InteractionsParser.cpp

   1 #include "InteractionsParser.h"
   2 #include "StringTokenizer.h"
   3
   4 #include <algorithm>
   5 #include <iostream>
   6 #include <stdexcept>
   7
   8 InteractionsParser::InteractionsParser(const char *ini_filename)
   9         : _ini(false, true, false)
  10 {
  11         SI_Error rc = _ini.LoadFile(ini_filename);
  12         if (rc < 0)
  13                 throw runtime_error("Failed loading interaction ini file: " +
  14                                 CSimpleIni::str_SI_Error(rc));
  15
  16         const CSimpleIni::TKeyVal *section = _ini.GetSection("Interactions");
  17         if (!section)
  18                 throw runtime_error("Interactions ini file is missing "
  19                                 "'Interactions' section.");
  20
  21         CSimpleIni::TNamesDepend interactionTypes;
  22         _ini.GetAllKeys("Interactions", interactionTypes);
  23
  24         for (CSimpleIni::TNamesDepend::const_iterator key =
  25                         interactionTypes.begin();
  26                         key != interactionTypes.end(); ++key) {
  27
  28                 CSimpleIni::TNamesDepend interactions;
  29                 _ini.GetAllValues("Interactions", key->pItem, interactions);
  30
  31                 for (CSimpleIni::TNamesDepend::const_iterator value =
  32                                 interactions.begin();
  33                                 value != interactions.end(); ++value) {
  34                         parseInteraction(key, value);
  35
  36                 }
  37         }
  38 }
  39
  40 void InteractionsParser::parseInteraction(
  41                 CSimpleIni::TNamesDepend::const_iterator key,
  42                 CSimpleIni::TNamesDepend::const_iterator value)
  43 {
  44         StringTokenizer strtok = StringTokenizer(value->pItem, ",");
  45         int cnt = strtok.countTokens();
  46         if (cnt == 0)
  47                 throw runtime_error("Empty \"" + string(key->pItem)
  48                                 + "\" key.");
  49         Interaction interaction;
  50         interaction.name = "";
  51
  52         for (int i = 0; i < cnt; i++) {
  53                 double x_frac, y_frac; // interactions may be given as absolute coordinates and scaled to unit cell size later!
  54                 string tmp = strtok.nextToken();
  55                 if (sscanf(tmp.c_str(), "%lf/%lf", &x_frac, &y_frac) != 2 ||
  56                                 x_frac < 0 || y_frac < 0) {
  57                         // Treat last tuple as comment
  58                         if (i==cnt-1)
  59                                 interaction.name = tmp;
  60                         else
  61                                 throw runtime_error("Skrewed fraction coordinates: " +
  62                                                 string(tmp));
  63                 }
  64                 interaction.directions.push_back(
  65                                 Direction(x_frac, y_frac));
  66         }
  67         // TODO: check cardinality (trio, etc...)
  68         _interactions.push_back(interaction);
  69 }
  70
  71 Interactions InteractionsParser::getInteractions()
  72 {
  73         // FIXME: auto_ptr
  74         return _interactions;
  75 }
  76