/usr/include/votca/tools/table.h is in libvotca-tools-dev 1.3.0-2+b2.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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* Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
*
*/
#ifndef _TABLE_H
#define _TABLE_H
#include <iostream>
#include <boost/numeric/ublas/vector.hpp>
#include <string>
namespace votca { namespace tools {
using namespace std;
namespace ub = boost::numeric::ublas;
// the entry is invalid, e.g. could not be calculated (ln(0), ...)
#define TBL_INVALID 1
/**
\brief class to store tables like rdfs, tabulated potentials, etc
\think about weather to make this a template, can be used in histogram
as well, of for counting with integeers...
*/
class Table
{
public:
Table() ;
Table(Table &tbl);
~Table() {};
void clear(void);
void GenerateGridSpacing(double min, double max, double spacing);
// void resize(int N, bool preserve=true) { _x.resize(N, preserve); _y.resize(N, preserve); _flags.resize(N, preserve); }
void resize(int N, bool preserve=true);
unsigned int size() const {return _x.size(); }
double &x(int i) { return _x[i]; }
double &y(int i) { return _y[i]; }
char &flags(int i) { return _flags[i]; }
double &yerr(int i) { return _yerr[i]; }
void set(const int &i, const double &x, const double &y) { _x[i] = x; _y[i]=y; }
void set(const int &i, const double &x, const double &y, const char &flags) { _x[i] = x; _y[i]=y; _flags[i] = flags; }
void set(const int &i, const double &x, const double &y, const char &flags, const double &yerr) { _x[i] = x;
_y[i]=y; _flags[i] = flags; _yerr[i] = yerr; }
void set_comment(const string comment) {_has_comment=true; _comment_line = comment;}
void Load(string filename);
void Save(string filename) const;
void Smooth(int Nsmooth);
bool GetHasYErr() { return _has_yerr; }
void SetHasYErr(bool has_yerr) { _has_yerr = has_yerr; }
ub::vector<double> &x() { return _x; }
ub::vector<double> &y() { return _y; }
ub::vector<char> &flags() { return _flags; }
ub::vector<double> &yerr() { return _yerr; }
void push_back(double x, double y, char flags);
const string &getErrorDetails() {
return _error_details;
}
void setErrorDetails(string str) {
_error_details = str;
}
private:
ub::vector<double> _x;
ub::vector<double> _y;
ub::vector<char> _flags;
ub::vector<double> _yerr;
string _error_details;
bool _has_yerr;
bool _has_comment;
friend ostream &operator<<(ostream &out, const Table& v);
friend istream &operator>>(istream &out, Table& v);
string _comment_line;
};
inline Table::Table()
{
_has_yerr = false;
_error_details = "";
}
inline Table::Table(Table &tbl)
{
resize(tbl.size());
_x = tbl._x;
_y = tbl._y;
_flags = tbl._flags;
_has_yerr = tbl._has_yerr;
if (_has_yerr) _yerr = tbl._yerr;
_has_comment = false;
_error_details = "";
}
inline ostream &operator<<(ostream &out, const Table& t)
{
//TODO: use a smarter precision guess, XXX.YYYYY=8, so 10 should be enough
out.precision(10);
if ( t._has_yerr ) {
for(size_t i=0; i<t._x.size(); ++i) {
out << t._x[i] << " " << t._y[i] << " " << t._yerr[i] << " " << t._flags[i] << endl;
}
}
else {
//out << t.size() << endl;
for(size_t i=0; i<t._x.size(); ++i) {
out << t._x[i] << " " << t._y[i] << " " << t._flags[i] << endl;
}
}
return out;
}
// TODO: modify this function to be able to treat _has_yerr == true
inline void Table::push_back(double x, double y, char flags)
{
size_t n=size();
resize(n+1);
_x[n] = x;
_y[n] = y;
_flags[n] = flags;
}
istream &operator>>(istream &in, Table& t);
}}
#endif /* _TABLE_H */
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