| [04cc7e] | 1 | /*
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 | 2 |  * writeDistanceEnergyTable.hpp
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 | 3 |  *
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 | 4 |  *  Created on: Nov 20, 2012
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 | 5 |  *      Author: heber
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 | 6 |  */
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 | 7 | 
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 | 8 | #ifndef WRITEDISTANCEENERGYTABLE_HPP_
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 | 9 | #define WRITEDISTANCEENERGYTABLE_HPP_
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 | 10 | 
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 | 11 | 
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 | 12 | // include config.h
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 | 13 | #ifdef HAVE_CONFIG_H
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 | 14 | #include <config.h>
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 | 15 | #endif
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 | 16 | 
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 | 17 | #include <vector>
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 | 18 | #include <sstream>
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 | 19 | #include <string>
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 | 20 | 
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 | 21 | namespace _detail {
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 | 22 | 
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 | 23 |   typedef std::vector<double> values_t;
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 | 24 |   typedef std::vector< values_t > DistanceEnergyTable_t;
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 | 25 | 
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 | 26 |   /** Gets the number of column entries, i.e. number of rows.
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 | 27 |    *
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 | 28 |    * \note ASSERT's that all columns have equal number of entries
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 | 29 |    *
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 | 30 |    * @param table table to check
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 | 31 |    * @return number of column entries
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 | 32 |    */
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 | 33 |   const size_t checkNumberOfColumnEntries(const DistanceEnergyTable_t &table)
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 | 34 |   {
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 | 35 |     size_t index = table[0].size();
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 | 36 |     for (DistanceEnergyTable_t::const_iterator coliter = table.begin();
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 | 37 |         coliter != table.end(); ++coliter)
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 | 38 |       ASSERT( (*coliter).size() == index,
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 | 39 |           "writeDistanceEnergyTable() - mismatch in column sizes.");
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 | 40 |     return index;
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 | 41 |   }
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 | 42 | 
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 | 43 |   /** Pretty prints the given distance-energy table.
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 | 44 |    *
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 | 45 |    * @param table table to print
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 | 46 |    * @return string containing pretty-printed table
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 | 47 |    */
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 | 48 |   const std::string writeDistanceEnergyTable(const DistanceEnergyTable_t &table)
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 | 49 |   {
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 | 50 |     std::stringstream returnstream;
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 | 51 | 
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 | 52 |     if (table.size() > 0) {
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 | 53 |       /// check each column for equal number of entries
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 | 54 |       const size_t indices = checkNumberOfColumnEntries(table);
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 | 55 | 
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 | 56 |       /// print header line
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 | 57 |       for (size_t index = 0; index < indices-1; ++index)
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 | 58 |         returnstream << "distance" << index+1 << "\t";
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 | 59 |       returnstream << "energy" << std::endl;
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 | 60 | 
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 | 61 |       /// print each row
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 | 62 |       for (DistanceEnergyTable_t::const_iterator coliter = table.begin();
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 | 63 |           coliter != table.end(); ++coliter) {
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 | 64 |         for (DistanceEnergyTable_t::value_type::const_iterator rowiter = (*coliter).begin();
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 | 65 |             rowiter != (*coliter).end(); ++rowiter) {
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 | 66 |           returnstream << (*rowiter) << "\t";
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 | 67 |         }
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 | 68 |         returnstream << std::endl;
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 | 69 |       }
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 | 70 |     }
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 | 71 | 
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 | 72 |     return returnstream.str();
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 | 73 |   }
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 | 74 | 
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 | 75 | }; /* namespace _detail */
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 | 76 | 
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 | 77 | #endif /* WRITEDISTANCEENERGYTABLE_HPP_ */
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