tanimoto.h
/*
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_/ __ \| __) | |/ \ / __ |\_____ \ | \ __\/ __ \
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eFindSite - ligand-binding site prediction from meta-threading
Computational Systems Biology Group
Department of Biological Sciences
Center for Computation & Technology
Louisiana State University
407 Choppin Hall, Baton Rouge, LA 70803, USA
http://www.brylinski.org
Report bugs to michal@brylinski.org
Copyright 2013 Michal Brylinski
This file is part of eFindSite.
eFindSite 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 3 of the License, or
(at your option) any later version.
eFindSite 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 eFindSite. If not, see <http://www.gnu.org/licenses/>.
===============================================================================
*/
#ifndef __TANIMOTO_H_
#define __TANIMOTO_H_
#include<fstream>
#include<iostream>
#include<iomanip>
#include<bitset>
#include "size.h"
using namespace std;
double getTanimoto1024( bitset<MAXSMI> &, bitset<MAXSMI> & );
double getTanimotoAve1024( bitset<MAXSMI> &, bitset<MAXSMI> & );
double getTanimotoCnt1024( bitset<MAXSMI> &, double [] );
double getTanimoto166( bitset<MAXMAC> &, bitset<MAXMAC> & );
double getTanimotoAve166( bitset<MAXMAC> &, bitset<MAXMAC> & );
double getTanimotoCnt166( bitset<MAXMAC> &, double [] );
#endif