resfile_error.cpp

Example program for handling errors in the Mascot results files.

/*
##############################################################################
# file: resfile_error.cpp                                                    #
# 'msparser' toolkit example code                                            #
##############################################################################
# COPYRIGHT NOTICE                                                           #
# Copyright 1998-2005 Matrix Science Limited  All Rights Reserved.           #
#                                                                            #
##############################################################################
#    $Source: parser/examples/test_cxx/resfile_error.cpp $ #
#     $Author: robertog@matrixscience.com $                                                      #
#       $Date: 2024-09-04 10:23:46 +0100 $                                         #
#   $Revision: 526921a73137894bb1eae0b0fc8ccb4bb52ea662 | MSPARSER_REL_3_1_0-2025-07-27-0-gea47708fac $                                                         #
# $NoKeywords::                                                            $ #
##############################################################################
*/
#include "msparser.hpp"
 
#include <iostream>
#include <time.h>
#include <iomanip>
 
 
// All the classes are part of the matrix_science namespace
using namespace matrix_science;
 
 
/*****************************************************************************/
/* Local functions                                                           */
/* (This test harness is 'C' and not C++)                                    */
/*****************************************************************************/
static void checkErrorHandler(ms_mascotresfilebase & file);
 
/*****************************************************************************/
/* main                                                                      */
/* Call this program with a single argument - the name of the .dat file      */
/*****************************************************************************/
int main(int argc, char * argv[])
{
    if (argc == 2)
    {
        ms_mascotresfilebase file = ms_mascotresfilebase::createResfile(argv[1]);
 
        if (file.isValid())
        {
            checkErrorHandler(file);
        }
        else
            std::cout << "Error: " << file.getLastErrorString() << std::endl;
    }
    else 
        std::cout << "Must supply the name of a .dat file as a command line argument" << std::endl;
    return 0;
}
 
 
 
/*****************************************************************************/
/* checkErrorHandler                                                         */
/* Calls a couple of functions with invalid arguments                        */
/*****************************************************************************/
static void checkErrorHandler(ms_mascotresfilebase & file)
{
    std::cout << "Testing the error handling...            "      << std::endl;
    std::cout << "========================================="      << std::endl;
 
    int numQueries = file.getNumQueries();
 
    file.getObservedCharge(numQueries + 40);  // Should fail
    std::cout << "Error number: " << file.getLastError()           << std::endl;
    std::cout << "Error string: " << file.getLastErrorString()     << std::endl;
 
    file.clearAllErrors();
    std::cout << "Cleared all errors - should have no errors left: "
              << file.getNumberOfErrors() 
              << " errors left"
              << std::endl << std::endl;
 
    for (int x=1; x <= 20; x++)
        file.getObservedCharge(numQueries + x);  // Should fail
 
    // Now, the best way, print out all errors.
    std::cout << "More errors added - there are now "
              << file.getNumberOfErrors()
              << " errors"
              << std::endl;
 
    for (int i=1; i <= file.getNumberOfErrors(); i++)
    {
        std::cout << "Error number: "
                  << file.getErrorNumber(i)
                  << " : "
                  << file.getErrorString(i)
                  << std::endl;
    }
 
    std::cout << std::endl;
    file.clearAllErrors();
}
 
 
 
/*
will give the output: 
 
# resfile_error_handling F981123.dat
 
Testing the error handling...
=========================================
Error number: 4
Error string: c:\inetpub\mascot\data\F981123.dat. Query out of range. 
In function getObservedCharge. Request query 44, num queries: 4
Cleared all errors - should have no errors left: 0 errors left
 
More errors added - there are now 2 errors
Error number: 4 : c:\inetpub\mascot\data\F981123.dat. Query out of range. In function 
getObservedCharge. Request query 5, num queries: 4
Error number: 4 : c:\inetpub\mascot\data\F981123.dat. Query out of range. In function 
getObservedCharge. Request query 6, num queries: 4 (Error repeated 19 times)
 
*/