Read in the masses file.
/* ############################################################################## # file: config_masses.cpp # # 'msparser' toolkit example code # ############################################################################## # COPYRIGHT NOTICE # # Copyright 1998-2005 Matrix Science Limited All Rights Reserved. # # # ############################################################################## # $Source: parser/examples/test_cxx/config_masses.cpp $ # # $Author: villek@matrixscience.com $ # # $Date: 2018-07-30 16:23:53 +0100 $ # # $Revision: 1b450440f9c97e1e41d0fc6016a27d68951d4532 | MSPARSER_REL_2_8_1-0-gea32989045 $ # # $NoKeywords:: $ # ############################################################################## */ #include "msparser.hpp" #include <iostream> // All the classes are part of the matrix_science namespace using namespace matrix_science; int main(int argc, char * argv[]) { if ( argc < 2 ) { std::cout << "The location of masses file has to be specified as a parameter" << std::endl; std::cout << "The location should either be the full path to the masses file" << std::endl; std::cout << "or a URL to a Mascot server - e.g. http://mascot-server/mascot/cgi" << std::endl; return 1; } // A sessionID can optionally be passed as the second parameter // This will only be required if the 'file' is a URL ms_connection_settings cs; if (argc > 2) { cs.setSessionID(argv[2]); } ms_masses file(argv[1], &cs); if ( !file.isValid() ) { std::cout << "There are errors. Cannot continue. The last error description:" << std::endl; std::cout << file.getLastErrorString() << std::endl; return 1; } std::cout << "Average amino acid masses as read from 'masses' file:" << std::endl; int i; for(i='A'; i <= 'Z'; i++) { std::cout << (char)i << ": " << file.getResidueMass(MASS_TYPE_AVE, i) << std::endl; } return 0; } /* will give the output, for instance: # config_masses ../config/masses Average amino acid masses as read from 'masses' file: A: 71.0788 B: 114.596 C: 103.139 D: 115.089 E: 129.116 F: 147.177 G: 57.052 H: 137.141 I: 113.159 J: 0 K: 128.172 L: 113.159 M: 131.193 N: 114.104 O: 0 P: 97.1167 Q: 128.131 R: 156.188 S: 87.0782 T: 101.105 U: 150.034 V: 99.1326 W: 186.213 X: 111 Y: 163.176 Z: 128.623 */
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