parse_dpf_line.cc

c++编写的并行拉马克遗传算法的程序。实现分析对接程序

/* parse_dpf_line.cc */

#ifdef sgi
    #include <stdio.h>
    #include <string.h>
    #include <ctype.h>
    #include "parse_dpf_line.h"
#else
    extern "C"
    {
	#include <stdio.h>
	#include <string.h>
	#include <ctype.h>
        #include "parse_dpf_line.h"
    }
#endif



int parse_dpf_line( char line[LINE_LEN] )

/******************************************************************************/
/*      Name: parse_dpf_line                                                  */
/*  Function: Parse the docking parameter file line                           */
/* Copyright: (C) 1994, TSRI                                                  */
/*----------------------------------------------------------------------------*/
/*    Author: Garrett Morris, The Scripps Research Institute                  */
/*      Date: 19/05/94                                                        */
/*----------------------------------------------------------------------------*/
/*    Inputs: line                                                            */
/*   Returns: integer token describing the keyword found.                     */
/*   Globals: none.                                                           */
/*----------------------------------------------------------------------------*/
/* Modification Record                                                        */
/* Date     Inits   Comments                                                  */
/* 06/09/95 RSH     Changed to an array implementation                        */
/* 19/05/94 GMM     Entered code.                                             */
/******************************************************************************/

{
    int j, i, token = DPF_;	       /* return -1 if nothing is recognized. */
    char c[LINE_LEN];
    const int tokentablesize = 84;
    const struct {
       char *lexeme;
       int tokenvalue;
    } tokentable[] = {{"types", DPF_TYPES},
		      {"fld", DPF_FLD},
		      {"map", DPF_MAP},
		      {"move", DPF_MOVE},
		      {"about", DPF_ABOUT},
		      {"tran0", DPF_TRAN0},
		      {"quat0", DPF_QUAT0},
		      {"ndihe", DPF_NDIHE},
		      {"dihe0", DPF_DIHE0},
		      {"torsdof", DPF_TORSDOF},
		      {"tstep", DPF_TSTEP},
		      {"qstep", DPF_QSTEP},
		      {"dstep", DPF_DSTEP},
		      {"trnrf", DPF_TRNRF},
		      {"quarf", DPF_QUARF},
		      {"dihrf", DPF_DIHRF},
		      {"flex", DPF_FLEX},
		      {"intnbp_coeffs", DPF_INTNBP_COEFFS},
		      {"rt0", DPF_RT0},
		      {"rtrf", DPF_RTRF},
		      {"runs", DPF_RUNS},
		      {"cycles", DPF_CYCLES},
		      {"accs", DPF_ACCS},
		      {"rejs", DPF_REJS},
		      {"select", DPF_SELECT},
		      {"outlev", DPF_OUTLEV},
		      {"rmstol", DPF_RMSTOL},
		      {"trjfrq", DPF_TRJFRQ},
		      {"trjbeg", DPF_TRJBEG},
		      {"trjend", DPF_TRJEND},
		      {"trjout", DPF_TRJOUT},
		      {"trjsel", DPF_TRJSEL},
		      {"extnrg", DPF_EXTNRG},
		      {"newcrd", DPF_NEWCRD},
		      {"cluster", DPF_CLUSTER},
		      {"write_all", DPF_CLUSALL},
		      {"write_all_cluster_members", DPF_CLUSALL},
		      {"charmap", DPF_CHARMAP},
		      {"rmsnosym", DPF_RMSNOSYM},
		      {"rmsref", DPF_RMSREF},
		      {"watch", DPF_WATCH},
		      {"linear_schedule", DPF_SCHEDLIN},
		      {"schedule_linear", DPF_SCHEDLIN},
		      {"linsched", DPF_SCHEDLIN},
		      {"schedlin", DPF_SCHEDLIN},
		      {"intelec", DPF_INTELEC},
		      {"seed", DPF_SEED},
		      {"e0max", DPF_E0MAX},
		      {"simanneal", DPF_SIMANNEAL},
		      {"hardtorcon", DPF_HARDTORCON},
		      {"intnbp_r_eps", DPF_INTNBP_REQM_EPS},
		      {"gausstorcon", DPF_GAUSSTORCON},
		      {"barrier", DPF_BARRIER},
		      {"showtorpen", DPF_SHOWTORPEN},
		      {"ga_run", DPF_GALS},
		      {"gals_run", DPF_GALS},
		      {"do_gals", DPF_GALS},
		      {"set_ga", DPF_SET_GA},
		      {"set_sw1", DPF_SET_SW1},
		      {"set_psw1", DPF_SET_PSW1},
		      {"analysis", DPF_ANALYSIS},
		      {"ga_pop_size", GA_pop_size},
		      {"ga_num_generations", GA_num_generations},
		      {"ga_num_evals", GA_num_evals},
		      {"ga_window_size", GA_window_size},
		      {"ga_low", GA_low},
		      {"ga_high", GA_high},
		      {"ga_elitism", GA_elitism},
		      {"ga_mutation_rate", GA_mutation_rate},
		      {"ga_crossover_rate", GA_crossover_rate},
		      {"ga_cauchy_alpha", GA_Cauchy_alpha},
		      {"ga_cauchy_beta", GA_Cauchy_beta},
		      {"sw_max_its", SW_max_its},
		      {"sw_max_succ", SW_max_succ},
		      {"sw_max_fail", SW_max_fail},
		      {"sw_rho", SW_rho},
		      {"sw_lb_rho", SW_lb_rho},
		      {"do_local_only", DPF_LS},
		      {"ls_run", DPF_LS},
		      {"do_global_only", DPF_GS},
		      {"ga_only_run", DPF_GS},
		      {"ls_search_freq", LS_search_freq},
		      {"bin_energies_by_rmsd", DPF_INVESTIGATE},
		      {"investigate", DPF_INVESTIGATE} };

    c[0] = '\0';
    for (j=0; ((line[j]!='\0')&&(line[j]!=' ')&&(line[j]!='\t')&&(line[j]!='\n')); j++) {
	/*  Ignore case */
        c[j] = (char)tolower((int)line[j]);
	/*(void)fprintf(stderr,"%c",c[j]);*/
    }
    /*(void)fprintf(stderr,"/n,j = %d\n",j);*/

    /*  Recognize one character tokens  */

    if ((c[0]=='\n') || (c[0]=='\0')) {
	token = DPF_NULL;
    } else if (c[0]=='#') {
	token = DPF_COMMENT;
    }

    /*  Recognize token strings  */

    for (i=0;  (i < tokentablesize) && (token == DPF_);  i++) {
	/*(void)fprintf(stderr,"i = %d, tokentable[i].lexeme = %s, tokentable[i].value = %d, c = %s\n",i,tokentable[i].lexeme,tokentable[i].tokenvalue,c);*/
	if (strncmp(tokentable[i].lexeme, c, j) == 0) {
	    token = tokentable[i].tokenvalue;
	}
    }
    return(token);
}
/* EOF */