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dpftoken.h
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dpftoken.h
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/*
$Id: dpftoken.h,v 1.37 2020/05/21 15:35:50 mp Exp $
AutoDock
Copyright (C) 2009 The Scripps Research Institute. All rights reserved.
AutoDock is a Trade Mark of The Scripps Research Institute.
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License
as published by the Free Software Foundation; either version 2
of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
*/
/******************************************************************************
* Name: dpftoken.h *
* Function: Define tokens for parsing DPFs (docking parameter files) *
*Copyright (C) 2009 The Scripps Research Institute. All rights reserved.
*----------------------------------------------------------------------------*
* 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
enum DpfTokens {
DPF_UNKNOWN = -1,
DPF_NULL = 0,
DPF_COMMENT ,
DPF_BLANK_LINE ,
DPF_FLD ,
DPF_MAP ,
DPF_MOVE ,
DPF_ABOUT ,
DPF_TRAN0 ,
DPF_AXISANGLE0 ,
DPF_NDIHE ,
DPF_DIHE0 ,
DPF_TSTEP ,
DPF_QSTEP ,
DPF_DSTEP ,
DPF_TRNRF ,
DPF_QUARF ,
DPF_DIHRF ,
DPF_FLEX ,
DPF_INTNBP_COEFFS ,
DPF_RT0 ,
DPF_RTRF ,
DPF_RUNS ,
DPF_CYCLES ,
DPF_ACCS ,
DPF_REJS ,
DPF_SELECT ,
DPF_OUTLEV ,
DPF_RMSTOL ,
DPF_TRJFRQ ,
DPF_TRJBEG ,
DPF_TRJEND ,
DPF_TRJOUT ,
DPF_TRJSEL ,
DPF_EXTNRG ,
DPF_CLUSTER ,
DPF_CLUSALL ,
DPF_RMSNOSYM ,
DPF_SCHEDGEOMETRIC ,
DPF_SCHEDLIN ,
DPF_RMSREF ,
DPF_INTELEC ,
DPF_SEED ,
DPF_INTNBP_REQM_EPS ,
DPF_WATCH ,
DPF_GAUSSTORCON ,
DPF_BARRIER ,
DPF_SHOWTORPEN ,
DPF_HARDTORCON ,
DPF_E0MAX ,
DPF_CHARMAP ,
DPF_RAMP_VDW_REPULSION ,
DPF_SIMANNEAL ,
DPF_GALS ,
DPF_SET_GA ,
DPF_SET_SW1 ,
DPF_SET_PSW1 ,
GA_pop_size ,
GA_num_generations ,
GA_num_evals ,
GA_window_size ,
GA_low ,
GA_high ,
GA_elitism ,
GA_mutation_rate ,
GA_crossover_rate ,
GA_Cauchy_alpha ,
GA_Cauchy_beta ,
SW_max_its ,
SW_max_succ ,
SW_max_fail ,
SW_rho ,
SW_lb_rho ,
LS_search_freq ,
DPF_LS ,
DPF_GS ,
DPF_ANALYSIS ,
DPF_TORSDOF ,
DPF_INVESTIGATE ,
DPF_LIG_NOT_INHIB ,
DPF_HOLLOW_OUT ,
DPF_COLINY ,
DPF_INCLUDE_1_4_INTERACTIONS ,
DPF_PARAMETER_LIBRARY ,
DPF_LIGAND_TYPES ,
DPF_UNBOUND ,
DPF_EPDB ,
DPF_TERMINATION ,
GA_CROSSOVER_MODE ,
DPF_POPFILE ,
DPF_SET_PATTERN ,
DPF_COMPUTE_UNBOUND_EXTENDED ,
DPF_FLEXRES ,
DPF_ELECMAP ,
DPF_DESOLVMAP ,
DPF_UNBOUND_INTNBP_COEFFS ,
DPF_RMSATOMS ,
DPF_CONFSAMPLER ,
DPF_REORIENT ,
DPF_QUATERNION0 ,
DPF_COPYRIGHT ,
DPF_WARRANTY ,
DPF_QUAT0 ,
DPF_PARAMETER_VERSION ,
DPF_UNBOUND_MODEL ,
PSW_TRANS_SCALE ,
PSW_ROT_SCALE ,
PSW_TORS_SCALE ,
GA_PROPORTIONAL_SELECTION ,
GA_TOURNAMENT_SELECTION ,
GA_BOLTZMAN_SELECTION ,
PSO_W_START , // the initializers are unnecessary so...
PSO_W_END ,
PSO_TVMAX ,
PSO_QVMAX ,
PSO_RVMAX ,
PSO_C1 ,
PSO_C2 ,
PSO_K ,
PSO_NEIGHBORS_DYNAMIC ,
PSO_NEIGHBORS_SYMMETRIC ,
PSO_RANDOM_BY_DIMENSION ,
PSO_ADAPTIVE_VELOCITY ,
DPF_PSO_CONSTRICTION , //this is the no longer supported PSO implemented in autodock so far (5/2011)
PSO_REGENERATE_AT_LIMIT ,
PSO_STAGE2CONSTRICTION ,
PSO_INTERPOLATE_AS_SCALARS ,
DPF_PSO_SSM ,
DPF_PARSWARMOPT , //this is the current PSO implemented in autodock (7/2011)
GA_LINEAR_RANKING_SELECTION ,
DPF_RMSMODE ,
DPF_SCALE_EINTERMOL ,
DPF_OUTPUT_POP_STATS ,
DPF_OUTPUT_RESNUM_AS ,
DPF_SMOOTH ,
DPF_TARGETFILE ,
DPF_TARGETFILE_CLOSE ,
};
#endif
/* EOF */