--- trunk/src/UseTheForce/ForceField.cpp	2009/11/25 20:02:06	1390
+++ branches/development/src/UseTheForce/ForceField.cpp	2010/12/31 18:31:56	1535
@@ -51,15 +51,13 @@
 #include "UseTheForce/ForceField.hpp"
 #include "utils/simError.h"
 #include "utils/Tuple.hpp"
-#include "UseTheForce/DarkSide/atype_interface.h"
-#include "UseTheForce/DarkSide/fForceOptions_interface.h"
-#include "UseTheForce/DarkSide/switcheroo_interface.h"
 namespace OpenMD {
 
   ForceField::ForceField() { 
+
     char* tempPath; 
     tempPath = getenv("FORCE_PARAM_PATH");
-
+    
     if (tempPath == NULL) {
       //convert a macro from compiler to a string in c++
       STR_DEFINE(ffPath_, FRC_PATH );
@@ -68,16 +66,27 @@ namespace OpenMD {
     }
   }
 
-
-  ForceField::~ForceField() {
-    deleteAtypes();
-    deleteSwitch();
-  }
-
+  /**
+   * getAtomType by string
+   *
+   * finds the requested atom type in this force field using the string
+   * name of the atom type.
+   */
   AtomType* ForceField::getAtomType(const std::string &at) {
     std::vector<std::string> keys;
     keys.push_back(at);
     return atomTypeCont_.find(keys);
+  }
+
+  /**
+   * getAtomType by ident
+   *
+   * finds the requested atom type in this force field using the
+   * integer ident instead of the string name of the atom type.
+   */
+  AtomType* ForceField::getAtomType(int ident) {   
+    std::string at = atypeIdentToName.find(ident)->second;
+    return getAtomType(at);
   }
 
   BondType* ForceField::getBondType(const std::string &at1, 
@@ -442,14 +451,14 @@ namespace OpenMD {
     std::vector<std::string> keys;
     keys.push_back(at1);
     keys.push_back(at2);    
-    
+   
     //try exact match first
     NonBondedInteractionType* nbiType = nonBondedInteractionTypeCont_.find(keys);
     if (nbiType) {
       return nbiType;
     } else {
       //if no exact match found, try wild card match
-      return nonBondedInteractionTypeCont_.find(keys, wildCardAtomTypeName_);
+      return nonBondedInteractionTypeCont_.find(keys, wildCardAtomTypeName_);  
     }    
   }
   
@@ -506,12 +515,14 @@ namespace OpenMD {
   bool ForceField::addAtomType(const std::string &at, AtomType* atomType) {
     std::vector<std::string> keys;
     keys.push_back(at);
+    atypeIdentToName[atomType->getIdent()] = at;
     return atomTypeCont_.add(keys, atomType);
   }
 
   bool ForceField::replaceAtomType(const std::string &at, AtomType* atomType) {
     std::vector<std::string> keys;
     keys.push_back(at);
+    atypeIdentToName[atomType->getIdent()] = at;
     return atomTypeCont_.replace(keys, atomType);
   }
 
@@ -630,9 +641,4 @@ namespace OpenMD {
     return ffStream;
   }
 
-  void ForceField::setFortranForceOptions(){
-    ForceOptions theseFortranOptions;
-    forceFieldOptions_.makeFortranOptions(theseFortranOptions);
-    setfForceOptions(&theseFortranOptions);
-  }
 } //end namespace OpenMD