/* This function add array of strings (passed as string) to a sentence */
sentence add_strings(sentence& temp_entry, const string l) {
sentence temp=split(l);
s_type mm;
if (temp.size()!=0)
for (mm=0;mm!=temp.size();mm++)
temp_entry.push_back(temp[mm]);
else
return temp_entry;
return temp_entry;
}
/*This function reads the data from the input files*/
void read_input(int argc, char** argv, sentence& sf,string& analysisfile) {
filedata a;
int success_filecounter=0;
int leave_index=0;
// Read the data into the file.
for (int i=1; i<argc; ++i) {
if (!strcmp(argv[i],"-leave")) {
leave_index=atoi(argv[i+1]);
i++;
continue;
}
if (!strcmp(argv[i],"-analysis")) {
analysisfile=argv[i+1];
i++;
continue;
}
ifstream in(argv[i]);
if (in) {
sf.push_back(argv[i]);
cout << "Reading file : " << argv[i] << endl;
if (a.size())
a.clear();
readlogfile_multi(a,in,leave_index);
f.push_back(a);
in.close();
success_filecounter++;
} else {
cerr << "Cannot open file: " << argv[i] << endl;
}
}
if(!success_filecounter)
exit(1);
else {
sentence aa;
int exists;
cout << endl;
cout << "Select parameters to plot from following: --- " << endl;
for (int i=0;i<success_filecounter;i++) {
for(int j=0;j<f[i][0].size();j++) {
exists=0;
for(int k=0;k!=aa.size();k++)
if (!f[i][0][j].compare(aa[k])) {
exists=1;
break;
}
if (!exists)
aa.push_back(f[i][0][j]);
}
}
for(int k=0;k!=aa.size();k++) {
if (!aa[k].compare("Temp")) aa[k].replace(0,aa[k].length(),"Temp(t)");
if (!aa[k].compare("Press")) aa[k].replace(0,aa[k].length(),"Press(p)");
if (!aa[k].compare("Volume")) aa[k].replace(0,aa[k].length(),"Volume(v)");
if (!aa[k].compare("E_vdwl")) aa[k].replace(0,aa[k].length(),"E_vdwl(vd)");
if (!aa[k].compare("TotEng")) aa[k].replace(0,aa[k].length(),"TotEng(te)");
if (!aa[k].compare("KinEng")) aa[k].replace(0,aa[k].length(),"KinEng(ke)");
if (!aa[k].compare("PotEng")) aa[k].replace(0,aa[k].length(),"PotEng(pe)");
if (!aa[k].compare("E_bond")) aa[k].replace(0,aa[k].length(),"E_bond(be)");
if (!aa[k].compare("E_angle")) aa[k].replace(0,aa[k].length(),"E_angle(ae)");
if (!aa[k].compare("E_dihed")) aa[k].replace(0,aa[k].length(),"E_dihed(de)");
if (!aa[k].compare("E_coul")) aa[k].replace(0,aa[k].length(),"E_coul(ce)");
if (!aa[k].compare("E_long")) aa[k].replace(0,aa[k].length(),"E_long(le)");
cout << aa[k];
if (aa[k].size()<8) cout << "\t";
cout << "\t";
if (k%6==5) cout << endl;
}
cout << "\n--------------\n\n";
cout << "Please enter your parameters in the following format: --- " << endl;
cout << "1. First string should be 'p' or 's' for plotting parameters from different files in parallel or series" << endl;
cout << "2. Please enter one or more parameters listed above after entering the first string." << endl;
cout << "3. For certain parameters, short forms may be used as listed in bracket above" << endl;
cout << " ----- Example: To plot total energy, please type 'p te'." << endl;
cout << "4. In order to plot one parameter with respect to other, please type 'cross' after p/s followed by two parameters" << endl;
cout << "5. The independent parameter could be 'Step' as mentioned above." << endl;
cout << "6. Currently, only two parameters can be plotted with respect to each other." << endl;
cout << " ----- Example: To plot temperature vs. pressure p cross t p" << endl ;
cout << "--------------\n\n";
cout << "For analysis, please exit and use -analysis flag with filename. The file should contain atleast one of these commands: --- " << endl;
cout << "1. average all/single_filename startvalue(start) endvalue(end)" << endl;
cout << "2. scale filename property factor" << endl;
cout << "3. inverse filename property" << endl;
cout << "4. write Under Coding" << endl;
cout << "5. subtract property1 property2 filename outputpropertyname" << endl;
cout << "6. add Under Coding" << endl;
cout << "--------------\n\n";
}
}
