RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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GPFFGold.h
1/***********************************************************************
2 * The rDock program was developed from 1998 - 2006 by the software team
3 * at RiboTargets (subsequently Vernalis (R&D) Ltd).
4 * In 2006, the software was licensed to the University of York for
5 * maintenance and distribution.
6 * In 2012, Vernalis and the University of York agreed to release the
7 * program as Open Source software.
8 * This version is licensed under GNU-LGPL version 3.0 with support from
9 * the University of Barcelona.
10 * http://rdock.sourceforge.net/
11 ***********************************************************************/
12
13// GPFFGold Class. GPFFGold represents a fitness function
14// valid for the CGP. It is used to train with the Gold set.
15
16#ifndef _RBT_GPFFGOLD_H_
17#define _RBT_GPFFGOLD_H_
18
19#include "rxdock/Rand.h"
20#include "rxdock/geneticprogram/GPFitnessFunction.h"
21#include "rxdock/geneticprogram/GPGenome.h"
22#include "rxdock/geneticprogram/GPTypes.h"
23// #include <cmath>
24
25namespace rxdock {
26
27namespace geneticprogram {
28
30public:
31 static const std::string _CT;
32
33 void ReadTables(std::istream &, ReturnTypeArray &, ReturnTypeArray &);
34 double CalculateFitness(GPGenomePtr, ReturnTypeArray &, ReturnTypeArray &,
35 double, bool);
36 double CalculateFitness(GPGenomePtr, ReturnTypeArray &, ReturnTypeArray &,
37 bool);
38};
39
40// Useful typedefs
41typedef SmartPtr<GPFFGold> GPFFGoldPtr; // Smart pointer
42typedef std::vector<GPFFGoldPtr> GPFFGoldList; // Vector of smart pointers
43typedef GPFFGoldList::iterator GPFFGoldListIter;
44typedef GPFFGoldList::const_iterator GPFFGoldListConstIter;
45
46} // namespace geneticprogram
47
48} // namespace rxdock
49
50#endif //_GPFFGold
Definition SmartPointer.h:48
Definition GPFFGold.h:29
Definition GPFitnessFunction.h:29