git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp
428
tools/pymol_asphere/src/misc.cpp
Executable file
428
tools/pymol_asphere/src/misc.cpp
Executable file
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/***************************************************************************
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misc.cpp
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-------------------
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W. Michael Brown
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Miscellaneous functions that do not deserve their own class
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__________________________________________________________________________
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This file is part of the "All" Library
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__________________________________________________________________________
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begin : May 30 2003
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copyright : (C) 2003 by W. Michael Brown
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email : wmbrown@sandia.gov
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***************************************************************************/
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#include "misc.h"
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void a::copyright(ostream &out, unsigned year) {
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out << "Copyright (" << year << ") Sandia Corporation. Under the terms of "
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<< "Contract\nDE-AC04-94AL85000, there is a non-exclusive license for "
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<< "use of this\nwork by or on behalf of the U.S. Government. Export "
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<< "of this program\nmay require a license from the United States "
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<< "Government.\n";
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}
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// Get the SNL Copyright info as a string
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string a::copyrightstring(unsigned year) {
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return string("Copyright (")+a::itoa(year)+") Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000, there is a non-exclusive license for use of this work by or on behalf of the U.S. Government. Export of this program may require a license from the United States Government.";
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}
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void a::fileopen(ifstream &in, const char *filename, Error &error) {
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in.clear();
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in.open(filename);
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if (!in) {
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error.addwarning(1,15,"Misc",
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"Could not open "+string(filename)+" for input!");
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error.writewarnings();
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}
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}
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void a::fileopen(ifstream &in, const string &filename, Error &error) {
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in.clear();
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in.open(filename.c_str());
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if (!in) {
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error.addwarning(1,15,"Misc",
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"Could not open "+string(filename)+" for input!");
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error.writewarnings();
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}
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}
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void a::fileopenbinary(ifstream &in, const string &filename, Error &error) {
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in.clear();
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in.open(filename.c_str(), ios::binary);
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if (!in) {
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error.addwarning(1,15,"Misc",
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"Could not open "+string(filename)+" for input!");
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error.writewarnings();
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}
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}
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void a::fileopen(ofstream &out, const char *filename, Error &error) {
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out.clear();
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out.open(filename);
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if (!out) {
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error.addwarning(2,15,"Misc",
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"Could not open "+string(filename)+" for output!");
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error.writewarnings();
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}
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}
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void a::fileopen(ofstream &out, const string &filename, Error &error) {
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out.clear();
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out.open(filename.c_str());
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if (!out) {
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error.addwarning(2,15,"Misc",
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"Could not open "+string(filename)+" for output!");
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error.writewarnings();
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}
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}
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void a::fileopenbinary(ofstream &out, const string &filename, Error &error) {
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out.clear();
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out.open(filename.c_str(),ios::binary);
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if (!out) {
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error.addwarning(2,15,"Misc",
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"Could not open "+string(filename)+" for output!");
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error.writewarnings();
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}
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}
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void a::fileopenapp(ofstream &out, const string &filename, Error &error) {
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out.clear();
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out.open(filename.c_str(),ios::app);
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if (!out) {
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error.addwarning(2,15,"Misc",
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"Could not open "+string(filename)+" for output!");
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error.writewarnings();
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}
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}
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void a::fileclose(ifstream &in, Error &error) {
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in.close();
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}
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void a::fileclose(ofstream &out, Error &error) {
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if (out.fail()) {
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error.addwarning(10,15,"Misc","Error writing to output file!");
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error.writewarnings();
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}
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out.close();
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}
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// Put a string back into an istream
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void a::putback(istream &in, const string &s) {
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if (s.size()==0)
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return;
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unsigned i=s.size()-1;
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while (true) {
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in.putback(s[i]);
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if (i==0)
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return;
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i--;
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}
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}
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string a::date() {
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char datestr[40];
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time_t t;
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time(&t);
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strftime(datestr,40,"%B %d, %Y",localtime(&t));
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return string(datestr);
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}
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// Return the filename without the extension
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string a::namewoext(const string &filename) {
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return (filename.substr(0,filename.find_last_of('.')));
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}
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// Return the filename without extension or directory
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string a::filenameonly(const string &filename) {
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// Find the start of the filename
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unsigned start=0;
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if (filename.find_last_of('/')<(filename.length()-1))
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start=filename.find_last_of('/')+1;
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// Find the end of the filename
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unsigned end=filename.find_last_of('.')-start;
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return(filename.substr(start,end));
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}
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// Return the extension of a filename
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string a::extension(const string &filename) {
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// Find the start of the extension
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unsigned start=filename.find_last_of('.')+1;
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if (start>=filename.length())
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return "";
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return filename.substr(start,filename.length()-start);
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}
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// Center a string over the specified length
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string a::strcenter(const string &s, unsigned length) {
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string empty(" ");
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unsigned half=length/2;
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unsigned spacer=half-(s.length()/2)-1;
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return (empty.substr(0,spacer)+s);
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}
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// True if a character is whitespace
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bool a::whitespace(char c) {
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if (c==' ' || c=='\n' || c=='\t' || c=='\f' || c=='\r' || c=='\v')
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return true;
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return false;
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}
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// Check if a string is only whitespace
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bool a::whitespace(const string &s) {
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for (unsigned i=0; i<s.length(); i++)
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if (!whitespace(s[i]))
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return false;
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return true;
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}
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/// Remove all whitespace from a string
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string a::remove_whitespace(const string &s) {
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string n;
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for (unsigned i=0; i<s.length(); i++)
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if (!whitespace(s[i]))
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n+=s[i];
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return n;
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}
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void a::str_replace(const string &source, const string &target, string &s) {
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unsigned slength=source.length();
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unsigned tlength=target.length();
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unsigned loc=0;
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#ifdef DEBUG
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assert(slength>0 && tlength>0);
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#endif
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while (true) {
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if (loc>=s.length())
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break;
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loc=s.find(source,loc);
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if (loc>=s.length())
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break;
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s.replace(loc,slength,target,0,tlength);
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loc+=tlength;
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}
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}
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/// Convert all alpha characters to lower case
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string a::tolower(const string &s) {
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string r="";
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for (unsigned i=0; i<s.length(); i++)
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r+=std::tolower(s[i]);
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return r;
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}
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// Return a string of num underscores
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string a::underline(unsigned num) {
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return string(num,'_');
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}
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// The tokens parsed from cstring are \e added to the input vector
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void a::get_tokens(const char *line, vector<string> &tokens) {
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string sline=line;
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get_tokens(sline,tokens);
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}
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void a::get_tokens(const string &sline, vector<string> &tokens) {
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string token="";
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unsigned i=0;
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while (i<sline.length()) {
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if (whitespace(sline[i])) {
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i++;
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continue;
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}
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while (i<sline.length()) {
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if (whitespace(sline[i])) {
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tokens.push_back(token);
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token="";
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break;
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}
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token+=sline[i];
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i++;
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}
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}
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if (token!="")
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tokens.push_back(token);
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}
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// Return the first token in a string
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string a::get_first_token(const char *line) {
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string sline=line;
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string token="";
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unsigned i=0;
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while (i<sline.length()) {
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if (whitespace(sline[i])) {
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i++;
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continue;
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}
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while (i<sline.length()) {
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if (whitespace(sline[i]))
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return token;
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token+=sline[i];
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i++;
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}
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}
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return token;
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}
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void a::get_tokens(char delimiter, const string &sline,vector<string> &tokens) {
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string token="";
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unsigned i=0;
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while (i<sline.length()) {
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if (delimiter==sline[i]) {
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tokens.push_back(token);
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token="";
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} else
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token+=sline[i];
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i++;
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}
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if (token!="")
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tokens.push_back(token);
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}
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// Format a string to fit within a specified column width
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void a::format_fit(unsigned column_width, const string &input,
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vector<string> &output) {
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vector<string> forced;
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a::get_tokens('\n',input,forced);
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for (unsigned i=0; i<forced.size(); i++) {
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string current_line;
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vector<string> tokens;
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a::get_tokens(forced[i],tokens);
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for (unsigned j=0; j<tokens.size(); j++) {
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if (current_line.length()+tokens[j].length()<column_width) {
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current_line+=tokens[j]+' ';
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} else {
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if (tokens[j].length()+1>column_width) {
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unsigned this_count=column_width-current_line.length();
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current_line+=tokens[j].substr(0,this_count);
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output.push_back(current_line);
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current_line="";
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tokens[j]=tokens[j].substr(this_count,tokens[j].length()-this_count);
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j--;
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} else {
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output.push_back(current_line);
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current_line=tokens[j]+' ';
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}
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}
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}
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output.push_back(current_line);
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}
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return;
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}
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string a::itoa(unsigned i) {
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ostringstream o;
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o << i;
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return o.str();
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}
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string a::itoa(int i) {
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ostringstream o;
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o << i;
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return o.str();
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}
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string a::ftoa(double i) {
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ostringstream o;
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o << i;
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return o.str();
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}
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// Seed the random number generator
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void a::seedrandom(unsigned seed) {
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srand(seed);
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}
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// Seed the random number generator with the current time
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void a::seedrandom_time() {
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srand(unsigned(time(0))); //+getpid());
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}
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// Return an integer between 0 and max
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double a::frandom(double max) {
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return double(rand())/double(RAND_MAX)*max;
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}
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// Return an integer between 0 and max
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unsigned a::irandom(unsigned max) {
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return unsigned(double(rand())/double(RAND_MAX)*max);
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}
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// Return an integer between 0 and max
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long a::lrandom(long max) {
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return long(double(rand())/double(RAND_MAX)*max);
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}
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// Empty constructer with no header, no extension, no lead zeros
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FileIterator::FileIterator() {
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file_num=0;
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digits=0;
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header="";
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extension="";
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}
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// Specify the filename format with leading zeros
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FileIterator::FileIterator(const string &h,const string &e,unsigned d) {
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file_num=0;
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digits=d;
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header=h;
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extension=e;
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}
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// Specify the filename format without leading zeros
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FileIterator::FileIterator(const string &h,const string &e) {
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digits=0;
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file_num=0;
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header=h;
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extension=e;
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}
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// Set the current file number
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void FileIterator::set_file_num(unsigned fnum) {
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file_num=fnum;
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}
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// Set the file header
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void FileIterator::set_file_header(const string &head) {
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header=head;
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}
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// Set the file extension
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void FileIterator::set_file_extensions(const string &ext) {
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extension=ext;
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}
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// Set the number of leading zeros
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void FileIterator::set_lead_zeros(unsigned digs) {
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digits=digs;
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}
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// Set the current file number, header, extension, leading zeros
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void FileIterator::set(unsigned fnum, const string &head, const string &ext,
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unsigned digs) {
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file_num=fnum;
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header=head;
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extension=ext;
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digits=digs;
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}
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string FileIterator::nextfilename() {
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// Get an output filename from a string
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string filename;
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filename=a::itoa(file_num);
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while (filename.length()<digits)
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filename='0'+filename;
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file_num++;
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return header+filename+extension;
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}
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