Changeset d0ab01 for src/Parser/XmlParser.cpp

Timestamp:

Oct 23, 2013, 9:57:07 PM (12 years ago)

Author:

Frederik Heber <heber@…>

Children:

84a644

Parents:

9f51f0

Message:

XmlParser::load() now gives each different charge a different element.

• this allows search&replace to the correct element afterwards.

File:

• src/Parser/XmlParser.cpp (modified) (2 diffs)

src/Parser/XmlParser.cpp

@@ -166 +166 @@
   data.config.epsilon = toString(configuration.attribute("epsilon").value());
 
+  // use a map to at least give each charge a different element
+  typedef std::map<double, atomicNumber_t> charge_map_t;
+  charge_map_t charge_map;
+  size_t last_atomicnumber = 1;
   // particles
   for(pugi::xml_node::iterator iter = configuration.begin();
@@ -177 +181 @@
     LOG(2, "DEBUG: Parsing particle at " << p.position << ".");
     atom * const newAtom = World::getInstance().createAtom();
-    // for the moment each becomes a hydrogen
-    newAtom->setType(World::getInstance().getPeriode()->FindElement((atomicNumber_t)1));
+    charge_map_t::const_iterator chargeiter = charge_map.find(p.q);
+    if (chargeiter == charge_map.end()) {
+      // create new entry and set iter pointing to it
+      std::pair<charge_map_t::const_iterator, bool> inserter =
+          charge_map.insert( std::make_pair( p.q, last_atomicnumber++) );
+      chargeiter = inserter.first;
+    }
+    newAtom->setType(World::getInstance().getPeriode()->FindElement(chargeiter->second));
     newAtom->setPosition(p.position);
     newAtom->setCharge(p.q);