BALL 1.5.0
logP.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4
5#ifndef BALL_LOGP_H
6#define BALL_LOGP_H
7
8#ifndef BALL_COMMON_H
9# include <BALL/common.h>
10#endif
11
13
14namespace BALL
15{
19 {
20 public:
22
24
26 double calculate(const String& usmile);
27
28 private:
29 void addRule(String smarts, double value);
30 std::vector<std::pair<String,double> > rules_;
31
32 MolecularSimilarity* molecular_similarity_;
33
34 };
35
36}
37#endif // BALL_LOGP_H
Definition: constants.h:13
double calculate(const String &usmile)
#define BALL_EXPORT
Definition: COMMON/global.h:50