main.cc

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/*                                                                            */
/*                           ----  SPARTA   ----                              */
/*     Shifts Prediction from Analogue of Residue type and Torsion Angle      */
/*                           Yang Shen and Ad Bax                             */
/*                    J. Biomol. NMR, 38, 289-302 (2007)                      */
/*                 NIH, NIDDK, Laboratory of Chemical Physics                 */
/*                     version, 1.00 (build 2010.0607.00)                     */
/*                                                                            */
/*                      for any problem, please contact                       */
/*                          shenyang@niddk.nih.gov                            */
/*                                                                            */
/******************************************************************************/

#include "SPARTA.h"
#include "time.h"
#include <sys/timeb.h>


int main( int argc, char ** argv )
{
  string argList;
  bool time = true;
  SPARTA sparta;

  if(argc == 1) {
    sparta.printSyntax();
  }

  for(int i = 1; i < argc; i++){
    argList+= (" ");
    argList+= (argv[i]);
  }

  vector<string> fields = GDB::split(" -", argList);


  map<string, string> argments;
  for(int i = 0; i < fields.size(); i++)
  {
    vector<string> temp;
    int pos = fields[i].find_first_of(' ');
    temp.push_back( fields[i].substr(0,pos) );
    temp.push_back( fields[i].substr(pos+1,fields[i].length()-pos-1 ));
    string arg = PDB::simplifyWhiteSpace(temp[1]);

    vector<string>::iterator it = find(sparta.argList.begin(), sparta.argList.end(), temp[0]);
    if( it == sparta.argList.end() ) //not an valid argument
    {
      cerr << "Invaid arg name -" << temp[0] << endl;
      exit(0);
    }

    if( temp[0] == "oldsparta" ) arg = "true";
    else if( temp[0] == "notime" ) time = false;

    argments[ temp[0] ] = arg;

  }

  clock_t start, finish;
  start = clock();

  sparta.setArgs(argments);

  if( argments["oldsparta"].length() > 0 )
    sparta.runPredict();
  else if( argments["ins"].length() > 0 )
    sparta.runANN_Predictions();
  else
    sparta.runANN_Prediction();

  finish = clock();
  if( time )
        cout << "\tRunning time: " << (float)(finish - start)/ CLOCKS_PER_SEC << " seconds" << endl;
}