_TP */ - double T_Time_basopt; /* Total Time spent in basopt () */ - double Time_basopt; /* Current Time spent in basopt () */ - double T_Time_inest; /* Time spent in initial estimator */ - double T_Time_vcs; /* Time spent in the vcs suite of programs */ + //! Total number of iterations in the main loop + //! of vcs_TP() to solve for thermo equilibrium + int T_Its; + + //! Current number of iterations in the main loop + //! of vcs_TP() to solve for thermo equilibrium + int Its; + + //! Total number of optimizations of the + //! components basis set done + int T_Basis_Opts; + + //! number of optimizations of the components basis set done + int Basis_Opts; + + //! Current number of times the initial thermo + //! equilibrium estimator has been called + int T_Calls_Inest; + + //! Current number of calls to vcs_TP + int T_Calls_vcs_TP; + + //! Current time spent in vcs_TP + double T_Time_vcs_TP; + + //! Current time spent in vcs_TP + double Time_vcs_TP; + + //! Total Time spent in basopt + double T_Time_basopt; + + //! Current Time spent in basopt + double Time_basopt; + + //! Time spent in initial estimator + double T_Time_inest; + + //! Time spent in the vcs suite of programs + double T_Time_vcs; }; /*****************************************************************************/ @@ -288,8 +314,34 @@ namespace VCSnonideal { extern int vcs_amax(double *, int, int); extern int vcs_max_int(int *, int); extern void vcs_print_line(const char *, int); - extern void vcs_print_stringTrunc(const char *, int, int); - extern bool vcs_doubleEqual(double, double); + + //! Print a string within a given space limit + /*! + * This routine limits the amount of the string that will be printed to a + * maximum of "space" characters. Printing is done to + * to Cantera's writelog() function. + * + * @param str String, which must be null terminated. + * @param space space limit for the printing. + * @param alignment Alignment of string within the space: + * - 0 centered + * - 1 right aligned + * - 2 left aligned + */ + void vcs_print_stringTrunc(const char *str, int space, int alignment); + + //! Simple routine to check whether two doubles are equal up to + //! roundoff error + /*! + * Currently it's set to check for 10 digits of + * relative accuracy. + * + * @param d1 first double + * @param d2 second double + * + * @return returns true if the doubles are "equal" and false otherwise + */ + bool vcs_doubleEqual(double d1, double d2); /****************************************************************************/ }