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