dpftoken.h

c++编写的并行拉马克遗传算法的程序。实现分析对接程序

/* dpftoken.h */

/******************************************************************************
 *      Name: dpftoken.h                                                      *
 *  Function: Define tokens for parsing DPFs (docking parameter files)        *
 * Copyright: (C) Garrett Matthew Morris, TSRI                                *
 *----------------------------------------------------------------------------*
 *    Author: Garrett Matthew Morris, The Scripps Research Institute          *
 *      Date: 02/28/1995                                                      *
 *----------------------------------------------------------------------------*
 *    Inputs: none                                                            *
 *   Returns: nothing                                                         *
 *   Globals: none                                                            *
 *----------------------------------------------------------------------------*
 * Modification Record                                                        *
 * Date     Inits   Comments                                                  *
 * 09/06/95 RSH     GA/SW tokens added                                        *
 * 02/28/95 GMM     This header added                                         *
 ******************************************************************************/

#ifndef DPF_TOKENS
#define DPF_TOKENS

#define	DPF_		-1
#define	DPF_NULL	 0
#define	DPF_COMMENT	 1
#define	DPF_TYPES	 2
#define	DPF_FLD		 3
#define	DPF_MAP		 4
#define	DPF_MOVE	 5
#define	DPF_ABOUT	 6
#define	DPF_TRAN0	 7
#define	DPF_QUAT0	 8
#define	DPF_NDIHE	 9
#define	DPF_DIHE0	10
#define	DPF_TSTEP	11
#define	DPF_QSTEP	12
#define	DPF_DSTEP	13
#define	DPF_TRNRF	14
#define	DPF_QUARF	15
#define	DPF_DIHRF	16
#define	DPF_FLEX	17
#define	DPF_INTNBP_COEFFS	18
#define	DPF_RT0		19
#define	DPF_RTRF	20
#define	DPF_RUNS	21
#define	DPF_CYCLES	22
#define	DPF_ACCS	23
#define	DPF_REJS	24
#define	DPF_SELECT	25
#define	DPF_OUTLEV	26
#define	DPF_RMSTOL	27
#define	DPF_TRJFRQ	28
#define	DPF_TRJBEG	29
#define	DPF_TRJEND	30
#define	DPF_TRJOUT	31
#define	DPF_TRJSEL	32
#define	DPF_EXTNRG	33
#define	DPF_NEWCRD	34
#define	DPF_CLUSTER	35
#define	DPF_CLUSALL	36
#define	DPF_RMSNOSYM	37
#define	DPF_SCHEDLIN	38
#define	DPF_RMSREF	39
#define	DPF_INTELEC	40
#define	DPF_SEED	41
#define	DPF_INTNBP_REQM_EPS	42
#define	DPF_WATCH	43
#define	DPF_GAUSSTORCON	44
#define	DPF_BARRIER	45
#define	DPF_SHOWTORPEN	46
#define	DPF_HARDTORCON	47
#define	DPF_E0MAX	48
#define	DPF_CHARMAP	49
#define	DPF_RAMP_VDW_REPULSION 50
#define	DPF_SIMANNEAL	51
#define	DPF_GALS	52
#define DPF_SET_GA	53
#define DPF_SET_SW1	54
#define DPF_SET_PSW1	55
#define GA_pop_size	56
#define GA_num_generations	57
#define GA_num_evals	58
#define GA_window_size	59
#define GA_low		60
#define GA_high		61
#define GA_elitism	62
#define GA_mutation_rate	63
#define GA_crossover_rate	64
#define GA_Cauchy_alpha	65
#define GA_Cauchy_beta	66
#define SW_max_its	67
#define SW_max_succ	68
#define SW_max_fail	69
#define SW_rho		70
#define SW_lb_rho	71
#define LS_search_freq	72
#define DPF_LS		73
#define DPF_GS		74
#define	DPF_ANALYSIS	75
#define	DPF_TORSDOF	76
#define	DPF_INVESTIGATE	77

#endif