forked from wcatykid/Graph-Based-Molecular-Synthesis
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Options.h
64 lines (54 loc) · 1.72 KB
/
Options.h
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
/*
* This file is part of esynth.
*
* esynth 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.
*
* esynth 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 esynth. If not, see <http://www.gnu.org/licenses/>.
*/
#ifndef _OPTIONS_GUARD
#define _OPTIONS_GUARD 1
#include <string>
#include <vector>
//
// A aggregation class for options specified in the command-line
//
class Options
{
public:
Options(int, char**);
bool parseCommandLine();
bool AnalyzeEnvironment();
static std::string writerPath;
static std::string shmPath;
std::string outFile;
std::string outFileSMI;
std::string validationFile;
std::vector<std::string> inFiles;
static double TANIMOTO;
static bool THREADED;
static bool SERIAL;
static bool OPENBABEL;
static bool USE_LIPINSKI;
//static unsigned SMI_LEVEL_BOUND;
static unsigned PROBABILITY_PRUNE_LEVEL_START;
static unsigned int OBGEN_THREAD_POOL_SIZE;
static bool SMI_ONLY;
static std::string OUTPUT_DIR_SUFFIX;
private:
int argc;
char** argv;
bool handleOption(int& index);
bool acquireEnvironmentVariable(const std::string& variable,
const std::string& suffix,
std::string& value);
};
#endif