File: RDKitSVSettings.cc

package info (click to toggle)
rdkit 202009.4-1
  • links: PTS, VCS
  • area: main
  • in suites: bullseye
  • size: 129,624 kB
  • sloc: cpp: 288,030; python: 75,571; java: 6,999; ansic: 5,481; sql: 1,968; yacc: 1,842; lex: 1,254; makefile: 572; javascript: 461; xml: 229; fortran: 183; sh: 134; cs: 93
file content (51 lines) | stat: -rw-r--r-- 1,343 bytes parent folder | download | duplicates (3)
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
//
// file RDKitSVSettings.cc
// David Cosgrove
// AstraZeneca
// 4th July 2014
//

#include "RDKitSVSettings.H"

#include <boost/program_options/cmdline.hpp>
#include <boost/program_options/options_description.hpp>
#include <boost/program_options/parsers.hpp>
#include <boost/program_options/variables_map.hpp>

#include <iostream>

using namespace std;
namespace po = boost::program_options;

// *****************************************************************************
RDKitSVSettings::RDKitSVSettings( int argc , char **argv ) {

  po::options_description desc( "Allowed Options" );
  build_program_options( desc );

  po::variables_map vm;
  po::store( po::parse_command_line( argc , argv , desc ) , vm );
  po::notify( vm );

  if( vm.count( "help" ) ) {
    cout << desc << endl;
    exit( 1 );
  }

  ostringstream oss;
  oss << desc;
  usage_text_ = oss.str();

}

// *****************************************************************************
void RDKitSVSettings::build_program_options( po::options_description &desc ) {

  desc.add_options()
      ( "help" , "Produce this help text." )
      ( "molecule-file,M" , po::value<vector<string> >( &mol_files_ ) ,
        "Name of file containing molecules." )
      ( "smarts-file,S" , po::value<string>( &smarts_file_ ) ,
        "Name of file containing SMARTS strings." );

}