| 1 | /*
 | 
|---|
| 2 |  * writeDistanceEnergyTable.hpp
 | 
|---|
| 3 |  *
 | 
|---|
| 4 |  *  Created on: Nov 20, 2012
 | 
|---|
| 5 |  *      Author: heber
 | 
|---|
| 6 |  */
 | 
|---|
| 7 | 
 | 
|---|
| 8 | #ifndef WRITEDISTANCEENERGYTABLE_HPP_
 | 
|---|
| 9 | #define WRITEDISTANCEENERGYTABLE_HPP_
 | 
|---|
| 10 | 
 | 
|---|
| 11 | 
 | 
|---|
| 12 | // include config.h
 | 
|---|
| 13 | #ifdef HAVE_CONFIG_H
 | 
|---|
| 14 | #include <config.h>
 | 
|---|
| 15 | #endif
 | 
|---|
| 16 | 
 | 
|---|
| 17 | #include <vector>
 | 
|---|
| 18 | #include <sstream>
 | 
|---|
| 19 | #include <string>
 | 
|---|
| 20 | 
 | 
|---|
| 21 | namespace _detail {
 | 
|---|
| 22 | 
 | 
|---|
| 23 |   typedef std::vector<double> values_t;
 | 
|---|
| 24 |   typedef std::vector< values_t > DistanceEnergyTable_t;
 | 
|---|
| 25 | 
 | 
|---|
| 26 |   /** Gets the number of column entries, i.e. number of rows.
 | 
|---|
| 27 |    *
 | 
|---|
| 28 |    * \note ASSERT's that all columns have equal number of entries
 | 
|---|
| 29 |    *
 | 
|---|
| 30 |    * @param table table to check
 | 
|---|
| 31 |    * @return number of column entries
 | 
|---|
| 32 |    */
 | 
|---|
| 33 |   const size_t checkNumberOfColumnEntries(const DistanceEnergyTable_t &table)
 | 
|---|
| 34 |   {
 | 
|---|
| 35 |     size_t index = table[0].size();
 | 
|---|
| 36 |     for (DistanceEnergyTable_t::const_iterator coliter = table.begin();
 | 
|---|
| 37 |         coliter != table.end(); ++coliter)
 | 
|---|
| 38 |       ASSERT( (*coliter).size() == index,
 | 
|---|
| 39 |           "writeDistanceEnergyTable() - mismatch in column sizes.");
 | 
|---|
| 40 |     return index;
 | 
|---|
| 41 |   }
 | 
|---|
| 42 | 
 | 
|---|
| 43 |   /** Pretty prints the given distance-energy table.
 | 
|---|
| 44 |    *
 | 
|---|
| 45 |    * @param table table to print
 | 
|---|
| 46 |    * @return string containing pretty-printed table
 | 
|---|
| 47 |    */
 | 
|---|
| 48 |   const std::string writeDistanceEnergyTable(const DistanceEnergyTable_t &table)
 | 
|---|
| 49 |   {
 | 
|---|
| 50 |     std::stringstream returnstream;
 | 
|---|
| 51 | 
 | 
|---|
| 52 |     if (table.size() > 0) {
 | 
|---|
| 53 |       /// check each column for equal number of entries
 | 
|---|
| 54 |       const size_t indices = checkNumberOfColumnEntries(table);
 | 
|---|
| 55 | 
 | 
|---|
| 56 |       /// print header line
 | 
|---|
| 57 |       for (size_t index = 0; index < indices-1; ++index)
 | 
|---|
| 58 |         returnstream << std::setprecision(10) << "distance" << index+1 << "\t";
 | 
|---|
| 59 |       returnstream << std::setprecision(10) << "energy" << std::endl;
 | 
|---|
| 60 | 
 | 
|---|
| 61 |       /// print each row
 | 
|---|
| 62 |       for (DistanceEnergyTable_t::const_iterator coliter = table.begin();
 | 
|---|
| 63 |           coliter != table.end(); ++coliter) {
 | 
|---|
| 64 |         for (DistanceEnergyTable_t::value_type::const_iterator rowiter = (*coliter).begin();
 | 
|---|
| 65 |             rowiter != (*coliter).end(); ++rowiter) {
 | 
|---|
| 66 |           returnstream << (*rowiter) << "\t";
 | 
|---|
| 67 |         }
 | 
|---|
| 68 |         returnstream << std::endl;
 | 
|---|
| 69 |       }
 | 
|---|
| 70 |     }
 | 
|---|
| 71 | 
 | 
|---|
| 72 |     return returnstream.str();
 | 
|---|
| 73 |   }
 | 
|---|
| 74 | 
 | 
|---|
| 75 | }; /* namespace _detail */
 | 
|---|
| 76 | 
 | 
|---|
| 77 | #endif /* WRITEDISTANCEENERGYTABLE_HPP_ */
 | 
|---|