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hybrids.h
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hybrids.h
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/*
$Id: hybrids.h,v 1.23 2014/06/12 01:44:07 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.
*/
/*******************************************************************************
Due to the fact that *.c files are compiled differently than *.cc
(because of the mangled C++ names), this is a separate header file
that serves much the same purpose as other prototypes headers.
2/6/96 rsh
Can get rid of the individual #if-#endif brackets around the fcns.
*******************************************************************************/
#include "constants.h"
#ifndef _STRUCTS_H
#include "structs.h"
#endif
#include "gs.h"
#include "ls.h"
#include "support.h"
#include <stdio.h>
#ifndef CALL_GLSS
#define CALL_GLSS
State call_glss(Global_Search *const global_method, Local_Search *const local_method,
const State& now, const unsigned int num_evals, const unsigned int pop_size,
const int outlev, FILE *logFile, const Output_pop_stats& extOutput_pop_stats, Molecule *const mol,
Eval *const evaluate,
const Boole B_RandomTran0, const Boole B_RandomQuat0, const Boole B_RandomDihe0,
const GridMapSetInfo *const info, const char *const FN_pop_file,
/* not const */ int end_of_branch[MAX_TORS]);
Representation **generate_R(int num_torsions, GridMapSetInfo *info );
Representation **generate_R_quaternion(int num_torsions, GridMapSetInfo *info );
Genotype generate_Gtype(const int num_torsions, const GridMapSetInfo *const info, int outlev, FILE *logFile);
Phenotype generate_Ptype(const int num_torsions, const GridMapSetInfo *const info, Eval *evaluate, int outlev, FILE *logFile);
Individual random_ind(const int num_torsions, const GridMapSetInfo *const info, Eval *evaluate, int outlev, FILE *logFile );
#endif
#ifndef CALL_GLSS_TORS
#define CALL_GLSS_TORS
/* currently unused in AutoDock 2014: ***
State call_glss_tors(Global_Search *const global_method, Local_Search *const local_method,
const State& now, const unsigned int num_evals, const unsigned int pop_size,
const int outlev, FILE *logFile, const Output_pop_stats& extOutput_pop_stats, Molecule *const mol,
const Boole B_RandomDihe0,
const GridMapSetInfo *const info, const char *const FN_pop_file);
Representation **generate_R_tors(int num_torsions, GridMapSetInfo *info );
Genotype generate_Gtype_tors(int num_torsions, GridMapSetInfo *info );
Phenotype generate_Ptype_tors(int num_torsions, GridMapSetInfo *info );
Individual random_ind_tors(const int num_torsions, const GridMapSetInfo *const info );
***/
#endif
#ifndef CALL_LS
#define CALL_LS
State call_ls(Local_Search *local_method, const State& now, unsigned int pop_size, Molecule *mol, Eval *evaluate, int outlev, FILE *logFile);
#endif
#ifndef CALL_GS
#define CALL_GS
State call_gs(Global_Search *global_method, State& now, unsigned int num_evals, unsigned int pop_size,
Molecule *mol,
Output_pop_stats& extOutput_pop_stats,
GridMapSetInfo *info,
int end_of_branch[MAX_TORS],
int outlev,
FILE * logFile);
#endif
#ifndef CALL_PSO
#define CALL_PSO
//State call_cpso(Local_Search *const local_method, const State& sInit, const int n_exec, const int S, const int D,
// double *const xmin, double *const xmax, const unsigned int num_evals, const int K,
// ConstDouble c1, ConstDouble c2, const int outlev);
#endif
#ifndef MMM
#define MMM
void minmeanmax( FILE *const fp, const Population &pop, const int num_its, const GridMapSetInfo *const info );
#endif